Crystallography Open Database

Information card for entry 4500173

Preview

Coordinates	4500173.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	CoMo12P-DMF
Formula	C45 H112 Co2 Mo24 N23 O91 P2
Calculated formula	C45 H112 Co2 Mo24 N23 O91 P2
Title of publication	Structural and Selective Gas Adsorption Studies of Polyoxometalate and Tris(ethylenediamine) Cobalt(III) Based Ionic Crystals
Authors of publication	Dey, Chandan; Das, Raja; Pachfule, Pradip; Poddar, Pankaj; Banerjee, Rahul
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	1
Pages of publication	139
a	12.1 ± 0.002 Å
b	23.4858 ± 0.0013 Å
c	24.259 ± 0.003 Å
α	83.935 ± 0.003°
β	79.012 ± 0.003°
γ	86.859 ± 0.003°
Cell volume	6725.4 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.079
Residual factor for significantly intense reflections	0.0704
Weighted residual factors for significantly intense reflections	0.1696
Weighted residual factors for all reflections included in the refinement	0.1746
Goodness-of-fit parameter for all reflections included in the refinement	1.127
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
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.	4500173.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500173.cif
34383	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500171, 4500172, 4500173, 4500174, 4500175, 4500176, 4500177 via cif-deposit CGI script.	4500173.cif