Crystallography Open Database

Information card for entry 7221527

Preview

Coordinates	7221527.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H0 Cl0 Cu3 N3 O21 P3
Calculated formula	C42 H24 Cu3 N3 O21 P3
Title of publication	A metal‒organic framework based on cyclotriphosphazene-functionalized hexacarboxylate for selective adsorption of CO2and C2H6over CH4at room temperature
Authors of publication	Ling, Yajing; Song, Chengling; Feng, Yunlong; Zhang, Mingxing; He, Yabing
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	33
Pages of publication	6314
a	12.6305 ± 0.0012 Å
b	14.5753 ± 0.0007 Å
c	22.114 ± 0.003 Å
α	93.228 ± 0.006°
β	100.746 ± 0.009°
γ	98.776 ± 0.006°
Cell volume	3937.7 ± 0.7 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2527
Residual factor for significantly intense reflections	0.1921
Weighted residual factors for significantly intense reflections	0.4431
Weighted residual factors for all reflections included in the refinement	0.491
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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.	7221527.cif
171078	2015-12-09	cif/ Updating files of 7221527 Original log message: Adding full bibliography for 7221527.cif.	7221527.cif
152016	2015-07-14	cif/ Adding structures of 7221527 via cif-deposit CGI script.	7221527.cif