Information card for entry 7031095

Structure parameters

• Formula: C36 H27 Cl N3 O4 Re
• Calculated formula: C36 H27 Cl N3 O4 Re
• SMILES: [Re]1(Cl)([n]2c(cccc2)c2[n]1c1c(n2Cc2c3c4c(cc2)ccc2c4c(cc3)ccc2)cccc1)(C#[O])(C#[O])C#[O].O1CCCC1
• Title of publication: Complexes of substituted derivatives of 2-(2-pyridyl)benzimidazole with Re(I), Ru(II) and Pt(II): structures, redox and luminescence properties.
• Authors of publication: Shavaleev, Nail M.; Bell, Zöe R; Easun, Timothy L.; Rutkaite, Ramune; Swanson, Linda; Ward, Michael D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 21
• Pages of publication: 3678 - 3688
• a: 12.055 ± 0.002 Å
• b: 12.376 ± 0.003 Å
• c: 13.047 ± 0.002 Å
• α: 108.288 ± 0.014°
• β: 100.199 ± 0.015°
• γ: 99.195 ± 0.013°
• Cell volume: 1770 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0375
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No