Information card for entry 7007462

Structure parameters

• Formula: C29 H37 Cl N2 Ni O2 P Rh S2
• Calculated formula: C29 H37 Cl N2 Ni O2 P Rh S2
• SMILES: [Rh]1([S]2[Ni]34[S]1CC[N]14CCC[N]3(CCC1)CC2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O].O.[Cl-]
• Title of publication: NiN(2)S(2) complexes as metallodithiolate ligands to Rh(I), Rh(II) and Rh(III).
• Authors of publication: Jeffery, Stephen P.; Green, Kayla N.; Rampersad, Marilyn V.; Reibenspies, Joseph H.; Darensbourg, Marcetta Y.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 35
• Pages of publication: 4244 - 4252
• a: 9.119 ± 0.005 Å
• b: 11.111 ± 0.005 Å
• c: 14.916 ± 0.005 Å
• α: 82.768 ± 0.005°
• β: 79.333 ± 0.005°
• γ: 83.661 ± 0.005°
• Cell volume: 1467.5 ± 1.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No