Crystallography Open Database

Information card for entry 4342311

Preview

Coordinates	4342311.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H99 Co8.5 N24 O13
Calculated formula	C102 H99 Co8.5 N24 O13
Title of publication	A New Porous MOF with Two Uncommon Metal-Carboxylate-Pyrazolate Clusters and High CO2/N2 Selectivity.
Authors of publication	Wang, Hai-Hua; Jia, Li-Na; Hou, Lei; Shi, Wen-Juan; Zhu, Zhonghua; Wang, Yao-Yu
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	4
Pages of publication	1841 - 1846
a	33.8846 ± 0.0001 Å
b	33.8846 ± 0.0001 Å
c	33.8846 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	38905.1 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	213
Hermann-Mauguin space group symbol	P 41 3 2
Hall space group symbol	P 4bd 2ab 3
Residual factor for all reflections	0.0889
Residual factor for significantly intense reflections	0.0703
Weighted residual factors for significantly intense reflections	0.1527
Weighted residual factors for all reflections included in the refinement	0.192
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4342311.cif
132837	2015-03-04	cif/ Updating files of 4342311 Original log message: Adding full bibliography for 4342311.cif.	4342311.cif
130514	2015-02-04	cif/ Adding structures of 4342311 via cif-deposit CGI script.	4342311.cif