Information card for entry 4319714

Structure parameters

• Formula: C26 H20 Br2 N6 O8 Re2
• Calculated formula: C26 H19 Br2 N6 O8 Re2
• SMILES: [Re]1(Br)(N2C(OC)(N3[Re](Br)([n]4c(C3=NC=2c2[n]1cccc2)cccc4)(C#[O])(C#[O])C#[O])c1ncccc1)(C#[O])(C#[O])C#[O].OC
• 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: 27.513 ± 0.003 Å
• b: 16.74 ± 0.0016 Å
• c: 14.8373 ± 0.0015 Å
• α: 90°
• β: 116.925 ± 0.002°
• γ: 90°
• Cell volume: 6092.8 ± 1.1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1206
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No