Information card for entry 4348838

Structure parameters

• Formula: C62 H72 Au2 N4 O8 Re2
• Calculated formula: C62 H72 Au2 N4 O8 Re2
• SMILES: C1(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=[Au]1[Re]2(C#[O])(C#[O])(C#[O])(C#[O])[Au](=C3N(C=CN3c3c(cccc3C(C)C)C(C)C)c3c(cccc3C(C)C)C(C)C)[Re]12(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis and Reactivity of Electronically Unsaturated Dirhenium Carbonyl Compounds Containing Bridging Gold-Carbene Groups.
• Authors of publication: Adams, Richard D.; Dhull, Poonam; Rassolov, Vitaly; Wong, Yuen Onn
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 20
• Pages of publication: 10475 - 10483
• a: 12.4221 ± 0.0005 Å
• b: 16.2998 ± 0.0006 Å
• c: 16.8304 ± 0.0006 Å
• α: 90°
• β: 97.224 ± 0.001°
• γ: 90°
• Cell volume: 3380.7 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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 all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No