Information card for entry 1518819

Structure parameters

• Formula: C27 H63 Cl Cr Ir N3 P3
• Calculated formula: C27 H63 Cl Cr Ir N3 P3
• SMILES: [Ir]123([Cr](Cl)(N(C(C)C)[P]1(C(C)C)C(C)C)N(C(C)C)[P]2(C(C)C)C(C)C)[P](N3C(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: 40.9192 ± 0.0015 Å
• b: 8.6971 ± 0.0003 Å
• c: 22.0568 ± 0.0008 Å
• α: 90°
• β: 116.926 ± 0.002°
• γ: 90°
• Cell volume: 6998.6 ± 0.5 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for all reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.054
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9532
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No