Crystallography Open Database

Information card for entry 4121524

Preview

Coordinates	4121524.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H38 Co3 N2 O12
Calculated formula	C36 H38 Co3 N2 O12
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	17.5096 ± 0.0004 Å
b	17.5096 ± 0.0004 Å
c	15.1902 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	4657.1 ± 0.3 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	0.0675
Residual factor for significantly intense reflections	0.0637
Weighted residual factors for significantly intense reflections	0.1638
Weighted residual factors for all reflections included in the refinement	0.1662
Goodness-of-fit parameter for all reflections included in the refinement	1.138
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
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.	4121524.cif
108218	2014-03-29	cif/ Adding structures of 4121521, 4121522, 4121523, 4121524, 4121525 via cif-deposit CGI script.	4121524.cif