Crystallography Open Database

Information card for entry 7221771

Preview

Coordinates	7221771.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H40 Cu4 N10 O26
Calculated formula	C62 H40 Cu4 N10 O26
Title of publication	Solvent-controlled Structural Diversity Observed in Three Cu(II) MOFs with 2,2'-dinitro-biphenyl-4,4'-dicarboxylate Ligand: Synthesis, Structures and Magnetism
Authors of publication	Zhang, Na; Zhang, Jian-Yong; Jia, qin xiang; Deng, Wei; Gao, En-Qing
Journal of publication	RSC Adv.
Year of publication	2015
a	16.6013 ± 0.0006 Å
b	13.2647 ± 0.0004 Å
c	29.6078 ± 0.0008 Å
α	90°
β	92.656 ± 0.003°
γ	90°
Cell volume	6513 ± 0.4 Å³
Cell temperature	150.01 ± 0.1 K
Ambient diffraction temperature	150.01 ± 0.1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0816
Residual factor for significantly intense reflections	0.0745
Weighted residual factors for significantly intense reflections	0.2053
Weighted residual factors for all reflections included in the refinement	0.2107
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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.	7221771.cif
153355	2015-08-12	cif/ Adding structures of 7221769, 7221770, 7221771 via cif-deposit CGI script.	7221771.cif