Crystallography Open Database

Information card for entry 1517035

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Coordinates	1517035.cif

Structure parameters

Formula	C20 H26 Cd N6 O11
Calculated formula	C20 H26 Cd N6 O11
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	12.3418 ± 0.0003 Å
b	12.8106 ± 0.0003 Å
c	15.3894 ± 0.0004 Å
α	90°
β	93.886 ± 0.003°
γ	90°
Cell volume	2427.56 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0456
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0742
Weighted residual factors for all reflections included in the refinement	0.0763
Goodness-of-fit parameter for all reflections included in the refinement	0.974
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.	1517035.cif
119944	2014-07-10	cif/ Adding structures of 1517035 via cif-deposit CGI script.	1517035.cif