Information card for entry 7131275

Structure parameters

• Formula: C103 H99 Al F36 N2 O8 P2 Rh
• Calculated formula: C103 H99 Al F36 N2 O8 P2 Rh
• Title of publication: Synthesis of a rhodium(III) dinitrogen complex using a calix[4]arene-based diphosphine ligand.
• Authors of publication: Emerson-King, Jack; Pan, Sudip; Gyton, Matthew R.; Tonner-Zech, Ralf; Chaplin, Adrian B.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 15
• Pages of publication: 2150 - 2152
• a: 15.5463 ± 0.0003 Å
• b: 19.0107 ± 0.0003 Å
• c: 20.2914 ± 0.0004 Å
• α: 68.6774 ± 0.0016°
• β: 81.8355 ± 0.0014°
• γ: 69.7753 ± 0.0015°
• Cell volume: 5241.18 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.077
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No