Crystallography Open Database

Information card for entry 4500176

Preview

Coordinates	4500176.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	CoW12Si-DEF
Formula	C98 H232 Co4 N38 O139 Si3 W36
Calculated formula	C98 H232 Co4 N38 O139 Si3 W36
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	14.0765 ± 0.0011 Å
b	41.183 ± 0.003 Å
c	22.7696 ± 0.0018 Å
α	90°
β	93.713 ± 0.001°
γ	90°
Cell volume	13172.1 ± 1.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0964
Residual factor for significantly intense reflections	0.0804
Weighted residual factors for significantly intense reflections	0.1893
Weighted residual factors for all reflections included in the refinement	0.1987
Goodness-of-fit parameter for all reflections included in the refinement	1.185
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.	4500176.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500176.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.	4500176.cif