Information card for entry 4343188

Structure parameters

• Common name: [trans-Mo(NNH2)(OTf)(PMePh2)2(P_Et2-PN2, N_Ph2)][OTf]
• Formula: C70.5 H78 F6 Mo N4 O6 P4 S2
• Calculated formula: C60 H66 F6 Mo N4 O6 P4 S2
• Title of publication: Electronic and Steric Influences of Pendant Amine Groups on the Protonation of Molybdenum Bis(dinitrogen) Complexes.
• Authors of publication: Labios, Liezel A.; Heiden, Zachariah M.; Mock, Michael T.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 4409 - 4422
• a: 16.537 ± 0.0008 Å
• b: 21.5308 ± 0.001 Å
• c: 20.5235 ± 0.0008 Å
• α: 90°
• β: 112.761 ± 0.002°
• γ: 90°
• Cell volume: 6738.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No