Information card for entry 4302885

Structure parameters

• Formula: C122 H162 Bi2 Mo4 O24
• Calculated formula: C110 H130 Bi2 Mo4 O21
• Title of publication: Heterobimetallic Bismuth(III)/Molybdenum(VI) and Antimony(III)/Molybdenum(VI) Calix[5]arene Complexes. Progress toward Modeling the SOHIO Catalyst
• Authors of publication: Daniel Mendoza-Espinosa; Tracy A. Hanna
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 7452 - 7456
• a: 15.9705 ± 0.0013 Å
• b: 18.4194 ± 0.0015 Å
• c: 23.3498 ± 0.0018 Å
• α: 97.864 ± 0.002°
• β: 101.889 ± 0.001°
• γ: 96.208 ± 0.001°
• Cell volume: 6592 ± 0.9 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No