Crystallography Open Database

Information card for entry 4075661

Preview

Coordinates	4075661.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H59 Cl O Os P2 Sn
Calculated formula	C34 H59 Cl O Os P2 Sn
SMILES	[OsH2]1([Sn](Cl)(c2ccccc2)c2ccccc2)([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)OC(=CC=1)C
Title of publication	C(sp2)−H Activation of RCHE−py (E = CH, N) and RCHCHC(O)R‘ Substrates Promoted by a Highly Unsaturated Osmium−Monohydride Complex
Authors of publication	Eguillor, Beatriz; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	7
Pages of publication	1428
a	10.5516 ± 0.0008 Å
b	19.3519 ± 0.0014 Å
c	17.6856 ± 0.0013 Å
α	90°
β	94.708 ± 0.001°
γ	90°
Cell volume	3599.1 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0225
Residual factor for significantly intense reflections	0.0185
Weighted residual factors for significantly intense reflections	0.0373
Weighted residual factors for all reflections included in the refinement	0.038
Goodness-of-fit parameter for all reflections included in the refinement	0.944
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
178645 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/56.	4075661.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075661.cif
50608	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4075660, 4075661 via cif-deposit CGI script.	4075661.cif