Information card for entry 4067108

Structure parameters

• Formula: C89 H70 B2 F8 N4 O3 P4 Rh4
• Calculated formula: C89 H70 B2 F8 N4 O3 P4 Rh4
• SMILES: [Rh]1234567[Rh]89%10%11%12([Rh]%13%141([Rh]128([P](Cc2[n]1[n]%14c(c1c2cccc1)C[P]%13(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C5=O)C%11=O)(C%10=O)([C]6#Cc1ccc(cc1)C)[C]7%12#Cc1ccc(cc1)C)[P](Cc1[n]9[n]4c(c2c1cccc2)C[P]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Dirhodium Complexes Bridged by Bis(diphenylphosphino)phthalazine (PNNPPh): Central Ring Size and Charge Effects As Compared with the Pyrazolate Derivative (PNNPPy)
• Authors of publication: Yamaguchi, Takafumi; Koike, Takashi; Akita, Munetaka
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 23
• Pages of publication: 6493
• a: 18.063 ± 0.008 Å
• b: 24.72 ± 0.02 Å
• c: 19.98 ± 0.01 Å
• α: 90°
• β: 97.76 ± 0.03°
• γ: 90°
• Cell volume: 8840 ± 9 ų
• Cell temperature: 213.2 K
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 8
• 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: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.2453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.359
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No