Crystallography Open Database

Information card for entry 8102349

Preview

Coordinates	8102349.cif

Structure parameters

Formula	C22 H32 Cd N6 O12 S4
Calculated formula	C22 H32 Cd N6 O12 S4
Title of publication	Crystal structure of diaqua-bis(4,4'-dipyridyldisulfide)cadmium(II) dinitrate - methanol - water (1:2:2), [Cd(C10H8N2S2)2(H2O)2][NO3]2 · 2CH3OH · 2H2O
Authors of publication	Long Yan
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2008
Journal volume	223
Journal issue	4
Pages of publication	533
a	9.502 ± 0.0012 Å
b	19.628 ± 0.002 Å
c	9.7525 ± 0.0013 Å
α	90°
β	110.245 ± 0.002°
γ	90°
Cell volume	1706.5 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
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	0.0463
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0707
Weighted residual factors for all reflections included in the refinement	0.0786
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8102349.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102349.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102349.cif
13088	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102349 via cif-deposit CGI script.	8102349.cif