Information card for entry 7032504

Structure parameters

• Chemical name: cis-2a
• Formula: C20 H18 O6 Re2 Si2
• Calculated formula: C20 H18 O6 Re2 Si2
• SMILES: [Re]1234([c]56[cH]4[cH]3[cH]2[c]16[Si]([c]12[Re]346([c]1([cH]6[cH]4[cH]23)[Si]5(C)C)(C#[O])(C#[O])C#[O])(C)C)(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis and structures of doubly-bridged dicyclopentadienyl dinuclear rhenium complexes, and their photochemical reactions with aromatic halides in benzene.
• Authors of publication: Zhu, Bolin; Huang, Xinwei; Hao, Xiaoting
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 44
• Pages of publication: 16726 - 16736
• a: 7.173 ± 0.002 Å
• b: 9.475 ± 0.003 Å
• c: 18.023 ± 0.005 Å
• α: 100.66 ± 0.005°
• β: 98.4 ± 0.004°
• γ: 102.954 ± 0.005°
• Cell volume: 1150.4 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1608
• Weighted residual factors for all reflections included in the refinement: 0.1664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No