Information card for entry 4080559

Structure parameters

• Formula: C38.375 H58.75 Cl10.75 Mo2 P2 Zr
• Calculated formula: C38.375 H58 Cl10.75 Mo2 P2 Zr
• SMILES: [Mo]1234(Cl)(Cl)(Cl)(Cl)([P]([c]56[cH]7[Zr]89%10%11%12%135(Cl)(Cl)([cH]7[cH]8[cH]69)[c]5([cH]%10[cH]%11[cH]%12[cH]%135)[P]([Mo]5678(Cl)(Cl)(Cl)(Cl)[c]9([c]8([c]7([c]6([c]59C)C)C)C)C)(CC)CC)(CC)CC)[c]5([c]4([c]3([c]2([c]15C)C)C)C)C.ClCCl
• 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: 8.1657 ± 0.0003 Å
• b: 21.52 ± 0.0009 Å
• c: 27.9068 ± 0.001 Å
• α: 90°
• β: 92.9124 ± 0.001°
• γ: 90°
• Cell volume: 4897.6 ± 0.3 ų
• Cell temperature: 198 K
• Ambient diffraction temperature: 198 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.2088
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No