Information card for entry 1518817

Structure parameters

• Formula: C27 H63 Cr N3 P3
• Calculated formula: C27 H63 Cr N3 P3
• SMILES: [Cr](N(P(C(C)C)C(C)C)C(C)C)(N(P(C(C)C)C(C)C)C(C)C)N(P(C(C)C)C(C)C)C(C)C
• Title of publication: Synthesis and investigation of the metal-metal interactions in heterobimetallic Cr/Rh and Cr/Ir complexes
• Authors of publication: Subramaniam Kuppuswamy; T.R. Cass; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2015
• Journal volume: 424
• Pages of publication: 167 - 172
• a: 10.9791 ± 0.0002 Å
• b: 18.4206 ± 0.0004 Å
• c: 17.388 ± 0.0004 Å
• α: 90°
• β: 104.796 ± 0.001°
• γ: 90°
• Cell volume: 3399.97 ± 0.13 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for all reflections: 0.0805
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9887
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No