Crystallography Open Database

Information card for entry 4121521

Preview

Coordinates	4121521.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H24 Co3 N5 O13
Calculated formula	C39 H24 Co3 N5 O13
Title of publication	Nanoporous Cobalt(II) MOF Exhibiting Four Magnetic Ground States and Changes in Gas Sorption upon Post-Synthetic Modification.
Authors of publication	Zeng, Ming-Hua; Yin, Zheng; Tan, Yan-Xi; Zhang, Wei-Xiong; He, Yan-Ping; Kurmoo, Mohamedally
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	12
Pages of publication	4680 - 4688
a	17.5207 ± 0.001 Å
b	17.5207 ± 0.001 Å
c	15.1261 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	4643.3 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	116
Hermann-Mauguin space group symbol	P -4 c 2
Hall space group symbol	P -4 -2c
Residual factor for all reflections	0.0564
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.13
Weighted residual factors for all reflections included in the refinement	0.14
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179017 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/15.	4121521.cif
108218	2014-03-29	cif/ Adding structures of 4121521, 4121522, 4121523, 4121524, 4121525 via cif-deposit CGI script.	4121521.cif