Crystallography Open Database

Information card for entry 1517038

Preview

Coordinates	1517038.cif

Structure parameters

Formula	C20 H25 Cd N6 O10.5
Calculated formula	C20 H25 Cd N6 O10.5
Title of publication	Structural variations in the complexes of cadmium(II), hexamethylenetetramine, and 2-, 3- and 4-nitrobenzoates
Authors of publication	Shantanu Hazra; Biswarup Sarkar; Subrata Naiya; Michael G.B. Drew; Ashutosh Ghosh
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	402
Pages of publication	12 - 19
a	7.2297 ± 0.0004 Å
b	12.8247 ± 0.0007 Å
c	13.4064 ± 0.0008 Å
α	73.407 ± 0.002°
β	82.355 ± 0.003°
γ	81.246 ± 0.002°
Cell volume	1172.11 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0618
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.1846
Weighted residual factors for all reflections included in the refinement	0.1922
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1517038.cif
119947	2014-07-10	cif/ Adding structures of 1517038 via cif-deposit CGI script.	1517038.cif