Crystallography Open Database

Information card for entry 4109173

Preview

Coordinates	4109173.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H34 B10 P2 Pt
Calculated formula	C18 H34 B10 P2 Pt
Title of publication	The Conformations of 13-Vertex ML~2~C~2~B~10~ Metallacarboranes: Experimental and Computational Studies
Authors of publication	Kelly J. Dalby; David Ellis; Stefan Erhardt; Ruaraidh D. McIntosh; Stuart A. Macgregor; Karen Rae; Georgina M. Rosair; Volker Settels; Alan J. Welch; Bruce E. Hodson; Thomas D. McGrath; F. Gordon A. Stone
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	3302 - 3314
a	20.335 ± 0.003 Å
b	10.4382 ± 0.0014 Å
c	13.599 ± 0.0019 Å
α	90°
β	122.496 ± 0.003°
γ	90°
Cell volume	2434.6 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0378
Residual factor for significantly intense reflections	0.0253
Weighted residual factors for significantly intense reflections	0.0501
Weighted residual factors for all reflections included in the refinement	0.0523
Goodness-of-fit parameter for all reflections included in the refinement	0.923
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
178837 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/91.	4109173.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109173.cif
57928	2012-05-23	cif/ Adding structures of 4109173 via cif-deposit CGI script.	4109173.cif