Crystallography Open Database

Information card for entry 4108407

Preview

Coordinates	4108407.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H77 B Cl P2 Ru
Calculated formula	C45 H77 B Cl P2 Ru
Title of publication	A Terminal Borylene Ruthenium Complex: From B-H Activation to Reversible Hydrogen Release
Authors of publication	Gilles Alcaraz; Ulrike Helmstedt; Eric Clot; Laure Vendier; Sylviane Sabo-Etienne
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	12878 - 12879
a	10.4406 ± 0.0011 Å
b	12.2497 ± 0.0013 Å
c	18.53 ± 0.002 Å
α	83.963 ± 0.003°
β	86.405 ± 0.002°
γ	65.306 ± 0.002°
Cell volume	2140.8 ± 0.4 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0643
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.1056
Weighted residual factors for all reflections included in the refinement	0.1129
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178830 (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 4/10/84.	4108407.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108407.cif
56761	2012-05-15	cif/ Adding structures of 4108407 via cif-deposit CGI script.	4108407.cif