Crystallography Open Database

Information card for entry 4502657

Preview

Coordinates	4502657.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H28 N8 O17 Zn3
Calculated formula	C40 H28 N8 O17 Zn3
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	27.573 ± 0.003 Å
b	11.0654 ± 0.0012 Å
c	16.6196 ± 0.0018 Å
α	90°
β	119.188 ± 0.002°
γ	90°
Cell volume	4426.9 ± 0.8 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	0.0828
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1037
Weighted residual factors for all reflections included in the refinement	0.1124
Goodness-of-fit parameter for all reflections included in the refinement	0.907
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
179557 (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 4/50/26.	4502657.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502657.cif
36503	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502654, 4502655, 4502656, 4502657, 4502658 via cif-deposit CGI script.	4502657.cif