catena-Poly[[sodium-di-μ-aqua-μ-(boric acid)-μ-succinato-sodium-di-μ-aqua] boric acid monosolvate]

Rajasekar, G.; Vinothkumar, P.; Sudhahar, S.; Chakkaravarthi, G.; Bhaskaran, A.

doi:10.1107/S2414314616009482

metal-organic compounds

IUCrDATA

ISSN: 2414-3146

Volume 1| Part 6| June 2016| x160948

doi:10.1107/S2414314616009482

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catena-Poly[[sodium-di-μ-aqua-μ-(boric acid)-μ-succinato-sodium-di-μ-aqua] boric acid monosolvate]

Gunasekaran Rajasekar,^a Panchanathan Vinothkumar,^a Sakkarapani Sudhahar,^b Ganesan Chakkaravarthi ^c ^* and Arumugam Bhaskaran ^a ^*

^aDepartment of Physics, Presidency College, Chennai 600 005, India, ^bDepartment of Physics, Alagappa University, Karaikkudi 630 003, India, and ^cDepartment of Physics, CPCL Polytechnic College, Chennai 600 068, India
^*Correspondence e-mail: chakkaravarthi_2005@yahoo.com, abhaskaran_68@yahoo.co.in

Edited by M. Weil, Vienna University of Technology, Austria (Received 12 May 2016; accepted 11 June 2016; online 17 June 2016)

The title polymeric compound, {[Na₂(C₄H₄O₄)(H₃BO₃)(H₂O)₄]·H₃BO₃}_n, comprises [101] chains of edge-sharing [NaO₆] octahedra flanked by succinate and boric acid ligands. An intricate three-dimensional network is formed by O—H⋯O hydrogen bonds involving all components of the crystal. The crystal investigated was a non-merohedral twin; major component = 83%.

Keywords: crystal structure; boric acid ligand; inorganic-organic hybrid structure; hydrogen bonding.

CCDC reference: 1484699

Structure description

Owing to their rich structural chemistry and potential applications in mineralogy (Grice et al., 1999 ) and nonlinear optical materials (Touboul et al., 2003 ), borates have provided an abounding area of research for over half a century. Hence, borates with various main groups and transition metals have been widely explored. However, less work has been carried out on inorganic–organic hybrid borates.

The asymmetric unit of the title compound contains two Na⁺ cations (Na1 and Na2) which are octahedrally coordinated. Both cations are bonded to four bridging water molecules, one carboxylate O atom of the succinate anion and one O atom of a non-deprotonated boric acid ligand. In the crystal, the [NaO₆] octahedra are linked through edge-sharing into chains extending parallel to [101] (Fig. 1). The succinato and boric acid ligands additionally bridge these chains. A pair of O—H⋯O hydrogen bonds [O5—H5⋯O7ⁱⁱⁱ; O9—H9⋯O11ⁱⁱⁱ; for the symmetry code, see: Table 1] generates an R₂²(8) ring motif. The chains exhibit intrachain hydrogen bonding and are linked through the boric acid solvent molecules by other O—H⋯O hydrogen bonds into a three-dimensional network (Table 1 and Fig. 2). Structures with boric acid as a solvent molecule with hydrogen-bonded networks have been reported by Li et al. (1999 ) and Shao et al., (2010 ). Bond lengths and angles of the succinate anion in the title structure are comparable with those of a related structure (Sarr et al., 2015 ).

