Crystallography Open Database

Information card for entry 4505885

Preview

Coordinates	4505885.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H16 Cd2 N2 O9 S2
Calculated formula	C26 H16 Cd2 N2 O9 S2
Title of publication	Divalent Zinc, Cobalt, and Cadmium Coordination Polymers of a New Flexible Trifunctional Ligand: Syntheses, Crystal Structures, and Properties
Authors of publication	Zang, Shuang-Quan; Cao, Li-Hui; Liang, Ran; Hou, Hong-Wei; Mak, Thomas C. W.
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	4
Pages of publication	1830
a	19.436 ± 0.006 Å
b	14.183 ± 0.003 Å
c	10.148 ± 0.002 Å
α	90°
β	110.1 ± 0.03°
γ	90°
Cell volume	2627 ± 1.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.1158
Weighted residual factors for all reflections included in the refinement	0.1218
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4505885.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505885.cif
57360	2012-05-18	cif/ Adding structures of 4505883, 4505884, 4505885 via cif-deposit CGI script.	4505885.cif