Crystallography Open Database

Information card for entry 7220127

7220126 << 7220127 >> 7220128

Preview

Coordinates	7220127.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H54 Cu3 N8 O18
Calculated formula	C72 H54 Cu3 N8 O18
Title of publication	Hydrothermal Syntheses, Structural Characterizations, and Magnetic Properties of Five MOFs Assembled From C2-Symmetric Ligand of 1,3-Di((2',4'-dicarboxylphenyl)benzene with Various Coodination modes
Authors of publication	zhang, xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian
Journal of publication	RSC Adv.
Year of publication	2015
a	17.8722 ± 0.001 Å
b	10.9304 ± 0.0006 Å
c	19.1523 ± 0.0011 Å
α	90°
β	115.51 ± 0.0016°
γ	90°
Cell volume	3376.6 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1161
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.092
Weighted residual factors for all reflections included in the refinement	0.1078
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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.	7220127.cif
135727	2015-05-08	cif/ Adding structures of 7220123, 7220124, 7220125, 7220126, 7220127 via cif-deposit CGI script.	7220127.cif