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1—H1A⋯O12ⁱ	0.84 (1)	2.01 (1)	2.825 (2)	166 (2)
O1—H1B⋯O11ⁱⁱ	0.85 (1)	2.00 (1)	2.825 (2)	164 (3)
O2—H2C⋯O14ⁱⁱⁱ	0.82 (1)	2.23 (1)	3.045 (2)	176 (2)
O2—H2D⋯O10^iv	0.81 (1)	2.01 (1)	2.822 (2)	175 (3)
O3—H3C⋯O14^v	0.82 (1)	2.02 (1)	2.840 (2)	173 (3)
O3—H3D⋯O10^vi	0.83 (1)	2.21 (1)	3.035 (2)	172 (3)
O4—H4A⋯O11^iv	0.83 (1)	2.12 (2)	2.923 (2)	164 (4)
O4—H4B⋯O12ⁱⁱⁱ	0.82 (1)	2.01 (1)	2.818 (2)	169 (2)
O5—H5⋯O7ⁱⁱⁱ	0.83 (1)	1.87 (1)	2.6888 (18)	173 (2)
O8—H8⋯O13^vii	0.83 (1)	1.89 (1)	2.711 (2)	174 (2)
O9—H9⋯O11ⁱⁱⁱ	0.82 (1)	1.79 (1)	2.6044 (18)	176 (2)
O12—H12⋯O10^iv	0.82 (1)	1.83 (1)	2.6261 (18)	167 (2)
O13—H13⋯O6^iv	0.81 (1)	1.81 (1)	2.6113 (19)	172 (3)
O14—H14⋯O9^viii	0.83 (1)	1.81 (1)	2.6384 (19)	175 (2)
Symmetry codes: (i) $[x+{\script{1\over 2}}, -y+{\script{1\over 2}}, z-{\script{1\over 2}}]$ ; (ii) -x+1, -y, -z+1; (iii) $[x-{\script{1\over 2}}, -y+{\script{1\over 2}}, z-{\script{1\over 2}}]$ ; (iv) -x, -y, -z+1; (v) x, y, z-1; (vi) $[-x+{\script{1\over 2}}, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]$ ; (vii) $[-x+{\script{1\over 2}}, y+{\script{1\over 2}}, -z+{\script{3\over 2}}]$ ; (viii) $[-x+{\script{1\over 2}}, y-{\script{1\over 2}}, -z+{\script{3\over 2}}]$ .

Figure 1
The chain structure of the title compound, with atom labelling and displacement ellipsoids drawn at the 30% probability level. [Symmetry codes: (a) x − $[{1\over 2}]$ , −y + $[{1\over 2}]$ , z − $[{1\over 2}]$ ; (b) x + $[{1\over 2}]$ , −y + $[{1\over 2}]$ , z + $[{1\over 2}]$ .]

Figure 2
The crystal packing of the title compound viewed along the b axis. O—H⋯O hydrogen bonds are shown as dashed lines.

Synthesis and crystallization

A mixture of boric acid (1.24 g; 0.02 mol) and succinic acid (1.18 g; 0.01 mol) in deionized water was heated at 353 K in a round bottom flask attached with a reflux condenser for 6 h. Then the temperature was reduced to 313 K before sodium carbonate (1.06 g; 0.01 mol) was added in small portions to the solution that was stirred for about 12 h. The resulting homogeneous solution was filtered through filter paper and was allowed to evaporate at a constant temperature of 313 K using a temperature bath. After a period of 9 to 10 weeks, crystals suitable for X-ray diffraction could be harvested.

Refinement

Crystal data, data collection and structure refinement details are summarized in Table 2. Anisotropic displacement parameters of atoms O8, B1 and O10, C1 were restrained within 0.001 Å² by using the DELU command in SHELXL (Sheldrick, 2008 ). The crystal investigated was refined under consideration as a two-component twin by non-merohedry. The twin ratio refined to a value of 0.83:0.17.

Table 2
Experimental details

Crystal data
Chemical formula	[Na₂(C₄H₄O₄)(BH₃O₃)(H₂O)₄]·BH₃O₃
M_r	357.78
Crystal system, space group	Monoclinic, P2₁/n
Temperature (K)	295
a, b, c (Å)	7.8524 (4), 14.8559 (9), 12.6646 (6)
β (°)	96.964 (5)
V (Å³)	1466.48 (14)
Z	4
Radiation type	Mo Kα
μ (mm⁻¹)	0.21
Crystal size (mm)	0.30 × 0.24 × 0.20

Data collection
Diffractometer	Bruker Kappa APEXII CCD
Absorption correction	Multi-scan (TWINABS; Bruker, 2012 )
T_min, T_max	0.941, 0.960
No. of measured, independent and observed [I > 2σ(I)] reflections	24155, 24155, 14052
R_int	0.000
(sin θ/λ)_max (Å⁻¹)	0.597

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.069, 0.164, 1.09
No. of reflections	24155
No. of parameters	257
No. of restraints	16
H-atom treatment	H atoms treated by a mixture of independent and constrained refinement
Δρ_max, Δρ_min (e Å⁻³)	0.53, −0.44
Computer programs: APEX2 and SAINT (Bruker, 2004 ), SHELXS97 and SHELXL97 (Sheldrick, 2008) and PLATON (Spek, 2009 ).

