Crystallography Open Database

Information card for entry 4513377

Preview

Coordinates	4513377.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H22 Cu2 O12
Calculated formula	C48 H22 Cu2 O12
Title of publication	A Noninterpenetrated Metal‒Organic Framework Built from an Enlarged Tetracarboxylic Acid for Small Hydrocarbon Separation
Authors of publication	Cai, Jianfeng; Yu, Jiancan; Wang, Hailong; Duan, Xing; Zhang, Qi; Wu, Chuande; Cui, Yuanjing; Yu, Yang; Wang, Zhiyu; Chen, Banglin; Qian, Guodong
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	8
Pages of publication	4071
a	39.58 ± 0.004 Å
b	39.58 ± 0.004 Å
c	27.445 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	42995 ± 10 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	139
Hermann-Mauguin space group symbol	I 4/m m m
Hall space group symbol	-I 4 2
Residual factor for all reflections	0.1712
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1434
Weighted residual factors for all reflections included in the refinement	0.1964
Goodness-of-fit parameter for all reflections included in the refinement	0.975
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
154547 (current)	2015-09-05	cif/ Updating files of 4513377 Original log message: Adding full bibliography for 4513377.cif.	4513377.cif
141413	2015-07-09	cif/ Adding structures of 4513377 via cif-deposit CGI script.	4513377.cif