Information card for entry 7031097

Structure parameters

• Formula: C23 H17 Cl3 N3 O3 Re
• Calculated formula: C23 H17 Cl3 N3 O3 Re
• SMILES: [Re]1(Cl)([n]2c(cccc2)c2[n]1c1c(n2Cc2ccccc2)cccc1)(C#[O])(C#[O])C#[O].ClCCl
• 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: 8.908 ± 0.003 Å
• b: 12.523 ± 0.004 Å
• c: 20.764 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2316.3 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No