Crystallography Open Database

Information card for entry 7220594

7220593 << 7220594 >> 7220595

Preview

Coordinates	7220594.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H11 Cu N3 O5
Calculated formula	C17 H11 Cu N3 O5
Title of publication	A (3,6)-connected metal‒organic framework with high CH4binding affinity and uptake capacity
Authors of publication	Liu, Huiyan; Wang, Qian; Zhang, Mingxing; Jiang, Jingjing
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	26
Pages of publication	4793
a	16.269 ± 0.002 Å
b	20.73 ± 0.003 Å
c	14.9828 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	5053 ± 1.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0738
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.112
Weighted residual factors for all reflections included in the refinement	0.1189
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
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.	7220594.cif
143371	2015-07-10	cif/ Updating files of 7220594 Original log message: Adding full bibliography for 7220594.cif.	7220594.cif
137638	2015-06-02	cif/ Adding structures of 7220594 via cif-deposit CGI script.	7220594.cif