Information card for entry 4328525

Structure parameters

• Formula: C47 H46 Mo N4 P4
• Calculated formula: C47 H46 Mo N4 P4
• SMILES: [Mo]12([P](c3ccccc3)(c3ccccc3)CC[P]1(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)C)([N]#N)[N]#N
• Title of publication: One-Pot Synthesis of Mo0 Dinitrogen Complexes Possessing Monodentate and Multidentate Phosphine Ligands
• Authors of publication: Yalan Ning; Amy A. Sarjeant; Charlotte L. Stern; Thomas H. Peterson; SonBinh T. Nguyen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 3051 - 3058
• a: 11.4823 ± 0.0002 Å
• b: 13.2959 ± 0.0002 Å
• c: 14.9721 ± 0.0002 Å
• α: 90.163 ± 0.001°
• β: 111.876 ± 0.001°
• γ: 100.418 ± 0.001°
• Cell volume: 2080.01 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.089
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 0.795
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No