Information card for entry 1513865

Structure parameters

• Formula: C45 H51 Cr N3 P3
• Calculated formula: C45 H51 Cr N3 P3
• SMILES: [Cr](N(P(c1ccccc1)c1ccccc1)C(C)C)(N(P(c1ccccc1)c1ccccc1)C(C)C)N(P(c1ccccc1)c1ccccc1)C(C)C
• Title of publication: A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes
• Authors of publication: Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M.
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 4
• Pages of publication: 1617
• a: 13.0611 ± 0.0005 Å
• b: 16.5349 ± 0.0007 Å
• c: 22.6345 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4888.2 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for all reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9617
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No