Crystallography Open Database

Information card for entry 7220128

7220127 << 7220128 >> 7220129

Preview

Coordinates	7220128.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C382 H222 Cl12 Cu30 N180 O48
Calculated formula	C380 H225.07 Cl12 Cu30 N180 O48
Title of publication	Metallo-supramolecular grid-type architectures for highly and selectively efficient adsorption of dyes in water
Authors of publication	Qin, Xiao ting; zhang, guonan; gao, yanfei; liu, hou-ting; Du, Chunfang; Liu, Zhiliang
Journal of publication	RSC Adv.
Year of publication	2015
a	18.962 ± 0.01 Å
b	22.56 ± 0.012 Å
c	26.86 ± 0.014 Å
α	105.08 ± 0.007°
β	102.6 ± 0.007°
γ	98.885 ± 0.008°
Cell volume	10552 ± 10 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1828
Residual factor for significantly intense reflections	0.0939
Weighted residual factors for significantly intense reflections	0.2708
Weighted residual factors for all reflections included in the refinement	0.3489
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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.	7220128.cif
135728	2015-05-08	cif/ Adding structures of 7220128, 7220129 via cif-deposit CGI script.	7220128.cif