Information card for entry 4322253

Structure parameters

• Formula: C15 H63 Mo N3 O18
• Calculated formula: C15 H45 Mo N3 O18
• Title of publication: Oxidations of (R3tach)M(CO)3 Complexes [M = Cr, Mo, W; R3tach = 1,3,5-Trialkyl-1,3,5-triazacyclohexane (R =t-Bu, Bn)]. Crystal Structures of (t-Bu3tach)MO3.15H2O (M = Mo, W)
• Authors of publication: Murray V. Baker; Michael R. North; Brian W. Skelton; Allan H. White
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 4515 - 4521
• a: 21.026 ± 0.002 Å
• b: 21.026 ± 0.002 Å
• c: 13.418 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5137.3 ± 1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for all reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.032
• Goodness-of-fit parameter for all reflections: 4.328
• Goodness-of-fit parameter for significantly intense reflections: 3.747
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No