Crystallography Open Database

Information card for entry 7218706

Preview

Coordinates	7218706.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C164 H138 Cd4 N20 O33
Calculated formula	C164 H138 Cd4 N20 O33
Title of publication	Positional isomeric effect on the structural variation of Cd(ii) coordination polymers based on flexible linear/V-shaped bipyridyl benzene ligands
Authors of publication	Liu, Lei-Lei; Yu, Cai-Xia; Li, Ya-Ru; Han, Jing-Jing; Ma, Feng-Ji; Ma, Lu-Fang
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	3
Pages of publication	653
a	20.66 ± 0.004 Å
b	20.899 ± 0.004 Å
c	18.58 ± 0.004 Å
α	90°
β	102.46 ± 0.03°
γ	90°
Cell volume	7833 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.0616
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0775
Weighted residual factors for all reflections included in the refinement	0.092
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
180518 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/87.	7218706.cif
133188	2015-03-06	cif/ Updating files of 7218705, 7218706, 7218707, 7218708, 7218709 Original log message: Adding full bibliography for 7218705--7218709.cif.	7218706.cif
126647	2014-11-08	cif/ Adding structures of 7218705, 7218706, 7218707, 7218708, 7218709 via cif-deposit CGI script.	7218706.cif