Information card for entry 4078501

Structure parameters

• Formula: C45 H44 Br2 Cl6 F6 Hg O2 P5 Rh3
• Calculated formula: C45 H44 Br2 Cl6 F6 Hg O2 P5 Rh3
• SMILES: [Hg]12([Rh]34([Br][Rh]52([Cl][Rh]21([Cl]3)[P](C[P]4(c1ccccc1)c1ccccc1)(CCC[P]2(C[P]5(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)C#[O])C#[O])Br.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: 12.894 ± 0.01 Å
• b: 20.027 ± 0.014 Å
• c: 21.505 ± 0.016 Å
• α: 90°
• β: 99.159 ± 0.012°
• γ: 90°
• Cell volume: 5482 ± 7 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 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: 0.0414
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No