Crystallography Open Database

Information card for entry 4084056

Preview

Coordinates	4084056.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H54.5 B F0.5 N6 O Os P
Calculated formula	C51 H54.5 B F0.5 N6 O Os P
Title of publication	Osmium-Acyl Decarbonylation Promoted by Tp-Mediated Allenylidene Abstraction: A New Role of the Tp Ligand
Authors of publication	Bajo, Sonia; Esteruelas, Miguel A.; López, Ana M.; Oñate, Enrique
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	15
Pages of publication	4057
a	13.687 ± 0.002 Å
b	17.372 ± 0.003 Å
c	21.6 ± 0.003 Å
α	93.557 ± 0.002°
β	100.165 ± 0.002°
γ	105.928 ± 0.002°
Cell volume	4827.9 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0384
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.084
Weighted residual factors for all reflections included in the refinement	0.0877
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4084056.cif
123075	2014-09-06	cif/ Updating files of 4084056, 4084057, 4084058 Original log message: Adding full bibliography for 4084056--4084058.cif.	4084056.cif
120662	2014-07-23	cif/ Adding structures of 4084056, 4084057, 4084058 via cif-deposit CGI script.	4084056.cif