Information card for entry 7041549

Structure parameters

• Chemical name: MoO2(R-AMD)2 (AMD = N,N?-di-R-acetamidinate) R = cyclohexyl
• Formula: C28 H50 Mo N4 O2
• Calculated formula: C28 H50 Mo N4 O2
• SMILES: [Mo]12(=O)([N](=C(C)N2C2CCCCC2)C2CCCCC2)(=O)[N](C2CCCCC2)=C(N1C1CCCCC1)C
• Title of publication: Second-generation hexavalent molybdenum oxo-amidinate precursors for atomic layer deposition.
• Authors of publication: Jurca, T.; Peters, A. W.; Mouat, A. R.; Farha, O. K.; Hupp, J. T.; Lohr, T. L.; Delferro, M.; Marks, T. J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 4
• Pages of publication: 1172 - 1178
• a: 11.4715 ± 0.0002 Å
• b: 11.6621 ± 0.0002 Å
• c: 21.5619 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2884.59 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.06 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 0.79
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No