Crystallography Open Database

Information card for entry 4107930

Preview

Coordinates	4107930.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H32 Co N6 O3
Calculated formula	C21.5 H6 Co N6 O3
Title of publication	Broadly Hysteretic H2Adsorption in the Microporous Metal-Organic Framework Co(1,4-benzenedipyrazolate)
Authors of publication	Hye Jin Choi; Mircea Dincă; Jeffrey R. Long
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	7848 - 7850
a	13.2529 ± 0.0019 Å
b	13.253 Å
c	13.995 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2458.1 ± 0.5 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	17
Hermann-Mauguin space group symbol	P 2 2 21
Hall space group symbol	P 2c 2
Residual factor for all reflections	0.0904
Residual factor for significantly intense reflections	0.0781
Weighted residual factors for significantly intense reflections	0.2116
Weighted residual factors for all reflections included in the refinement	0.2211
Goodness-of-fit parameter for all reflections included in the refinement	1.677
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178825 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/79.	4107930.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107930.cif
56256	2012-05-09	cif/ Adding structures of 4107930 via cif-deposit CGI script.	4107930.cif