Crystallography Open Database

Information card for entry 7214239

Preview

Coordinates	7214239.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H44 Cd3 N8 O12
Calculated formula	C46 H44 Cd3 N8 O12
Title of publication	Two porous metal‒organic frameworks (MOFs) based on mixed ligands: synthesis, structure and selective gas adsorption
Authors of publication	Shi, Jing-Tao; Yue, Ke-Fen; Liu, Bo; Zhou, Chun-sheng; Liu, Yong-Liang; Fang, Zhi-Guo; Wang, Yao-Yu
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	15
Pages of publication	3097
a	29.401 ± 0.003 Å
b	13.3519 ± 0.0011 Å
c	15.8465 ± 0.0013 Å
α	90°
β	90.878 ± 0.002°
γ	90°
Cell volume	6220 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0795
Residual factor for significantly intense reflections	0.0642
Weighted residual factors for significantly intense reflections	0.1888
Weighted residual factors for all reflections included in the refinement	0.2003
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
180473 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/42.	7214239.cif
108271	2014-03-30	cif/ Adding structures of 7214239, 7214240 via cif-deposit CGI script.	7214239.cif