Information card for entry 7032505

Structure parameters

• Chemical name: cis-2b
• Formula: C21 H18 O6 Re2 Si
• Calculated formula: C21 H18 O6 Re2 Si
• SMILES: [c]123[c]4([cH]5[cH]6[cH]1[Re]3456(C#[O])(C#[O])C#[O])[Si]([c]13[cH]4[cH]5[cH]6[c]1(C2(C)C)[Re]3456(C#[O])(C#[O])C#[O])(C)C
• 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: 13.595 ± 0.004 Å
• b: 14.692 ± 0.004 Å
• c: 11.089 ± 0.003 Å
• α: 90°
• β: 90.314 ± 0.004°
• γ: 90°
• Cell volume: 2214.9 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No