Crystallography Open Database

Information card for entry 4060501

Preview

Coordinates	4060501.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H49 Cl2 F6 O P2 Ru Sb
Calculated formula	C42 H47 F6 O P2 Ru Sb
SMILES	[Ru]1234567([P](c8ccccc8)(c8ccccc8)C(=C(C7(C(P(=[O]1)(c1ccccc1)c1ccccc1)C)C)C)C)[c]1(C)[cH]2[cH]3[c]4([cH]5[cH]61)C(C)C.[Sb](F)(F)(F)(F)(F)[F-]
Title of publication	Ruthenium Complexes of Six-Electron-Donor NUPHOS-Type Diphosphines: Highly Selective Catalysts for the Hydrocarboxylation of Terminal Alkynes
Authors of publication	Doherty, Simon; Knight, Julian G.; Rath, Rakesh K.; Clegg, William; Harrington, Ross W.; Newman, Colin R.; Campbell, Robert; Amin, Hiren
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	11
Pages of publication	2633 - 2644
a	11.2957 ± 0.0015 Å
b	13.4324 ± 0.0011 Å
c	31.891 ± 0.003 Å
α	90°
β	96.17 ± 0.013°
γ	90°
Cell volume	4810.8 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
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	0.071
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.13
Weighted residual factors for all reflections included in the refinement	0.139
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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