Information card for entry 4078498

Structure parameters

• Formula: C45 H44 Cl7 F6 Ni O2 P5 Rh2
• Calculated formula: C45 H44 Cl7 F6 Ni O2 P5 Rh2
• SMILES: [Rh]12([Cl][Rh]3([Cl][Ni]4([Cl]2)[P](C[P]1(c1ccccc1)c1ccccc1)(CCC[P]4(C[P]3(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)C#[O])C#[O].ClCCl.ClCCl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Cyclic Trinuclear Rh2M Complexes (M = Rh, Pt, Pd, Ni) Supported bymeso-1,3-Bis[(diphenylphosphinomethyl)phenylphosphino]propane
• Authors of publication: Nakajima, Takayuki; Kurai, Sachi; Noda, Sayo; Zouda, Maki; Kure, Bunsho; Tanase, Tomoaki
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 11
• Pages of publication: 4283
• a: 9.4603 ± 0.0009 Å
• b: 18.4033 ± 0.0011 Å
• c: 31.2044 ± 0.0019 Å
• α: 90°
• β: 98.529 ± 0.004°
• γ: 90°
• Cell volume: 5372.6 ± 0.7 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 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 significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.1938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No