Crystallography Open Database

Information card for entry 4074811

Preview

Coordinates	4074811.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H35 Os P
Calculated formula	C23 H35 Os P
SMILES	[Os]123456([P](C(C)C)(C(C)C)C(C)C)([cH]7[cH]4[cH]3[cH]2[cH]17)C[CH]5=[CH]6c1ccccc1
Title of publication	Preparation of Half-Sandwich Osmium-Allyl Complexes by Consecutive C−C Bond Formation and C−H Bond Activation Reactions
Authors of publication	Esteruelas, Miguel A.; González, Ana I.; López, Ana M.; Oliván, Montserrat; Oñate, Enrique
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	3
Pages of publication	693
a	9.0672 ± 0.0014 Å
b	10.3723 ± 0.0016 Å
c	11.6987 ± 0.0018 Å
α	99.221 ± 0.002°
β	95.381 ± 0.002°
γ	105.264 ± 0.002°
Cell volume	1037 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0181
Residual factor for significantly intense reflections	0.0174
Weighted residual factors for significantly intense reflections	0.0418
Weighted residual factors for all reflections included in the refinement	0.0421
Goodness-of-fit parameter for all reflections included in the refinement	1.11
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
178637 (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 4/07/48.	4074811.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074811.cif
48845	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4074811, 4074812, 4074813 via cif-deposit CGI script.	4074811.cif