Information card for entry 2007802

Structure parameters

• Chemical name: (3,3'-dimethyl-2,2'-biquinoline)bromotricarbonylrhenium(I)
• Formula: C23 H16 Br N2 O3 Re
• Calculated formula: C23 H16 Br N2 O3 Re
• SMILES: [Re]1(Br)(C#[O])(C#[O])(C#[O])[n]2c3c(cc(C)c2c2[n]1c1ccccc1cc2C)cccc3
• Title of publication: Bromotricarbonyl(3,3'-dimethyl-2,2'-biquinoline-<i>N</i>,<i>N</i>')rhenium(I)
• Authors of publication: Juan Guerrero; Sergio A. Moya; María Teresa Garland; Ricardo F. Baggio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 1592 - 1594
• a: 12.235 ± 0.003 Å
• b: 9.645 ± 0.002 Å
• c: 18.596 ± 0.006 Å
• α: 90°
• β: 105.97 ± 0.02°
• γ: 90°
• Cell volume: 2109.8 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0585
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No