Crystallography Open Database

Information card for entry 4509866

Preview

Coordinates	4509866.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H22 Cd2 N O12
Calculated formula	C27 H14 Cd2 N O12
Title of publication	A Systematic Research on the Synthesis, Structures, and Application in Photocatalysis of Cluster-Based Coordination Complexes
Authors of publication	Meng, Wei; Xu, Zhouqing; Ding, Jie; Wu, Dongqing; Han, Xiao; Hou, Hongwei; Fan, Yaoting
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	2
Pages of publication	730
a	17.001 ± 0.003 Å
b	8.5304 ± 0.0017 Å
c	23.469 ± 0.008 Å
α	90°
β	127.642 ± 0.019°
γ	90°
Cell volume	2695.1 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0883
Residual factor for significantly intense reflections	0.0671
Weighted residual factors for significantly intense reflections	0.1708
Weighted residual factors for all reflections included in the refinement	0.1925
Goodness-of-fit parameter for all reflections included in the refinement	1.139
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
179634 (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 4/50/98.	4509866.cif
104098	2014-03-10	cif/ Adding structures of 4509866 via cif-deposit CGI script.	4509866.cif