Crystallography Open Database

Information card for entry 4115010

Preview

Coordinates	4115010.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H52 Cl5 Mo2 N12
Calculated formula	C30 H52 Cl5 Mo2 N12
Title of publication	The Extraordinary Ability of Guanidinate Derivatives to Stabilize Higher Oxidation Numbers in Dimetal Units by Modification of Redox Potentials: Structures of Mo25+ and Mo26+ Compounds
Authors of publication	F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; Daren J. Timmons; Chad C. Wilkinson
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	9249 - 9256
a	13.6912 ± 0.0008 Å
b	13.6912 ± 0.0008 Å
c	20.4755 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	3838.1 ± 0.4 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	5
Space group number	126
Hermann-Mauguin space group symbol	P 4/n n c :2
Hall space group symbol	-P 4a 2bc
Residual factor for all reflections	0.0273
Residual factor for significantly intense reflections	0.0227
Weighted residual factors for significantly intense reflections	0.0569
Weighted residual factors for all reflections included in the refinement	0.0622
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178921 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/50.	4115010.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115010.cif
68396	2012-10-26	cif/ Adding structures of 4115010 via cif-deposit CGI script.	4115010.cif