Crystallography Open Database

Information card for entry 4511462

Preview

Coordinates	4511462.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12.5 H10.5 Br2 Cd N3.5 O0.5
Calculated formula	C12.5 H10.5 Br2 Cd N3.5 O0.5
Title of publication	Syntheses, Crystal Structures, and Photoluminescent Properties of a Series of M(II) Coordination Polymers Containing M−X2−M Bridges: From 1-D Chains to 2-D Networks
Authors of publication	Wei, Kai-Ju; Xie, Yong-Shu; Ni, Jia; Zhang, Min; Liu, Qing-Liang
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	6
Pages of publication	1341
a	17.18 ± 0.003 Å
b	15.269 ± 0.003 Å
c	12.1374 ± 0.0019 Å
α	90°
β	108.606 ± 0.003°
γ	90°
Cell volume	3017.5 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0451
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0887
Weighted residual factors for all reflections included in the refinement	0.093
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4511462.cif
118603	2014-06-30	cif/ Adding structures of 4511462 via cif-deposit CGI script.	4511462.cif