Crystallography Open Database

Information card for entry 4505953

Preview

Coordinates	4505953.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H100 Cd3 N6 O12
Calculated formula	C86 H100 Cd3 N6 O12
Title of publication	Syntheses, Structures, and Photoluminescences of Four Cd(II) Coordination Architectures Based on 1-(4-Pyridylmethyl)-2-methylimidazole and Aromatic Carboxylates: From One-Dimensional Chain to Three-Dimensional Coordination Architecture
Authors of publication	Liu, Fu-Jing; Hao, Hong-Jun; Sun, Cheng-Jie; Lin, Xiao-Hang; Chen, Hao-Peng; Huang, Rong-Bin; Zheng, Lan-Sun
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	4
Pages of publication	2004
a	19.301 ± 0.003 Å
b	12.677 ± 0.002 Å
c	19.591 ± 0.003 Å
α	90°
β	115.071 ± 0.003°
γ	90°
Cell volume	4341.9 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0644
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1334
Weighted residual factors for all reflections included in the refinement	0.138
Goodness-of-fit parameter for all reflections included in the refinement	1.236
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
179595 (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 4/50/59.	4505953.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505953.cif
57417	2012-05-18	cif/ Adding structures of 4505951, 4505952, 4505953, 4505954 via cif-deposit CGI script.	4505953.cif