Crystallography Open Database

Information card for entry 1543484

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Structure parameters

Chemical name	<i>catena</i>-Poly[[sodium-di-μ-aqua-μ-(boric acid)-μ-succinato-sodium-di-μ-aqua] boric acid monosolvate]
Formula	C4 H18 B2 Na2 O14
Calculated formula	C4 H18 B2 Na2 O14
SMILES	B(O)(O)O.[Na+].O.[Na+].O.O.B(O)(O)O.C(=O)(CCC(=O)[O-])[O-].O
Title of publication	<i>catena</i>-Poly[[sodium-di-μ-aqua-μ-(boric acid)-μ-succinato-sodium-di-μ-aqua] boric acid monosolvate]
Authors of publication	Rajasekar, Gunasekaran; Vinothkumar, Panchanathan; Sudhahar, Sakkarapani; Chakkaravarthi, Ganesan; Bhaskaran, Arumugam
Journal of publication	IUCrData
Year of publication	2016
Journal volume	1
Journal issue	6
Pages of publication	x160948
a	7.8524 ± 0.0004 Å
b	14.8559 ± 0.0009 Å
c	12.6646 ± 0.0006 Å
α	90°
β	96.964 ± 0.005°
γ	90°
Cell volume	1466.48 ± 0.14 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1153
Residual factor for significantly intense reflections	0.0687
Weighted residual factors for significantly intense reflections	0.1338
Weighted residual factors for all reflections included in the refinement	0.1641
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
183696 (current)	2016-06-18	cif/ hkl/ Adding structures of 1543484 via cif-deposit CGI script.	1543484.cif 1543484.hkl