Crystallography Open Database

Information card for entry 2228076

Preview

Structure parameters

Chemical name	<i>catena</i>-Poly[[[di-μ-aqua-μ-fumarato-μ-(boric acid)-disodium]-di-μ-aqua] boric acid monosolvate]
Formula	C4 H16 B2 Na2 O14
Calculated formula	C4 H16 B2 Na2 O14
SMILES	B(O)(O)O.B(O)(O)O.C(=O)(/C=C/C(=O)[O-])[O-].[Na+].[Na+].O.O.O.O
Title of publication	A novel inorganic‒organic hybrid borate, poly{[Na~2~(C~4~H~2~O~4~)(H~3~BO~3~)(H~2~O)~4~]·H~3~BO~3~}
Authors of publication	Shao, Zhi-Dong; Zhang, Yu-Qi; Wu, Shu-Li; Liang, Yun-Xiao
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	11
Pages of publication	m1460 - m1461
a	14.116 ± 0.003 Å
b	6.9347 ± 0.0014 Å
c	14.997 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1468.1 ± 0.5 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0446
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0949
Weighted residual factors for all reflections included in the refinement	0.1028
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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
181201 (current)	2016-04-03	hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/80.	2228076.cif 2228076.hkl
176789	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22.	2228076.cif 2228076.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2228076.cif 2228076.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2228076.cif 2228076.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2228076.cif 2228076.hkl
5269	2010-12-22	hkl/ Adding Fobs data for the recent IUCr-published structres.	2228076.cif 2228076.hkl
5113	2010-12-18	../uploads/cif-deposit/cod/cif Adding structures of 2228076 via cif-deposit CGI script.	2228076.cif