Information card for entry 4067112

Structure parameters

• Formula: C61 H70 B2 F8 N2 O15 P2 Rh2
• Calculated formula: C61 H70 B2 F8 N2 O15 P2 Rh2
• SMILES: [Rh]123([P](Cc4[n]1[n]1[Rh]([P](Cc1c1c4cccc1)(c1ccccc1)c1ccccc1)([OH2])(C#[O])(C(=C2C(=O)OCC)C(=O)OCC)C(=C3C(=O)OCC)C(=O)OCC)(c1ccccc1)c1ccccc1)([OH2])C#[O].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].O=C(C)C.O=C(C)C.O=C(C)C
• 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: 13.173 ± 0.008 Å
• b: 13.495 ± 0.006 Å
• c: 21.22 ± 0.01 Å
• α: 72.77 ± 0.02°
• β: 74.34 ± 0.02°
• γ: 72.62 ± 0.02°
• Cell volume: 3370 ± 3 ų
• Cell temperature: 213.2 K
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.1871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No