Crystallography Open Database

Information card for entry 4507651

Preview

Coordinates	4507651.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H50 Cd3 N8 O22
Calculated formula	C62 H50 Cd3 N8 O22
Title of publication	Syntheses, Structures, Photochemical and Magnetic Properties of Novel Divalent Cd/Mn Coordination Polymers Based on a Semirigid Tripodal Carboxylate Ligand
Authors of publication	Cui, Jiehu; Yang, Qingxiang; Li, Yizhi; Guo, Zijian; Zheng, Hegen
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	4
Pages of publication	1694
a	17.278 ± 0.003 Å
b	11.0227 ± 0.0018 Å
c	18.58 ± 0.003 Å
α	90°
β	116.817 ± 0.002°
γ	90°
Cell volume	3158 ± 0.9 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0499
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.0875
Weighted residual factors for all reflections included in the refinement	0.0896
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179612 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/76.	4507651.cif
85604	2013-05-07	cif/ Adding structures of 4507650, 4507651, 4507652, 4507653, 4507654 via cif-deposit CGI script.	4507651.cif