Structural data

CCDC reference: 1484699

Crystal structure: contains datablocks I, global. DOI: 10.1107/S2414314616009482/wm4014sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S2414314616009482/wm4014Isup2.hkl

checkCIF report

Computing details top

Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT (Bruker, 2004); data reduction: SAINT (Bruker, 2004); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: PLATON (Spek, 2009); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008) and PLATON (Spek, 2009).

catena-Poly[[sodium-di-µ-aqua-µ-(boric acid)-µ-succinato-sodium-di-µ-aqua] boric acid monosolvate] top

Crystal data top

[Na₂(C₄H₄O₄)(BH₃O₃)(H₂O)₄]·BH₃O₃	F(000) = 744
M_r = 357.78	D_x = 1.621 Mg m⁻³
Monoclinic, P2₁/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 9068 reflections
a = 7.8524 (4) Å	θ = 2.7–23.6°
b = 14.8559 (9) Å	µ = 0.21 mm⁻¹
c = 12.6646 (6) Å	T = 295 K
β = 96.964 (5)°	Block, colourless
V = 1466.48 (14) Å³	0.30 × 0.24 × 0.20 mm
Z = 4

Data collection top

Bruker Kappa APEXII CCD diffractometer	24155 independent reflections
Radiation source: fine-focus sealed tube	14052 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.000
ω and φ scan	θ_max = 25.1°, θ_min = 2.1°
Absorption correction: multi-scan (TWINABS; Bruker, 2012)	h = −9→9
T_min = 0.941, T_max = 0.960	k = −17→17
24155 measured reflections	l = −15→15

Refinement top

Refinement on F²	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F² > 2σ(F²)] = 0.069	H atoms treated by a mixture of independent and constrained refinement
wR(F²) = 0.164	w = 1/[σ²(F_o²) + (0.0211P)² + 6.2176P] where P = (F_o² + 2F_c²)/3
S = 1.09	(Δ/σ)_max < 0.001
24155 reflections	Δρ_max = 0.53 e Å⁻³
257 parameters	Δρ_min = −0.44 e Å⁻³
16 restraints	Extinction correction: SHELXL97 (Sheldrick, 2008), Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.00222 (15)

Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
C1	0.1246 (2)	−0.02094 (12)	0.36401 (15)	0.0295 (4)
C2	0.2195 (2)	0.01759 (12)	0.46482 (15)	0.0342 (5)
H2A	0.3162	0.0521	0.4458	0.041*
H2B	0.1435	0.0593	0.4950	0.041*
C3	0.2852 (3)	−0.04843 (12)	0.54944 (15)	0.0369 (5)
H3A	0.3621	−0.0903	0.5204	0.044*
H3B	0.1894	−0.0827	0.5701	0.044*
C4	0.3792 (2)	−0.00422 (13)	0.64725 (15)	0.0318 (5)
B1	0.1614 (3)	0.41227 (15)	0.39628 (17)	0.0341 (6)
B2	0.1553 (3)	0.09750 (15)	0.88974 (17)	0.0300 (5)
O1	0.37630 (19)	0.19833 (11)	0.37142 (12)	0.0371 (4)
O2	0.0207 (2)	0.21732 (12)	0.49534 (13)	0.0413 (4)
O3	0.1223 (2)	0.24810 (12)	0.12148 (13)	0.0433 (4)
O4	−0.21781 (19)	0.20360 (12)	0.23010 (12)	0.0394 (4)
O9	0.1317 (2)	0.50134 (9)	0.38965 (11)	0.0417 (4)
O5	0.08776 (19)	0.35194 (9)	0.32262 (11)	0.0393 (4)
O8	0.2674 (2)	0.37719 (10)	0.47929 (11)	0.0441 (4)
O6	0.06469 (18)	0.03609 (8)	0.29602 (10)	0.0442 (4)
O10	0.10757 (17)	−0.10483 (8)	0.35306 (10)	0.0352 (3)
O7	0.38951 (17)	0.07937 (9)	0.65379 (10)	0.0402 (4)
O11	0.44516 (17)	−0.05839 (8)	0.71869 (10)	0.0378 (4)
O12	0.09010 (19)	0.16059 (9)	0.81646 (11)	0.0370 (4)
O13	0.1246 (2)	0.00877 (9)	0.87999 (12)	0.0432 (4)
O14	0.25890 (19)	0.13058 (9)	0.97609 (11)	0.0389 (4)
Na1	0.07984 (10)	0.19493 (5)	0.30174 (6)	0.0365 (2)
Na2	0.32232 (10)	0.22915 (5)	0.55892 (6)	0.0401 (2)
H1A	0.428 (3)	0.2458 (10)	0.360 (2)	0.081 (10)*
H1B	0.446 (3)	0.1637 (15)	0.346 (2)	0.107 (12)*
H2C	−0.048 (3)	0.2588 (12)	0.4929 (19)	0.066 (9)*
H2D	−0.020 (4)	0.1874 (16)	0.5400 (18)	0.107 (13)*
H3C	0.162 (3)	0.2105 (13)	0.0836 (18)	0.077 (10)*
H3D	0.188 (3)	0.2916 (13)	0.131 (2)	0.109 (13)*
H4A	−0.268 (5)	0.1556 (15)	0.240 (4)	0.24 (2)*
H4B	−0.264 (2)	0.2419 (10)	0.2627 (14)	0.029 (6)*
H5	0.027 (2)	0.3771 (13)	0.2735 (13)	0.058 (8)*
H8	0.306 (3)	0.4183 (12)	0.5194 (16)	0.080 (9)*
H12	0.031 (3)	0.1355 (14)	0.7680 (14)	0.074 (9)*
H13	0.075 (3)	−0.0056 (15)	0.8227 (11)	0.080 (9)*
H14	0.291 (3)	0.0877 (10)	1.0157 (14)	0.055 (8)*
H9	0.069 (2)	0.5193 (14)	0.3373 (12)	0.068 (8)*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
C1	0.0335 (12)	0.0268 (8)	0.0264 (11)	−0.0020 (9)	−0.0041 (9)	−0.0013 (9)
C2	0.0378 (12)	0.0273 (11)	0.0329 (12)	−0.0043 (9)	−0.0143 (9)	0.0004 (9)
C3	0.0444 (13)	0.0315 (12)	0.0316 (12)	−0.0057 (10)	−0.0080 (10)	−0.0037 (9)
C4	0.0362 (13)	0.0281 (12)	0.0290 (11)	−0.0001 (9)	−0.0046 (9)	−0.0038 (9)
B1	0.0509 (16)	0.0244 (13)	0.0249 (12)	−0.0006 (11)	−0.0041 (9)	0.0036 (9)
B2	0.0390 (14)	0.0258 (13)	0.0238 (12)	0.0012 (10)	−0.0022 (10)	−0.0037 (9)
O1	0.0373 (9)	0.0296 (9)	0.0437 (9)	−0.0029 (8)	0.0024 (7)	0.0058 (7)
O2	0.0407 (10)	0.0381 (10)	0.0445 (10)	0.0016 (8)	0.0026 (8)	0.0026 (8)
O3	0.0455 (11)	0.0465 (11)	0.0371 (10)	−0.0040 (9)	0.0015 (8)	−0.0044 (8)
O4	0.0386 (9)	0.0385 (10)	0.0409 (9)	0.0039 (8)	0.0036 (7)	−0.0013 (8)
O9	0.0624 (11)	0.0236 (8)	0.0326 (9)	0.0031 (7)	−0.0205 (8)	−0.0004 (6)
O5	0.0528 (10)	0.0274 (8)	0.0323 (9)	0.0040 (7)	−0.0174 (7)	−0.0022 (6)
O8	0.0639 (11)	0.0274 (9)	0.0348 (8)	0.0053 (7)	−0.0184 (7)	0.0007 (7)
O6	0.0649 (11)	0.0272 (8)	0.0339 (8)	−0.0020 (7)	−0.0210 (7)	0.0012 (6)
O10	0.0489 (9)	0.0232 (6)	0.0302 (8)	0.0013 (6)	−0.0091 (6)	−0.0009 (6)
O7	0.0532 (10)	0.0276 (8)	0.0356 (8)	0.0011 (7)	−0.0124 (7)	−0.0030 (6)
O11	0.0529 (9)	0.0273 (8)	0.0290 (8)	0.0015 (7)	−0.0122 (7)	−0.0008 (6)
O12	0.0547 (10)	0.0232 (8)	0.0294 (8)	0.0014 (7)	−0.0100 (7)	−0.0007 (6)
O13	0.0660 (11)	0.0247 (8)	0.0329 (9)	−0.0023 (7)	−0.0175 (8)	−0.0021 (7)
O14	0.0529 (10)	0.0267 (9)	0.0326 (8)	−0.0007 (7)	−0.0132 (7)	−0.0020 (7)
Na1	0.0379 (5)	0.0293 (5)	0.0395 (5)	−0.0016 (4)	−0.0062 (4)	−0.0003 (4)
Na2	0.0425 (5)	0.0421 (5)	0.0328 (5)	0.0004 (4)	−0.0077 (4)	−0.0043 (4)

