Information card for entry 7004035

Structure parameters

• Formula: C38 H27 Br N6 O9 Re2
• Calculated formula: C38 H27 Br N6 O9 Re2
• SMILES: [Re]12([n]3c(cccc3)C(O)(c3[n]1cccc3)c1[n]2cccc1)(C#[O])(C#[O])C#[O].[Re]12(OC(c3[n]1cccc3)(c1[n]2cccc1)c1ncccc1)(C#[O])(C#[O])C#[O].[Br-].O
• Title of publication: Rhenium(i) compounds bound by tripodal ligands of pyridine and N-methylimidazole
• Authors of publication: Herrick, Richard S.; Ziegler, Christopher J.; Jameson, Donald L.; Aquina, Christopher; Çetin, Anıl; Franklin, Brenton R.; Condon, Laura R.; Barone, Natalie; Lopez, Joseph
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 27
• Pages of publication: 3605 - 3609
• a: 9.455 ± 0.002 Å
• b: 13.997 ± 0.003 Å
• c: 14.969 ± 0.003 Å
• α: 82.188 ± 0.004°
• β: 80.868 ± 0.004°
• γ: 70.45 ± 0.004°
• Cell volume: 1835.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0735
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1509
• Weighted residual factors for all reflections included in the refinement: 0.1551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No