Information card for entry 4080562

Structure parameters

• Formula: C28 H43 Cl4 Mo P2 Zr
• Calculated formula: C28 H43 Cl4 Mo P2 Zr
• SMILES: [Mo]12345(Cl)(Cl)([c]6([c]4([c]2([c]5([c]36C)C)C)C)C)[P]([c]23[cH]4[Zr]56789%102(Cl)(Cl)([cH]3[cH]5[cH]46)[c]2([P]1(CC)CC)[cH]9[cH]%10[cH]7[cH]82)(CC)CC
• Title of publication: Synthesis, Structure, and Reactivity of Group VI Metal Complexes Bearing Group IV Metallocenyldiphosphine Moieties and a Pentamethylcyclopentadienyl Ligand
• Authors of publication: Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 6
• Pages of publication: 2007
• a: 11.6018 ± 0.0004 Å
• b: 13.6568 ± 0.0006 Å
• c: 20.1047 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3185.5 ± 0.2 ų
• Cell temperature: 173.1 K
• Ambient diffraction temperature: 173.1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No