Crystallography Open Database

Information card for entry 8102450

Preview

Coordinates	8102450.cif

Structure parameters

Chemical name	poly[di-μ-1,3-bis(4-pyridyl)propane-di- chloride-Cadmium(II) dihydrate], [[CdCl~2~(C~13~H~14~N~2~) ~2~]^.^2(H~2~O)]~n~
Formula	C26 H32 Cd Cl2 N4 O2
Calculated formula	C26 H32 Cd Cl2 N4 O2
Title of publication	Crystal structure of bis(m-1,3-bis(4-pyridyl)propane)cadium(II) dichloride dihydrate, Cd(C13H14N2)2Cl2 · 2H2O
Authors of publication	Shan Hu; Li-Jun Jiang; Xin-Hua Li
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	1
Pages of publication	134
a	17.576 ± 0.002 Å
b	17.576 ± 0.002 Å
c	42.923 ± 0.011 Å
α	90°
β	90°
γ	90°
Cell volume	13260 ± 4 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1305
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.0897
Weighted residual factors for all reflections included in the refinement	0.1046
Goodness-of-fit parameter for all reflections included in the refinement	0.989
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.	8102450.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102450.cif
13189	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102450 via cif-deposit CGI script.	8102450.cif