Crystallography Open Database

Information card for entry 2011128

2011127 << 2011128 >> 2011129

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Structure parameters

Chemical name	nonacarbonyl-1κ^3^C,2κ^2^C,3κ^4^C-dicyclohexylphosphine-2κP-μ-hydrido- 1:2κ^2^H-μ-(2-naphthylthio)-1:2κ^2^S-triangulo-triosmium
Formula	C31 H31 O9 Os3 P S
Calculated formula	C31 H31 O9 Os3 P S
SMILES	[Os]1([Os]2([H]3)([S]([Os]123([PH](C1CCCCC1)C1CCCCC1)(C#[O])C#[O])c1cc2ccccc2cc1)(C#[O])(C#[O])C#[O])(C#[O])(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	10.214 ± 0.002 Å
b	12.997 ± 0.002 Å
c	14.409 ± 0.001 Å
α	69.16 ± 0.01°
β	80.58 ± 0.01°
γ	76.62 ± 0.01°
Cell volume	1732.2 ± 0.5 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.057
Residual factor for significantly intense reflections	0.04
Weighted residual factors for all reflections included in the refinement	0.104
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

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