Crystallography Open Database

Information card for entry 4105653

Preview

Coordinates	4105653.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H57 B N2 O Os P2
Calculated formula	C33 H57 B N2 O Os P2
SMILES	[Os]1([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)(B(Nc2c1cc(C)cc2)Nc1ccc(C)cc1)C#[O]
Title of publication	From Tetrahydroborate- to Aminoborylvinylidene-Osmium Complexes via Alkynyl-Aminoboryl Intermediates
Authors of publication	María L. Buil; Miguel A. Esteruelas; Karin Garcés; Enrique Oñate
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	2250 - 2263
a	10.2107 ± 0.0015 Å
b	23.871 ± 0.003 Å
c	29.595 ± 0.005 Å
α	100.687 ± 0.004°
β	90.333 ± 0.003°
γ	101.922 ± 0.005°
Cell volume	6928.2 ± 1.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0667
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1191
Weighted residual factors for all reflections included in the refinement	0.1281
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
178802 (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 4/10/56.	4105653.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4105653.cif
52414	2012-04-11	../uploads/cif-deposit/cod/cif Adding structures of 4105653 via cif-deposit CGI script.	4105653.cif