Information card for entry 4080568

Structure parameters

• Formula: C32 H52 Cl Hf Mo P2
• Calculated formula: C32 H52 Cl Hf Mo P2
• SMILES: [Hf]123456789%10([Cl][Mo]%11%12%13%14([P]([c]%152[cH]3[cH]4[cH]5[cH]%151)(CC)CC)([P]([c]17[cH]8[cH]9[cH]%10[cH]61)(CC)CC)[c]1([c]%12([c]%13([c]%14([c]%111C)C)C)C)C)CCCC
• 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: 9.3302 ± 0.0003 Å
• b: 19.5282 ± 0.0005 Å
• c: 18.0595 ± 0.0005 Å
• α: 90°
• β: 90.5325 ± 0.0007°
• γ: 90°
• Cell volume: 3290.34 ± 0.16 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.0174
• Weighted residual factors for all reflections included in the refinement: 0.0406
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No