Information card for entry 4069609

Structure parameters

• Formula: C44 H54 Fe N4 P4 W
• Calculated formula: C44 H54 Fe N4 P4 W
• SMILES: [W]1([P]([c]23[cH]4[Fe]56789%102([cH]3[cH]5[cH]46)[c]2([cH]7[cH]8[cH]9[cH]%102)[P]1(CC)CC)(CC)CC)([P](C)(c1ccccc1)c1ccccc1)([P](C)(c1ccccc1)c1ccccc1)([N]#N)[N]#N
• 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: 10.4831 ± 0.0007 Å
• b: 19.6478 ± 0.001 Å
• c: 20.8399 ± 0.001 Å
• α: 90°
• β: 100.294 ± 0.003°
• γ: 90°
• Cell volume: 4223.3 ± 0.4 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: 0.0548
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No