Information card for entry 4060675

Structure parameters

• Formula: C29 H25 Cl2 N4 O3 Re S
• Calculated formula: C29 H25 Cl2 N4 O3 Re S
• SMILES: [Re]1(SC(=N\c2ccc(cc2)C)/Nc2ccc(cc2)C)(C#[O])(C#[O])(C#[O])[n]2ccccc2c2[n]1cccc2.C(Cl)Cl
• Title of publication: Reactivity of the Amido Complex [Re(NHpTol)(CO)3(bipy)] toward Neutral Organic Electrophiles
• Authors of publication: Eva Hevia; Julio Pérez; Víctor Riera; Daniel Miguel
• Journal of publication: Organometallics
• Year of publication: 2003
• Journal volume: 22
• Pages of publication: 257 - 263
• a: 15.275 ± 0.003 Å
• b: 17.059 ± 0.003 Å
• c: 12.377 ± 0.002 Å
• α: 90°
• β: 109.805 ± 0.004°
• γ: 90°
• Cell volume: 3034.2 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• 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: 0.0755
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No