Crystallography Open Database

Information card for entry 2238878

Preview

Coordinates	2238878.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Poly[di-μ~9~-citrato-tetrasodiumzinc]
Formula	C12 H10 Na4 O14 Zn
Calculated formula	C12 H10 Na4 O14 Zn
SMILES	C(=O)(CC12C(=O)O[Zn]34(OC(=O)C1)([OH]2)OC(=O)C(CC(=O)[O-])(CC(=O)O3)[OH]4)[O-].[Na+].[Na+].[Na+].[Na+]
Title of publication	Poly[di-μ~9~-citrato-tetrasodiumzinc]
Authors of publication	Ma, Yu-Hong; Yang, Hong-Wei; Hao, Jing-Tuan; Ma, Pi-Zhuang; Yao, Ting
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	12
Pages of publication	m672
a	7.9642 ± 0.0016 Å
b	12.53 ± 0.003 Å
c	8.709 ± 0.0017 Å
α	90°
β	113.66 ± 0.03°
γ	90°
Cell volume	796 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0712
Weighted residual factors for all reflections included in the refinement	0.0745
Goodness-of-fit parameter for all reflections included in the refinement	1.149
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238878.cif
92210	2014-01-12	cif/ Adding structures of 2238878 via cif-deposit CGI script.	2238878.cif