Information card for entry 4069608

Structure parameters

• Formula: C40 H46 Mo N4 P4 Ru
• Calculated formula: C40 H46 Mo N4 P4 Ru
• SMILES: [Ru]123456789[c]%10([cH]4[cH]3[cH]2[cH]1%10)[P]([Mo]([P]([c]15[cH]6[cH]7[cH]8[cH]91)(C)C)([P](C)(c1ccccc1)c1ccccc1)([P](C)(c1ccccc1)c1ccccc1)([N]#N)[N]#N)(C)C
• Title of publication: Synthesis and Protonolysis of Tungsten− and Molybdenum−Dinitrogen Complexes Bearing Ruthenocenyldiphosphines
• Authors of publication: Yuki, Masahiro; Midorikawa, Tatsuya; Miyake, Yoshihiro; Nishibayashi, Yoshiaki
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 16
• Pages of publication: 4741
• a: 12.9067 ± 0.0005 Å
• b: 22.0993 ± 0.0007 Å
• c: 14.0746 ± 0.0006 Å
• α: 90°
• β: 104.097 ± 0.0013°
• γ: 90°
• Cell volume: 3893.6 ± 0.3 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No