Information card for entry 4319711

Structure parameters

• Formula: C30 H24 Br2 N6 O9 Re2
• Calculated formula: C30 H24 Br2 N6 O9 Re2
• SMILES: [Re]1(Br)([n]2c(nc3[n]([Re](Br)(C#[O])([n]4c3cccc4)(C#[O])C#[O])c2c2ncccc2)c2[n]1cccc2)(C#[O])(C#[O])C#[O].O=C(C)C.O=C(C)C
• Title of publication: Rhenium(I) Carbonyl Complexes of 2,4,6-Tris(2-pyridyl)-1,3,5-triazine (TPT). Rhenium(I)-Promoted Methoxylation of the Triazine Ring Carbon Atom in Dinuclear Rhenium Complexes
• Authors of publication: Xiaoyuan Chen; Frank J. Femia; John W. Babich; Jon A. Zubieta
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2769 - 2777
• a: 11.586 ± 0.005 Å
• b: 12.144 ± 0.005 Å
• c: 13.364 ± 0.006 Å
• α: 80.599 ± 0.007°
• β: 76.271 ± 0.008°
• γ: 67.158 ± 0.008°
• Cell volume: 1678 ± 1.3 ų
• Cell temperature: 92 ± 2 K
• Ambient diffraction temperature: 92 ± 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: 0.0882
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1489
• Weighted residual factors for all reflections included in the refinement: 0.1704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No