Crystallography Open Database

Information card for entry 4086364

Preview

Coordinates	4086364.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H59 Cl6 N O Os P2
Calculated formula	C31 H59 Cl6 N O Os P2
SMILES	[OsH]([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)(Cl)(Cl)#CCCCNC(=O)c1ccccc1.ClCCl.ClCCl
Title of publication	Amide-Directed Formation of Five-Coordinate Osmium Alkylidenes from Alkynes.
Authors of publication	Casanova, Noelia; Esteruelas, Miguel A.; Gulías, Moisés; Larramona, Carmen; Mascareñas, José L; Oñate, Enrique
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	2
Pages of publication	91 - 99
a	15.774 ± 0.004 Å
b	13.012 ± 0.003 Å
c	20.173 ± 0.005 Å
α	90°
β	105.651 ± 0.004°
γ	90°
Cell volume	3987 ± 1.7 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	0.0579
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0652
Weighted residual factors for all reflections included in the refinement	0.0719
Goodness-of-fit parameter for all reflections included in the refinement	0.997
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
177429 (current)	2016-03-04	cif/ Updating files of 4086362, 4086363, 4086364, 4086365 Original log message: Adding full bibliography for 4086362--4086365.cif.	4086364.cif
175806	2016-02-04	cif/ Updating files of 4086362, 4086363, 4086364, 4086365 Original log message: Adding full bibliography for 4086362--4086365.cif.	4086364.cif
171826	2016-01-01	cif/ Adding structures of 4086362, 4086363, 4086364, 4086365 via cif-deposit CGI script.	4086364.cif