Crystallography Open Database

Information card for entry 7220129

7220128 << 7220129 >> 7220130

Preview

Coordinates	7220129.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H49 Cu5.5 I2 N27 O5
Calculated formula	C60 H49 Cu5.5 I2 N27 O5
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	25.089 ± 0.002 Å
b	19.3049 ± 0.0014 Å
c	30.127 ± 0.003 Å
α	90°
β	113.501 ± 0.011°
γ	90°
Cell volume	13381 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.167
Residual factor for significantly intense reflections	0.112
Weighted residual factors for significantly intense reflections	0.2648
Weighted residual factors for all reflections included in the refinement	0.3101
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	7220129.cif
176428	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.	7220129.cif
135728	2015-05-08	cif/ Adding structures of 7220128, 7220129 via cif-deposit CGI script.	7220129.cif