Crystallography Open Database

Information card for entry 4109673

Preview

Coordinates	4109673.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H81 B P2 Ru
Calculated formula	C45 H81 B P2 Ru
SMILES	c1(c(cc(cc1C)C)C)[B]12[RuH2]([P](C3CCCCC3)(C3CCCCC3)C3CCCCC3)([P](C3CCCCC3)(C3CCCCC3)C3CCCCC3)([H]1)[H]2
Title of publication	Mesitylborane as a Bis(σ-B-H) Ligand: An Unprecedented Bonding Mode to a Metal Center
Authors of publication	Gilles Alcaraz; Eric Clot; Ulrike Helmstedt; Laure Vendier; Sylviane Sabo-Etienne
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	8704 - 8705
a	10.2779 ± 0.0006 Å
b	12.5838 ± 0.0007 Å
c	18.0772 ± 0.001 Å
α	84.103 ± 0.004°
β	84.059 ± 0.005°
γ	68.424 ± 0.005°
Cell volume	2157.2 ± 0.2 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0829
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.0823
Weighted residual factors for all reflections included in the refinement	0.0946
Goodness-of-fit parameter for all reflections included in the refinement	0.96
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178842 (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 4/10/96.	4109673.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109673.cif
58450	2012-05-28	cif/ Adding structures of 4109673 via cif-deposit CGI script.	4109673.cif