Crystallography Open Database

Information card for entry 7218704

Preview

Coordinates	7218704.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H52 Cd Cl2 N16 O12
Calculated formula	C42 H52 Cd Cl2 N16 O12
Title of publication	Effect of anions on the self-assembly of two Cd‒organic frameworks: syntheses, structural diversity and photoluminescence properties
Authors of publication	Xue, Zhenzhen; Sheng, Tianlu; Wen, Yuehong; Wang, Yong; Hu, Shengmin; Fu, Ruibiao; Wu, Xintao
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	3
Pages of publication	598
a	17.573 ± 0.007 Å
b	16.528 ± 0.007 Å
c	17.595 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	5110 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0976
Residual factor for significantly intense reflections	0.085
Weighted residual factors for significantly intense reflections	0.1982
Weighted residual factors for all reflections included in the refinement	0.2095
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
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.	7218704.cif
133183	2015-03-06	cif/ Updating files of 7218703, 7218704 Original log message: Adding full bibliography for 7218703--7218704.cif.	7218704.cif
126646	2014-11-08	cif/ Adding structures of 7218703, 7218704 via cif-deposit CGI script.	7218704.cif