Crystallography Open Database

Information card for entry 7218368

Preview

Coordinates	7218368.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H34 Br2 Co3 N4 O12
Calculated formula	C36 H34 Br2 Co3 N4 O12
Title of publication	The influence of 1-alkyl-3-methyl imidazolium ionic liquids on a series of cobalt-1,4-benzenedicarboxylate metal‒organic frameworks
Authors of publication	Xu, Ling; Liu, Bing; Liu, Sheng-Xian; Jiao, Huan; de Castro, Baltazar; Cunha-Silva, Luís
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	46
Pages of publication	10649
a	12.9273 ± 0.0011 Å
b	9.3874 ± 0.0009 Å
c	18.211 ± 0.0016 Å
α	90°
β	107.861 ± 0.004°
γ	90°
Cell volume	2103.5 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.112
Residual factor for significantly intense reflections	0.0774
Weighted residual factors for significantly intense reflections	0.195
Weighted residual factors for all reflections included in the refinement	0.2066
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
180514 (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 7/21/83.	7218368.cif
126342	2014-11-06	cif/ Updating files of 7218368, 7218369, 7218370, 7218371 Original log message: Adding full bibliography for 7218368--7218371.cif.	7218368.cif
124950	2014-10-07	cif/ Adding structures of 7218368, 7218369, 7218370, 7218371 via cif-deposit CGI script.	7218368.cif