Crystallography Open Database

Information card for entry 2242196

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Structure parameters

Chemical name	[1,2-Bis(diphenylphosphanyl)benzene]heptacarbonyldi-μ-hydrido-(μ~3~-2,4,6-trimethylphenylphosphinidene)-<i>triangulo</i>-triruthenium
Formula	C46 H37 O7 P3 Ru3
Calculated formula	C46 H37 O7 P3 Ru3
SMILES	[Ru]123([H][Ru]4([Ru]([H]3)([P]14c1c(cc(cc1C)C)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1[P]2(c1ccccc1)c1ccccc1)C#[O]
Title of publication	Crystal structure of [1,2-bis(diphenylphosphanyl)benzene]heptacarbonyldi-μ-hydrido-(μ~3~-2,4,6-trimethylphenylphosphinidene)-<i>triangulo</i>-triruthenium
Authors of publication	Kakizawa, Taeko
Journal of publication	Acta Crystallographica Section E
Year of publication	2017
Journal volume	73
Journal issue	7
Pages of publication	945 - 948
a	10.9732 ± 0.0002 Å
b	19.4127 ± 0.0003 Å
c	22.1186 ± 0.0002 Å
α	114.172 ± 0.0011°
β	90.2641 ± 0.0014°
γ	92.5256 ± 0.0013°
Cell volume	4293.07 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0659
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for significantly intense reflections	0.1385
Weighted residual factors for all reflections included in the refinement	0.1461
Goodness-of-fit parameter for all reflections included in the refinement	1.146
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
199164 (current)	2017-07-25	cif/ hkl/ Adding structures of 2242196 via cif-deposit CGI script.	2242196.cif 2242196.hkl