Crystallography Open Database

Information card for entry 4066924

Preview

Coordinates	4066924.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H36 Cl N2 Os P
Calculated formula	C15 H36 Cl N2 Os P
SMILES	[Os]123([P](C(C)C)(C(C)C)C(C)C)(Cl)([NH2]C[CH]1=[CH2]2)[NH2]CCC3
Title of publication	Efficient Concatenation of C═C Reduction, C−H Bond Activation, and C−C and C−N Coupling Reactions on Osmium: Assembly of Two Allylamines and an Allene
Authors of publication	Baya, Miguel; Esteruelas, Miguel A.; Oñate, Enrique
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	23
Pages of publication	6298
a	17.0286 ± 0.0019 Å
b	15.1283 ± 0.0017 Å
c	14.5231 ± 0.0016 Å
α	90°
β	99.836 ± 0.008°
γ	90°
Cell volume	3686.4 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0505
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.0867
Weighted residual factors for all reflections included in the refinement	0.0888
Goodness-of-fit parameter for all reflections included in the refinement	1.224
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
178561 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/69.	4066924.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066924.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066924.cif
34025	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066924, 4066925, 4066926, 4066927 via cif-deposit CGI script.	4066924.cif