Information card for entry 7026712

Structure parameters

• Formula: C47 H48 Cl4 N2 O4 P4 Rh2
• Calculated formula: C47 H48 Cl4 N2 O4 P4 Rh2
• SMILES: [Rh]1(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2O[P]21N([P]1([Rh](Cl)([P](c3c(O1)cccc3)(c1ccccc1)c1ccccc1)C#[O])N2C(C)(C)C)C(C)(C)C)C#[O].C(Cl)Cl
• Title of publication: Transition metal chemistry of cyclodiphosphanes containing phosphine and amide-phosphine functionalities: formation of a stable dipalladium(II) complex containing a Pd-P σ-bond.
• Authors of publication: Balakrishna, Maravanji S.; Venkateswaran, Ramalingam; Mague, Joel T.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 46
• Pages of publication: 11149 - 11162
• a: 10.3543 ± 0.0008 Å
• b: 28.627 ± 0.002 Å
• c: 17.0271 ± 0.0013 Å
• α: 90°
• β: 100.523 ± 0.001°
• γ: 90°
• Cell volume: 4962.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No