Crystallography Open Database

Information card for entry 1512714

Preview

Coordinates	1512714.cif

Structure parameters

Formula	C16 H16 Cd N2 O10
Calculated formula	C16 H16 Cd N2 O10
Title of publication	Syntheses, structures and photoluminescent properties of three new coordination polymers based on semirigid zwitterionic ligand
Authors of publication	Yong-Qing Huang; Yan-Hua Wang; Yue Zhao; Qian Zhao; Yang Yang; Wei Zhao; Qian Shao
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	393
Pages of publication	164 - 170
a	7.529 ± 0.005 Å
b	17.346 ± 0.011 Å
c	7.425 ± 0.005 Å
α	90°
β	117.455 ± 0.008°
γ	90°
Cell volume	860.5 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0208
Residual factor for significantly intense reflections	0.0196
Weighted residual factors for significantly intense reflections	0.0535
Weighted residual factors for all reflections included in the refinement	0.0544
Goodness-of-fit parameter for all reflections included in the refinement	1.11
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.	1512714.cif
90781	2013-11-18	cif/ Adding structures of 1512714 via cif-deposit CGI script.	1512714.cif