Information card for entry 4067109

Structure parameters

• Formula: C83 H67 B3 Cl4 F12 N4 O4 P4 Rh4
• Calculated formula: C83 H65 B3 Cl4 F12 N4 O4 P4 Rh4
• SMILES: [Rh]1234([Rh]567([Rh]8([P](Cc9[n]8[n]3c(c3c9cccc3)C[P]2(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)([C]47([Rh]21([P](Cc1[n]2[n]6c(c2c1cccc2)C[P]5(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C#[O])#Cc1ccc(cc1)C)C#[O])C#[O])C#[O].ClCCl.ClCCl.[B](F)(F)(F)[F-].[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: 14.45 ± 0.01 Å
• b: 21.12 ± 0.02 Å
• c: 28.27 ± 0.02 Å
• α: 90°
• β: 102.86 ± 0.04°
• γ: 90°
• Cell volume: 8411 ± 12 ų
• Cell temperature: 213 K
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 9
• 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: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.1999
• Goodness-of-fit parameter for all reflections included in the refinement: 0.789
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No