Crystallography Open Database

Information card for entry 7011196

Preview

Coordinates	7011196.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H31 Cl F6 Os P2
Calculated formula	C27 H31 Cl F6 Os P2
SMILES	[Os]12345([P](C)(C)C)(Cl)(=C=C=C(c6ccccc6)c6ccccc6)[c]6([cH]1[c]2([cH]3[c]4([cH]56)C)C)C.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Synthesis, molecular structure, and reactivity of allenylideneosmium complexes of the half-sandwich-type
Authors of publication	Birgit Weberndörfer; Helmut Werner
Journal of publication	J. Chem. Soc., Dalton Trans.
Year of publication	2002
Journal issue	7
Pages of publication	1479 - 1486
a	8.424 ± 0.003 Å
b	14.521 ± 0.002 Å
c	23.448 ± 0.008 Å
α	90°
β	99.043 ± 0.015°
γ	90°
Cell volume	2832.6 ± 1.5 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.0885
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1049
Weighted residual factors for all reflections included in the refinement	0.124
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
179815 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/11.	7011196.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011196.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011196.cif
11752	2011-02-18	cif/7/ Redepositing RSC CIFs that were formally processed with an old version of cif_fix_values script.	7011196.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011196.cif