Information card for entry 4060676

Structure parameters

• Formula: C38 H34 N3 O5 Re
• Calculated formula: C38 H34 N3 O5 Re
• SMILES: [Re]1([n]2ccccc2c2[n]1cccc2)(N(C(=O)C(c1ccccc1)c1ccccc1)c1ccc(cc1)C)(C#[O])(C#[O])C#[O].O1CCCC1
• 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: 8.7734 ± 0.0017 Å
• b: 11.721 ± 0.002 Å
• c: 16.512 ± 0.003 Å
• α: 101.297 ± 0.004°
• β: 90.51 ± 0.004°
• γ: 99.202 ± 0.004°
• Cell volume: 1642.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0464
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No