Crystallography Open Database

Information card for entry 4506952

Preview

Coordinates	4506952.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H48 Cd3 N8 O18
Calculated formula	C52 H44 Cd3 N8 O18
Title of publication	Cadmium‒Organic Coordination Polymers Based on N-Donor Ligands and Small Anions: Syntheses, Crystal Structures, and Photoluminescent Properties
Authors of publication	Guo, Jie; Sun, Di; Zhang, Liangliang; Yang, Qiao; Zhao, Xiaoliang; Sun, Daofeng
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	11
Pages of publication	5649
a	15.976 ± 0.005 Å
b	10.016 ± 0.003 Å
c	17.742 ± 0.005 Å
α	90°
β	105.468 ± 0.005°
γ	90°
Cell volume	2736.2 ± 1.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0442
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0834
Weighted residual factors for all reflections included in the refinement	0.1086
Goodness-of-fit parameter for all reflections included in the refinement	1.175
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
179605 (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 4/50/69.	4506952.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506952.cif
71902	2013-01-21	cif/ Adding structures of 4506952 via cif-deposit CGI script.	4506952.cif