Crystallography Open Database

Information card for entry 1520752

1520751 << 1520752 >> 1520753

Preview

Coordinates	1520752.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H12 Cu2 N2 O10
Calculated formula	C20 H12 Cu2 N2 O10
Title of publication	Porous metal‒organic frameworks with Lewis basic nitrogen sites for high-capacity methane storage
Authors of publication	Li, Bin; Wen, Hui-Min; Wang, Hailong; Wu, Hui; Yildirim, Taner; Zhou, Wei; Chen, Banglin
Journal of publication	Energy Environ. Sci.
Year of publication	2015
Journal volume	8
Journal issue	8
Pages of publication	2504
a	18.7387 ± 0.0003 Å
b	18.7387 ± 0.0003 Å
c	37.4863 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	11399.4 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.0518
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1019
Weighted residual factors for all reflections included in the refinement	0.1035
Goodness-of-fit parameter for all reflections included in the refinement	0.943
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.	1520752.cif
153239	2015-08-08	cif/ Updating files of 1520752 Original log message: Adding full bibliography for 1520752.cif.	1520752.cif
139992	2015-07-04	cif/ Adding structures of 1520752 via cif-deposit CGI script.	1520752.cif