Information card for entry 4343186

Structure parameters

• Common name: trans-Mo(N2)2(PMePh2)2(P_Et2-PN2, N_ArF)
• Formula: C50 H60 F4 Mo N6 O P4
• Calculated formula: C50 H60 F4 Mo N6 O P4
• SMILES: C(Nc1c(cc(cc1)F)F)[P]1(CNc2c(cc(cc2)F)F)CC[P](CC)(CC)[Mo]1([N]#N)([N]#N)([P](C)(c1ccccc1)c1ccccc1)[P](C)(c1ccccc1)c1ccccc1.C1CCCO1
• 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: 12.9035 ± 0.0006 Å
• b: 13.5913 ± 0.0006 Å
• c: 14.4595 ± 0.0006 Å
• α: 87.571 ± 0.002°
• β: 81.87 ± 0.002°
• γ: 78.662 ± 0.002°
• Cell volume: 2461.09 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No