Crystallography Open Database

Information card for entry 4321933

4321932 << 4321933 >> 4321934

Preview

Coordinates	4321933.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H53 Ce Co4 N15 O27
Calculated formula	C59.5 H48.5 Ce Co4 N14.5 O26.6667
Title of publication	[Co4O4]4+ Cubane Core as a Brønsted Base: Preparation and Properties of [Co4O3(OH)(O2CR)2(bpy)2]3+ and [Co4O2(OH)2(O2CR)2(bpy)2]4+ Salts
Authors of publication	Katerina Dimitrou; Angelica D. Brown; Kirsten Folting; George Christou
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	1834 - 1841
a	22.603 ± 0.004 Å
b	34.759 ± 0.006 Å
c	18.167 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	14273 ± 4 Å³
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for significantly intense reflections	0.0863
Weighted residual factors for all reflections included in the refinement	0.0878
Goodness-of-fit parameter for all reflections included in the refinement	2.0077
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4321933.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321933.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321933.cif
19796	2011-05-25	../uploads/cif-deposit/cod/cif Adding structures of 4321933 via cif-deposit CGI script.	4321933.cif