Crystallography Open Database

Information card for entry 4506084

Preview

Coordinates	4506084.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H19 Cd N4 O5
Calculated formula	C22 H17 Cd N4 O5
Title of publication	Zinc(II) and Cadmium(II) Complexes with Rigid 3,3′,5,5′-Tetra(1H-imidazol-1-yl)-1,1′-biphenyl and Varied Carboxylate Ligands
Authors of publication	Luo, Li; Wang, Peng; Xu, Guan-Cheng; Liu, Qing; Chen, Kai; Lu, Yi; Zhao, Yue; Sun, Wei-Yin
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	5
Pages of publication	2634
a	10.997 ± 0.003 Å
b	30.043 ± 0.008 Å
c	14.553 ± 0.004 Å
α	90°
β	109.807 ± 0.004°
γ	90°
Cell volume	4524 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0974
Residual factor for significantly intense reflections	0.0848
Weighted residual factors for significantly intense reflections	0.236
Weighted residual factors for all reflections included in the refinement	0.2584
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
179596 (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 4/50/60.	4506084.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506084.cif
57505	2012-05-18	cif/ Adding structures of 4506081, 4506082, 4506083, 4506084, 4506085, 4506086 via cif-deposit CGI script.	4506084.cif