Crystallography Open Database

Information card for entry 4064047

Preview

Coordinates	4064047.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H56 B O3 Os P
Calculated formula	C52 H56 B O3 Os P
SMILES	[Os]12345(C#[O])(Cc6ccccc6)([c]6([cH]5[cH]4[c]3([cH]2[cH]16)C)C(C)C)[P](OCC)(OCC)c1ccccc1.[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	13.5866 ± 0.001 Å
b	13.5816 ± 0.0011 Å
c	24.7454 ± 0.0018 Å
α	90°
β	94.385 ± 0.002°
γ	90°
Cell volume	4552.8 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0818
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0817
Weighted residual factors for all reflections included in the refinement	0.1074
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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.	4064047.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064047.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064047.cif
32768	2012-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4064045, 4064046, 4064047 via cif-deposit CGI script.	4064047.cif