Crystallography Open Database

Information card for entry 4502654

Preview

Coordinates	4502654.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H14.4 Cd N4 O6.2
Calculated formula	C20 H14.4 Cd N4 O6.2
Title of publication	Synthesis, Structures, and Properties of Zinc(II) and Cadmium(II) Complexes with 1,2,4,5-Tetrakis(imidazol-1-ylmethyl)benzene and Multicarboxylate Ligands
Authors of publication	Hua, Qin; Zhao, Yue; Xu, Guan-Cheng; Chen, Man-Sheng; Su, Zhi; Cai, Kai; Sun, Wei-Yin
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	6
Pages of publication	2553
a	9.3983 ± 0.0009 Å
b	9.6279 ± 0.0009 Å
c	12.6835 ± 0.0012 Å
α	88.79 ± 0.002°
β	69.026 ± 0.001°
γ	66.031 ± 0.002°
Cell volume	968.78 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0318
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0795
Weighted residual factors for all reflections included in the refinement	0.0804
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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.	4502654.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502654.cif
36503	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502654, 4502655, 4502656, 4502657, 4502658 via cif-deposit CGI script.	4502654.cif