Crystallography Open Database

Information card for entry 2011127

2011126 << 2011127 >> 2011128

Preview

Structure parameters

Chemical name	nonacarbonyl-1κ^3^C,2κ^3^C,3κ^3^C-dicyclohexylphosphine-3κP-μ-hydrido- 1:2κ^2^H-μ-phenylthio-1:2κ^2^S-triangulo-triosmium
Formula	C27 H29 O9 Os3 P S
Calculated formula	C27 H29 O9 Os3 P S
SMILES	[Os]1([Os]23([S]([Os]12([H]3)(C#[O])(C#[O])C#[O])c1ccccc1)(C#[O])(C#[O])C#[O])([PH](C1CCCCC1)C1CCCCC1)(C#[O])(C#[O])C#[O]
Title of publication	Hydrido-sulfido-bridged triangular Os~3~ cluster compounds with different phosphine ligand substitution patterns
Authors of publication	Flörke, Ulrich; Egold, Hans; Schraa, Markus
Journal of publication	Acta Crystallographica Section C
Year of publication	2000
Journal volume	56
Journal issue	7
Pages of publication	760 - 762
a	20.893 ± 0.003 Å
b	9.01 ± 0.002 Å
c	33.399 ± 0.005 Å
α	90°
β	91.04 ± 0.01°
γ	90°
Cell volume	6286.2 ± 1.9 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.103
Residual factor for significantly intense reflections	0.045
Weighted residual factors for all reflections included in the refinement	0.077
Goodness-of-fit parameter for all reflections included in the refinement	0.924
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Version history is temporarily not available due to server issues.