Information card for entry 7018631

Structure parameters

• Formula: C22 H54 Mo N6 P4
• Calculated formula: C22 H54 Mo N6 P4
• SMILES: [Mo]12([N]#N)([N]#N)([P](CC)(CC)CN(C)C[P]1(CC)CC)[P](CC)(CC)CN(C)C[P]2(CC)CC
• Title of publication: Synthesis and reactivity of molybdenum and tungsten bis(dinitrogen) complexes supported by diphosphine chelates containing pendant amines.
• Authors of publication: Weiss, Charles J.; Groves, Amy N.; Mock, Michael T.; Dougherty, William G.; Kassel, W. Scott; Helm, Monte L.; Dubois, Daniel L.; Bullock, R. Morris
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 15
• Pages of publication: 4517 - 4529
• a: 19.7747 ± 0.0013 Å
• b: 10.2104 ± 0.0007 Å
• c: 15.55 ± 0.001 Å
• α: 90°
• β: 101.199 ± 0.002°
• γ: 90°
• Cell volume: 3079.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No