Information card for entry 4075027

Structure parameters

• Common name: RhIPTN(Me)CO
• Formula: C8 H16 I N3 O P Rh
• Calculated formula: C8 H16 I N3 O P Rh
• SMILES: C(#[O])[Rh]1([N]2(CN3C[P]1(C)CN(C3)C2)C)I
• Title of publication: A New Class of Rhodium(I) κ1-Pand κ2-P,NComplexes with Rigid PTN(R) Ligands (PTN = 7-Phospha-3-methyl-1,3,5-triazabicyclo[3.3.1]nonane)
• Authors of publication: Phillips, Andrew D.; Bolaño, Sandra; Bosquain, Sylvain S.; Daran, Jean-Claude; Malacea, Raluca; Peruzzini, Maurizio; Poli, Rinaldo; Gonsalvi, Luca
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 9
• Pages of publication: 2189
• a: 12.5944 ± 0.0012 Å
• b: 12.1571 ± 0.0009 Å
• c: 17.0443 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2609.7 ± 0.4 ų
• Cell temperature: 73 ± 2 K
• Ambient diffraction temperature: 73 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No