Information card for entry 7018633

Structure parameters

• Formula: C58 H64 N4 O1.5 P4 W
• Calculated formula: C52 H52 N4 P4 W
• SMILES: [W]([N]#N)([N]#N)([P](c1ccccc1)(c1ccccc1)C)([P](c1ccccc1)(c1ccccc1)C)([P](c1ccccc1)(c1ccccc1)C)[P](c1ccccc1)(c1ccccc1)C
• 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: 11.5609 ± 0.0004 Å
• b: 14.1387 ± 0.0005 Å
• c: 17.2056 ± 0.0006 Å
• α: 77.049 ± 0.001°
• β: 72.32 ± 0.001°
• γ: 83.343 ± 0.001°
• Cell volume: 2607.89 ± 0.16 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: 0.0584
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.2133
• Weighted residual factors for all reflections included in the refinement: 0.2204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.835
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No