Information card for entry 7038251

Structure parameters

• Formula: C24 H40 N4 O2 P2 Rh2
• Calculated formula: C24 H40 N4 O2 P2 Rh2
• SMILES: c12n3cc[n]1[Rh]1(c4n(cc[n]4[Rh]2(C#[O])[P]3(C(C)(C)C)C(C)(C)C)[P]1(C(C)(C)C)C(C)(C)C)C#[O]
• Title of publication: Transition metal (Rh and Fe) complexes and main-group (Se and B) adducts with N,N'-diphosphanyl NHC ligands: a study of stereoelectronic properties.
• Authors of publication: Ai, Pengfei; Danopoulos, Andreas A.; Braunstein, Pierre
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 11
• Pages of publication: 4771 - 4779
• a: 15.9082 ± 0.0005 Å
• b: 14.5038 ± 0.0003 Å
• c: 25.3341 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5845.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.1534
• Residual factor for significantly intense reflections: 0.1022
• Weighted residual factors for significantly intense reflections: 0.1914
• Weighted residual factors for all reflections included in the refinement: 0.213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.289
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No