Information card for entry 4312269

Structure parameters

• Common name: p-tert.Butylcalix[4]arene tri(methyl)phosphine molybdenum(IV)
• Formula: C58 H73 Mo N O4 P
• Calculated formula: C58 H73 Mo N O4 P
• Title of publication: The (Calix[4]arene)chloromolybdate(IV) Anion [MoCl(Calix)]-: A Convenient Entry into Molybdenum Calix[4]arene Chemistry
• Authors of publication: Udo Radius; J. Attner
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 8587 - 8599
• a: 12.777 ± 0.003 Å
• b: 18.352 ± 0.004 Å
• c: 24.604 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5769 ± 2 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• 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: 0.0848
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1666
• Weighted residual factors for all reflections included in the refinement: 0.1782
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No