Crystallography Open Database

Information card for entry 7118003

Preview

Coordinates	7118003.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H44 B2 Cd F8 N12 O2
Calculated formula	C50 H44 B2 Cd F8 N12 O2
Title of publication	Fabrication of Cd(II)-MOF-based ternary photocatalytic composite materials for H2 production via a gel-to-crystal approach
Authors of publication	Chao-Wei Zhao; Yan-An Li; Xue-Ru Wang; Gong-Jun Chen; Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	15906
a	15.9333 ± 0.0006 Å
b	15.9333 ± 0.0006 Å
c	21.1312 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	5364.6 ± 0.5 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	7
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.1158
Residual factor for significantly intense reflections	0.0945
Weighted residual factors for significantly intense reflections	0.2324
Weighted residual factors for all reflections included in the refinement	0.2559
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7118003.cif
169757	2015-10-27	cif/ Adding structures of 7118003 via cif-deposit CGI script.	7118003.cif