Information card for entry 1513870

Structure parameters

• Formula: C48 H57 Cr Cu I N3 O0.75 P3
• Calculated formula: C48 H57 Cr Cu I N3 O0.75 P3
• 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: 10.7036 ± 0.0003 Å
• b: 22.2854 ± 0.0006 Å
• c: 22.5333 ± 0.0006 Å
• α: 61.763 ± 0.001°
• β: 81.327 ± 0.001°
• γ: 87.515 ± 0.001°
• Cell volume: 4678.8 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections: 0.1193
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No