Information card for entry 4313405

Structure parameters

• Formula: C57 H58 Mo N4 P4
• Calculated formula: C57 H58 Mo N4 P4
• SMILES: [Mo]12([P](c3ccccc3)(c3ccccc3)CC[P]1(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1)([N]#N)[N]#CN(CC)CC
• Title of publication: Mixed Dinitrogen-Organocyanamide Complexes of Molybdenum(0) and Their Protic Conversion into Hydrazide and Amidoazavinylidene Derivatives
• Authors of publication: Sónia M. P. R. M. Cunha; M. Fátima C. Guedes da Silva; Armando J. L. Pombeiro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 2157 - 2164
• a: 14.545 ± 0.003 Å
• b: 21.756 ± 0.004 Å
• c: 31.881 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10088 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.023
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No