Information card for entry 4080567

Structure parameters

• Formula: C32 H52 Cl Mo P2 Zr
• Calculated formula: C32 H52 Cl Mo P2 Zr
• SMILES: [Mo]123456([Cl][Zr]789%10%11%12%13%14([c]%15([P]1(CC)CC)[cH]8[cH]9[cH]%10[cH]%11%15)([c]1([P]2(CC)CC)[cH]%12[cH]%13[cH]%14[cH]71)CCCC)[c]1([c]4([c]5([c]6([c]31C)C)C)C)C
• 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: 9.34028 ± 0.00017 Å
• b: 19.5084 ± 0.0004 Å
• c: 18.0472 ± 0.0004 Å
• α: 90°
• β: 90.4352 ± 0.0007°
• γ: 90°
• Cell volume: 3288.36 ± 0.12 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: 0.0221
• Weighted residual factors for all reflections included in the refinement: 0.0553
• 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