Geometric parameters (Å, º) top

C1—O6	1.258 (2)	O2—H2C	0.816 (9)
C1—O10	1.259 (2)	O2—H2D	0.814 (9)
C1—C2	1.511 (2)	O3—Na2ⁱ	2.4161 (19)
C2—C3	1.497 (2)	O3—Na1	2.4761 (18)
C2—H2A	0.9700	O3—H3C	0.822 (9)
C2—H2B	0.9700	O3—H3D	0.828 (9)
C3—C4	1.513 (2)	O4—Na1	2.4059 (17)
C3—H3A	0.9700	O4—Na2ⁱ	2.4419 (17)
C3—H3B	0.9700	O4—H4A	0.830 (10)
C4—O7	1.247 (2)	O4—H4B	0.815 (9)
C4—O11	1.273 (2)	O9—H9	0.820 (9)
B1—O9	1.345 (2)	O5—Na1	2.3474 (15)
B1—O8	1.363 (3)	O5—H5	0.826 (9)
B1—O5	1.370 (3)	O8—Na2	2.4361 (16)
B2—O13	1.343 (2)	O8—H8	0.829 (9)
B2—O14	1.372 (2)	O6—Na1	2.3634 (14)
B2—O12	1.374 (3)	O7—Na2	2.5533 (15)
O1—Na1	2.3879 (17)	O12—H12	0.815 (9)
O1—Na2	2.5044 (17)	O13—H13	0.810 (9)
O1—H1A	0.836 (9)	O14—H14	0.831 (9)
O1—H1B	0.845 (9)	Na1—Na2	3.6039 (11)
O2—Na2	2.4135 (18)	Na1—Na2ⁱ	3.6483 (11)
O2—Na1	2.5716 (18)

