Crystallography Open Database

Information card for entry 1517037

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Coordinates	1517037.cif

Structure parameters

Formula	C20 H20 Cd N6 O8
Calculated formula	C20 H20 Cd N6 O8
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	23.195 ± 0.01 Å
b	6.51 ± 0.005 Å
c	6.894 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	1041 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	35
Hermann-Mauguin space group symbol	C m m 2
Hall space group symbol	C 2 -2
Residual factor for all reflections	0.059
Residual factor for significantly intense reflections	0.059
Weighted residual factors for significantly intense reflections	0.1384
Weighted residual factors for all reflections included in the refinement	0.1384
Goodness-of-fit parameter for all reflections included in the refinement	1.294
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
176729 (current)	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 1.	1517037.cif
119946	2014-07-10	cif/ Adding structures of 1517037 via cif-deposit CGI script.	1517037.cif