Information card for entry 4343189

Structure parameters

• Common name: trans-Mo(N2)2(PMePh2)2(P_Et2-PN2, N_Ph)
• Formula: C46 H56 Mo N6 P4
• Calculated formula: C46 H56 Mo N6 P4
• SMILES: C(Nc1ccccc1)[P]1(CNc2ccccc2)CC[P](CC)(CC)[Mo]1([N]#N)([N]#N)([P](C)(c1ccccc1)c1ccccc1)[P](C)(c1ccccc1)c1ccccc1
• 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: 10.9713 ± 0.0007 Å
• b: 12.6241 ± 0.0007 Å
• c: 16.4729 ± 0.001 Å
• α: 76.393 ± 0.003°
• β: 80.673 ± 0.003°
• γ: 82.264 ± 0.003°
• Cell volume: 2177.1 ± 0.2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No