Information card for entry 4078502

Structure parameters

• Formula: C45 H44 Cl6 F6 Hg I2 O2 P5 Rh3
• Calculated formula: C45 H40 Cl6 F6 Hg I2 O2 P5 Rh3
• SMILES: [Hg]12(I)[Rh]345[Cl][Rh]62([I][Rh]1([Cl]3)([P](C[P@@]5(CCC[P@@]4(C[P]6(c1ccccc1)c1ccccc1)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: 12.896 ± 0.004 Å
• b: 20.279 ± 0.006 Å
• c: 21.529 ± 0.007 Å
• α: 90°
• β: 99.757 ± 0.004°
• γ: 90°
• Cell volume: 5549 ± 3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No