Information card for entry 4343185

Structure parameters

• Common name: trans-Mo(N2)2(PMePh2)2(P_Et2-PN2, N_Ph2)
• Formula: C62 H72 Mo N6 O P4
• Calculated formula: C62 H72 Mo N6 O P4
• SMILES: C(N(c1ccccc1)c1ccccc1)[P]1(CN(c2ccccc2)c2ccccc2)CC[P](CC)(CC)[Mo]1([N]#N)([N]#N)([P](C)(c1ccccc1)c1ccccc1)[P](C)(c1ccccc1)c1ccccc1.O1CCCC1
• 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: 12.5535 ± 0.0005 Å
• b: 12.8827 ± 0.0005 Å
• c: 19.9161 ± 0.0008 Å
• α: 82.813 ± 0.002°
• β: 72.667 ± 0.002°
• γ: 65.379 ± 0.002°
• Cell volume: 2795.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No