Crystallography Open Database

Information card for entry 4105655

Preview

Coordinates	4105655.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H63 B N2 O2 Os P2
Calculated formula	C42 H63 B N2 O2 Os P2
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	10.5199 ± 0.0001 Å
b	14.3046 ± 0.0004 Å
c	15.6759 ± 0.0004 Å
α	107.045 ± 0.002°
β	104.592 ± 0.0019°
γ	104.807 ± 0.002°
Cell volume	2039.57 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.042
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0475
Weighted residual factors for all reflections included in the refinement	0.0491
Goodness-of-fit parameter for all reflections included in the refinement	0.908
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4105655.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4105655.cif
52416	2012-04-11	../uploads/cif-deposit/cod/cif Adding structures of 4105655 via cif-deposit CGI script.	4105655.cif