Crystallography Open Database

Information card for entry 4502514

Preview

Coordinates	4502514.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H22 Br2 Cd N8 O
Calculated formula	C17 H20 Br2 Cd N8 O
Title of publication	Effect of Anions on the Self-Assembly of Cd(II)-Containing Coordination Polymers Based on a Novel Flexible Tetrakis(imidazole) Ligand
Authors of publication	Bai, Hong-Ye; Ma, Jian-Fang; Yang, Jin; Liu, Ying-Ying; Hua-Wu,; Ma, Ji-Cheng
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	2
Pages of publication	995
a	13.1713 ± 0.0006 Å
b	12.543 ± 0.0004 Å
c	14.3799 ± 0.0008 Å
α	90°
β	110.601 ± 0.006°
γ	90°
Cell volume	2223.8 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1056
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.0999
Weighted residual factors for all reflections included in the refinement	0.1094
Goodness-of-fit parameter for all reflections included in the refinement	0.806
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4502514.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502514.cif
36450	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502511, 4502512, 4502513, 4502514, 4502515, 4502516, 4502517, 4502518, 4502519, 4502520, 4502521, 4502522, 4502523, 4502524 via cif-deposit CGI script.	4502514.cif