Information card for entry 4060677

Structure parameters

• Formula: C32 H34 N3 O8 Re
• Calculated formula: C32 H34 N3 O8 Re
• SMILES: [Re]12([n]3ccccc3c3[n]1cccc3)(C#[O])(C#[O])=C(O)C(=C(N2c1ccc(cc1)C)C(=O)OCC)C(=O)OCC.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: 8.895 ± 0.002 Å
• b: 13.262 ± 0.003 Å
• c: 15.644 ± 0.004 Å
• α: 65.453 ± 0.004°
• β: 81.655 ± 0.004°
• γ: 80.031 ± 0.004°
• Cell volume: 1647.8 ± 0.7 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: 0.0341
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No