O6—C1—O10	124.41 (17)	Na1—O4—H4B	108.8 (15)
O6—C1—C2	115.38 (16)	Na2ⁱ—O4—H4B	106.2 (14)
O10—C1—C2	120.20 (16)	H4A—O4—H4B	106 (3)
C3—C2—C1	116.65 (15)	B1—O9—H9	117.0 (16)
C3—C2—H2A	108.1	B1—O5—Na1	136.87 (13)
C1—C2—H2A	108.1	B1—O5—H5	111.9 (15)
C3—C2—H2B	108.1	Na1—O5—H5	111.1 (15)
C1—C2—H2B	108.1	B1—O8—Na2	136.51 (14)
H2A—C2—H2B	107.3	B1—O8—H8	109.7 (17)
C2—C3—C4	113.16 (16)	Na2—O8—H8	112.1 (17)
C2—C3—H3A	108.9	C1—O6—Na1	129.66 (12)
C4—C3—H3A	108.9	C4—O7—Na2	145.98 (12)
C2—C3—H3B	108.9	B2—O12—H12	109.2 (17)
C4—C3—H3B	108.9	B2—O13—H13	113.8 (17)
H3A—C3—H3B	107.8	B2—O14—H14	108.4 (16)
O7—C4—O11	124.39 (17)	O5—Na1—O6	174.95 (6)
O7—C4—C3	120.54 (17)	O5—Na1—O1	85.76 (6)
O11—C4—C3	115.07 (16)	O6—Na1—O1	94.34 (6)
O9—B1—O8	120.64 (19)	O5—Na1—O4	90.03 (6)
O9—B1—O5	123.06 (19)	O6—Na1—O4	89.94 (6)
O8—B1—O5	116.30 (19)	O1—Na1—O4	175.69 (7)
O13—B2—O14	120.48 (18)	O5—Na1—O3	77.42 (6)
O13—B2—O12	124.03 (18)	O6—Na1—O3	107.58 (6)
O14—B2—O12	115.49 (18)	O1—Na1—O3	95.73 (6)
Na1—O1—Na2	94.86 (6)	O4—Na1—O3	82.44 (6)
Na1—O1—H1A	115.2 (18)	O5—Na1—O2	76.67 (6)
Na2—O1—H1A	98.8 (18)	O6—Na1—O2	98.29 (6)
Na1—O1—H1B	120 (2)	O1—Na1—O2	85.73 (6)
Na2—O1—H1B	132 (2)	O4—Na1—O2	94.20 (6)
H1A—O1—H1B	95 (2)	O3—Na1—O2	153.87 (7)
Na2—O2—Na1	92.54 (6)	O2—Na2—O3ⁱⁱ	176.13 (7)
Na2—O2—H2C	124.9 (18)	O2—Na2—O8	79.06 (6)
Na1—O2—H2C	104.8 (17)	O3ⁱⁱ—Na2—O8	97.25 (6)
Na2—O2—H2D	105 (2)	O2—Na2—O4ⁱⁱ	95.68 (6)
Na1—O2—H2D	136 (2)	O3ⁱⁱ—Na2—O4ⁱⁱ	82.95 (6)
H2C—O2—H2D	97 (2)	O8—Na2—O4ⁱⁱ	87.86 (6)
Na2ⁱ—O3—Na1	96.44 (6)	O2—Na2—O1	86.70 (6)
Na2ⁱ—O3—H3C	109.1 (18)	O3ⁱⁱ—Na2—O1	93.80 (6)
Na1—O3—H3C	115.1 (19)	O8—Na2—O1	79.30 (6)
Na2ⁱ—O3—H3D	121 (2)	O4ⁱⁱ—Na2—O1	166.28 (7)
Na1—O3—H3D	105 (2)	O2—Na2—O7	103.41 (6)
H3C—O3—H3D	110 (3)	O3ⁱⁱ—Na2—O7	80.21 (6)
Na1—O4—Na2ⁱ	97.63 (6)	O8—Na2—O7	176.09 (6)
Na1—O4—H4A	111 (3)	O4ⁱⁱ—Na2—O7	88.87 (6)
Na2ⁱ—O4—H4A	127 (3)	O1—Na2—O7	103.76 (5)

O6—C1—C2—C3	177.20 (18)	Na2ⁱ—O4—Na1—O2	148.34 (6)
O10—C1—C2—C3	−1.7 (3)	Na2ⁱ—O3—Na1—O5	−86.09 (6)
C1—C2—C3—C4	179.70 (17)	Na2ⁱ—O3—Na1—O6	93.17 (7)
C2—C3—C4—O7	3.1 (3)	Na2ⁱ—O3—Na1—O1	−170.43 (7)
C2—C3—C4—O11	−176.34 (17)	Na2ⁱ—O3—Na1—O4	5.64 (6)
O9—B1—O5—Na1	−174.98 (14)	Na2ⁱ—O3—Na1—O2	−78.46 (15)
O8—B1—O5—Na1	4.3 (3)	Na2—O2—Na1—O5	−83.43 (6)
O9—B1—O8—Na2	162.69 (15)	Na2—O2—Na1—O6	96.98 (6)
O5—B1—O8—Na2	−16.6 (3)	Na2—O2—Na1—O1	3.22 (6)
O10—C1—O6—Na1	179.34 (13)	Na2—O2—Na1—O4	−172.46 (7)
C2—C1—O6—Na1	0.5 (3)	Na2—O2—Na1—O3	−91.08 (14)
O11—C4—O7—Na2	175.26 (14)	Na1—O2—Na2—O8	76.67 (6)
C3—C4—O7—Na2	−4.1 (4)	Na1—O2—Na2—O4ⁱⁱ	163.38 (6)
B1—O5—Na1—O1	−39.8 (2)	Na1—O2—Na2—O1	−3.06 (6)
B1—O5—Na1—O4	141.1 (2)	Na1—O2—Na2—O7	−106.42 (6)
B1—O5—Na1—O3	−136.7 (2)	B1—O8—Na2—O2	−31.8 (2)
B1—O5—Na1—O2	46.8 (2)	B1—O8—Na2—O3ⁱⁱ	149.4 (2)
C1—O6—Na1—O1	43.80 (18)	B1—O8—Na2—O4ⁱⁱ	−128.0 (2)
C1—O6—Na1—O4	−136.74 (17)	B1—O8—Na2—O1	56.9 (2)
C1—O6—Na1—O3	141.21 (17)	Na1—O1—Na2—O2	3.31 (6)
C1—O6—Na1—O2	−42.50 (18)	Na1—O1—Na2—O3ⁱⁱ	−172.84 (6)
Na2—O1—Na1—O5	73.82 (6)	Na1—O1—Na2—O8	−76.18 (6)
Na2—O1—Na1—O6	−101.12 (6)	Na1—O1—Na2—O4ⁱⁱ	−97.1 (3)
Na2—O1—Na1—O3	150.70 (6)	Na1—O1—Na2—O7	106.31 (6)
Na2—O1—Na1—O2	−3.11 (6)	C4—O7—Na2—O2	51.3 (2)
Na2ⁱ—O4—Na1—O5	71.71 (6)	C4—O7—Na2—O3ⁱⁱ	−130.1 (2)
Na2ⁱ—O4—Na1—O6	−113.35 (6)	C4—O7—Na2—O4ⁱⁱ	146.9 (2)
Na2ⁱ—O4—Na1—O3	−5.60 (6)	C4—O7—Na2—O1	−38.5 (2)

