Crystallography Open Database

Information card for entry 7221770

Preview

Coordinates	7221770.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114 H144 Cu9 N20 O79
Calculated formula	C84 H44 Cu9 N12 O56
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	32.47 ± 0.001 Å
b	22.115 ± 0.001 Å
c	20.273 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	14557.5 ± 1.1 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.1102
Residual factor for significantly intense reflections	0.0663
Weighted residual factors for significantly intense reflections	0.1718
Weighted residual factors for all reflections included in the refinement	0.1827
Goodness-of-fit parameter for all reflections included in the refinement	1.194
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
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.	7221770.cif
153355	2015-08-12	cif/ Adding structures of 7221769, 7221770, 7221771 via cif-deposit CGI script.	7221770.cif