Crystallography Open Database

Information card for entry 1554216

Preview

Coordinates	1554216.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H25 Cu1.5 N2.5 O6
Calculated formula	C39 H25.5 Cu1.5 N2.5 O6
Title of publication	Porous metal‒organic frameworks based on 3,6-bis(4-benzoic acid)-N-(4-benzoic acid)carbazole for HPLC separation of small organic molecules
Authors of publication	Chen, Dong-Hui; Zhuo, Chao; Wen, Yue-Hong; Lin, Ling; Zhang, Yu-Xiao; Hu, Sheng-Min; Fu, Rui-Biao; Wu, Xin-Tao
Journal of publication	Materials Chemistry Frontiers
Year of publication	2018
Journal volume	2
Journal issue	8
Pages of publication	1508
a	31.8272 ± 0.0003 Å
b	31.8272 ± 0.0003 Å
c	27.8945 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	28256.3 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	137
Hermann-Mauguin space group symbol	P 42/n m c :2
Hall space group symbol	-P 4ac 2a
Residual factor for all reflections	0.1159
Residual factor for significantly intense reflections	0.0985
Weighted residual factors for significantly intense reflections	0.326
Weighted residual factors for all reflections included in the refinement	0.3548
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
237030 (current)	2019-11-24	cif/ Adding structures of 1554216 via cif-deposit CGI script.	1554216.cif