Information card for entry 4316794

Structure parameters

• Common name: Tp(iPr)MoO2(OC6H4CONH(C6H4OMe-4)-2)
• Formula: C32 H40 B Mo N7 O5
• Calculated formula: C32 H40 B Mo N7 O5
• SMILES: c1(c(cccc1)C(=O)Nc1ccc(cc1)OC)O[Mo]12(=O)(=O)[n]3c(ccn3[BH](n3ccc(C(C)C)[n]13)n1ccc(C(C)C)[n]21)C(C)C
• Title of publication: cis-Dioxo- and cis-(Hydroxo)oxo-Mo(V) Complexes Stabilized by Intramolecular Hydrogen-Bonding
• Authors of publication: Victor W. L. Ng; Michelle K. Taylor; Jonathan M. White; Charles G. Young
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 9460 - 9469
• a: 8.5817 ± 0.0002 Å
• b: 13.2801 ± 0.0003 Å
• c: 29.2857 ± 0.0005 Å
• α: 90°
• β: 94.431 ± 0.002°
• γ: 90°
• Cell volume: 3327.59 ± 0.12 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No