Information card for entry 7704576

Structure parameters

• Formula: C64 H70 Cl2 N12 O13 Re2
• Calculated formula: C46 H28 Cl2 N6 O7 Re2
• SMILES: [Re]1(Cl)([n]2c(c3c(O)c(cc(c3)c3ccc4c5c3ccc3c5c(ccc3)cc4)c3[n]4[Re](Cl)([n]5c(n(C)cc5)c4ccc3)(C#[O])(C#[O])C#[O])cccc2c2[n]1ccn2C)(C#[O])(C#[O])C#[O]
• Title of publication: A dinuclear rhenium complex in the electrochemically driven homogeneous and heterogeneous H⁺/CO₂-reduction.
• Authors of publication: Paul, Lucas A.; Rajabi, Sheida; Jooss, Christian; Meyer, Franc; Ebrahimi, Fatemeh; Siewert, Inke
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 24
• Pages of publication: 8367 - 8374
• a: 8.905 ± 0.0009 Å
• b: 20.176 ± 0.003 Å
• c: 20.556 ± 0.002 Å
• α: 92.208 ± 0.004°
• β: 97.473 ± 0.003°
• γ: 99.79 ± 0.005°
• Cell volume: 3601.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.1001
• 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