Crystallography Open Database

Information card for entry 4115378

Preview

Coordinates	4115378.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H21 Mn O6 W
Calculated formula	C26 H21 Mn O6 W
Title of publication	[2 + 2] Cross Coupling of Benzene and Tropylium Ligands in Reductively Activated Piano Stool Complexes of Mn, Cr, and W
Authors of publication	Li Shao; Steven J. Geib; Paul D. Badger; N. John Cooper
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	14812 - 14813
a	22.809 ± 0.005 Å
b	9.523 ± 0.0019 Å
c	11.144 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2420.6 ± 0.8 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.047
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.1001
Weighted residual factors for all reflections included in the refinement	0.1045
Goodness-of-fit parameter for all reflections included in the refinement	1.21
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
178924 (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 4/11/53.	4115378.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115378.cif
68845	2012-11-21	cif/ Adding structures of 4115378 via cif-deposit CGI script.	4115378.cif