Crystallography Open Database

Information card for entry 7208239

7208238 << 7208239 >> 7208240

Preview

Coordinates	7208239.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H56 Cd Cl2 N18 O12
Calculated formula	C54 H48 Cd Cl2 N18 O12
Title of publication	Two novel Cd(ii) complexes with unprecedented four- and six-fold interpenetration
Authors of publication	Wang, Nan; Ma, Jian-Gong; Shi, Wei; Cheng, Peng
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	16
Pages of publication	5198
a	10.6908 ± 0.0003 Å
b	10.6908 ± 0.0003 Å
c	92.65 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	9170.6 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0562
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1529
Weighted residual factors for all reflections included in the refinement	0.161
Goodness-of-fit parameter for all reflections included in the refinement	1.103
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
180413 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/82.	7208239.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208239.cif
64232	2012-08-11	cif/ Adding structures of 7208239, 7208240 via cif-deposit CGI script.	7208239.cif