Crystallography Open Database

Information card for entry 4064045

Preview

Coordinates	4064045.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H60 B Cl O3 Os P
Calculated formula	C54 H60 B Cl O3 Os P
SMILES	[Os]12345(Cl)([P](c6ccccc6)(OCC)OCC)(C(OCC)=Cc6ccccc6)[c]6([cH]5[cH]4[c]3([cH]2[cH]16)C)C(C)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Preparation of Half-Sandwich Alkoxycarbene Complexes of Osmium(II)
Authors of publication	Albertin, Gabriele; Antoniutti, Stefano; Castro, Jesús
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	6
Pages of publication	1558
a	12.3115 ± 0.001 Å
b	14.1504 ± 0.0012 Å
c	14.4752 ± 0.0012 Å
α	75.418 ± 0.002°
β	77.243 ± 0.002°
γ	87.722 ± 0.002°
Cell volume	2380 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0611
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0754
Weighted residual factors for all reflections included in the refinement	0.0851
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
178502 (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 4/06/40.	4064045.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064045.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064045.cif
32768	2012-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4064045, 4064046, 4064047 via cif-deposit CGI script.	4064045.cif