Crystallography Open Database

Information card for entry 7237154

Preview

Coordinates	7237154.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H36 Cu4 N12 O12
Calculated formula	C48 H36 Cu4 N12 O12
Title of publication	An antiferromagnetic metalloring pyrazolate (Pz) framework with [Cu12(μ2-OH)12(Pz)12] nodes for separation of C2H2/CH4 mixture
Authors of publication	Li, Ziyin; Ye, Yingxiang; Yao, Zizhu; Guo, Junzhi; Lin, Quanjie; Zhang, Jindan; Zhang, Zhangjing; Wei, Fangfang; Xiang, Shengchang
Journal of publication	Journal of Materials Chemistry A
Year of publication	2018
Journal volume	6
Journal issue	40
Pages of publication	19681
a	26.0992 ± 0.0004 Å
b	26.0992 ± 0.0004 Å
c	9.2584 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	5461.61 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	143
Hermann-Mauguin space group symbol	P 3
Hall space group symbol	P 3
Residual factor for all reflections	0.0594
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.0802
Weighted residual factors for all reflections included in the refinement	0.0862
Goodness-of-fit parameter for all reflections included in the refinement	0.834
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237456 (current)	2019-11-24	cif/ Adding structures of 7237154 via cif-deposit CGI script.	7237154.cif