Information card for entry 4312267

Structure parameters

• Common name: p-tert.Butylcalix[4]arene nitrido molybdate (VI) Tetra(ethyl)ammonium salt
• Formula: C80 H109.5 Mo1.5 N5.5 O6
• Calculated formula: C80 H109.5 Mo1.5 N5.5 O6
• 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: 24.289 ± 0.005 Å
• b: 46.879 ± 0.009 Å
• c: 13.499 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15371 ± 5 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.106
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1609
• Weighted residual factors for all reflections included in the refinement: 0.1944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.56087 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No