Crystallography Open Database

Information card for entry 7236074

Preview

Coordinates	7236074.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H88 N16 Ni2 O21
Calculated formula	C50 H32 N12 Ni2 O5
Title of publication	A (3,8)-connected metal‒organic framework with a unique binuclear [Ni2(μ2-OH)(COO)2] node for high H2 and CO2 adsorption capacities
Authors of publication	Zhang, Lei; Qian, Jinjie; Yang, Wenbin; Kuang, Xiaofei; Zhang, Jun; Cui, Yixin; Wu, Weiming; Wu, Xiao-Yuan; Lu, Can-Zhong; Chen, Wen-Zhe
Journal of publication	Journal of Materials Chemistry A
Year of publication	2015
Journal volume	3
Journal issue	30
Pages of publication	15399
a	24.345 ± 0.004 Å
b	20.477 ± 0.003 Å
c	19.098 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	9521 ± 3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0307
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0828
Weighted residual factors for all reflections included in the refinement	0.0836
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
233901 (current)	2019-11-23	cif/ Adding structures of 7236074 via cif-deposit CGI script.	7236074.cif