Symmetry codes: (i) x−1/2, −y+1/2, z−1/2; (ii) x+1/2, −y+1/2, z+1/2.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1A···O12ⁱⁱⁱ	0.84 (1)	2.01 (1)	2.825 (2)	166 (2)
O1—H1B···O11^iv	0.85 (1)	2.00 (1)	2.825 (2)	164 (3)
O2—H2C···O14ⁱ	0.82 (1)	2.23 (1)	3.045 (2)	176 (2)
O2—H2D···O10^v	0.81 (1)	2.01 (1)	2.822 (2)	175 (3)
O3—H3C···O14^vi	0.82 (1)	2.02 (1)	2.840 (2)	173 (3)
O3—H3D···O10^vii	0.83 (1)	2.21 (1)	3.035 (2)	172 (3)
O4—H4A···O11^v	0.83 (1)	2.12 (2)	2.923 (2)	164 (4)
O4—H4B···O12ⁱ	0.82 (1)	2.01 (1)	2.818 (2)	169 (2)
O5—H5···O7ⁱ	0.83 (1)	1.87 (1)	2.6888 (18)	173 (2)
O8—H8···O13^viii	0.83 (1)	1.89 (1)	2.711 (2)	174 (2)
O9—H9···O11ⁱ	0.82 (1)	1.79 (1)	2.6044 (18)	176 (2)
O12—H12···O10^v	0.82 (1)	1.83 (1)	2.6261 (18)	167 (2)
O13—H13···O6^v	0.81 (1)	1.81 (1)	2.6113 (19)	172 (3)
O14—H14···O9^ix	0.83 (1)	1.81 (1)	2.6384 (19)	175 (2)

Symmetry codes: (i) x−1/2, −y+1/2, z−1/2; (iii) x+1/2, −y+1/2, z−1/2; (iv) −x+1, −y, −z+1; (v) −x, −y, −z+1; (vi) x, y, z−1; (vii) −x+1/2, y+1/2, −z+1/2; (viii) −x+1/2, y+1/2, −z+3/2; (ix) −x+1/2, y−1/2, −z+3/2.

Acknowledgements

The authors acknowledge the SAIF, IIT, Madras, for the data collection.

References

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ISSN: 2414-3146

Volume 1| Part 6| June 2016| x160948

doi:10.1107/S2414314616009482

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metal-organic compounds\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

catena-Poly[[sodium-di-μ-aqua-μ-(boric acid)-μ-succinato-sodium-di-μ-aqua] boric acid monosolvate]

Structure description

Synthesis and crystallization

Refinement

Structural data

Acknowledgements

References

metal-organic compounds