Crystallography Open Database

Information card for entry 7236581

Preview

Coordinates	7236581.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H8 Cu N2 O4
Calculated formula	C12 H8 Cu N2 O4
Title of publication	Fine-tuning optimal porous coordination polymers using functional alkyl groups for CH4 purification
Authors of publication	Cheng, Fujun; Li, Qianqian; Duan, Jingui; Hosono, Nobuhiko; Noro, Shin-ichiro; Krishna, Rajamani; Lyu, Hongliang; Kusaka, Shinpei; Jin, Wanqin; Kitagawa, Susumu
Journal of publication	Journal of Materials Chemistry A
Year of publication	2017
Journal volume	5
Journal issue	34
Pages of publication	17874
a	10.915 ± 0.01 Å
b	11.321 ± 0.01 Å
c	14.814 ± 0.012 Å
α	90°
β	109.602 ± 0.013°
γ	90°
Cell volume	1724 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1198
Residual factor for significantly intense reflections	0.0979
Weighted residual factors for significantly intense reflections	0.2912
Weighted residual factors for all reflections included in the refinement	0.3139
Goodness-of-fit parameter for all reflections included in the refinement	1.164
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
236326 (current)	2019-11-24	cif/ Adding structures of 7236581, 7236582, 7236583, 7236584 via cif-deposit CGI script.	7236581.cif