Information card for entry 4331632

Structure parameters

• Formula: C64 H58 Cl2 Mo N2 O P4
• Calculated formula: C64 H58 Cl2 Mo N2 O P4
• SMILES: [Mo]12(Cl)(Cl)([P](N([P]1(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](N([P]2(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1
• Title of publication: Preparation, Characterization, and Reactivity of Dinitrogen Molybdenum Complexes with Bis(diphenylphosphino)amine Derivative Ligands that Form a Unique 4-Membered P-N-P Chelate Ring
• Authors of publication: Takahiko Ogawa; Yuji Kajita; Yuko Wasada-Tsutsui; Hiroaki Wasada; Hideki Masuda
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 182 - 195
• a: 11.5756 ± 0.0001 Å
• b: 12.6994 ± 0.0002 Å
• c: 20.0643 ± 0.0005 Å
• α: 89.589 ± 0.004°
• β: 79.536 ± 0.004°
• γ: 74.163 ± 0.003°
• Cell volume: 2787.56 ± 0.1 ų
• Cell temperature: 173.1 K
• Ambient diffraction temperature: 173.1 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 significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No