Information card for entry 7041253

Structure parameters

• Formula: C27 H31 Cl N2 Ru Te
• Calculated formula: C27 H31 Cl N2 Ru Te
• SMILES: [Ru]1234(Cl)(C#[Te])(=C5N(c6c(C)cc(C)cc6C)CCN5c5c(cc(cc5C)C)C)[cH]5[cH]1[cH]2[cH]3[cH]45
• Title of publication: A ruthenium tellurocarbonyl (CTe) complex with a cyclopentadienyl ligand: systematic studies of a series of chalcogenocarbonyl complexes [CpRuCl(CE)(H2IMes)] (E = O, S, Se, Te).
• Authors of publication: Suzuki, Ayumi; Arai, Takahiro; Ikenaga, Kota; Mutoh, Yuichiro; Tsuchida, Noriko; Saito, Shinichi; Ishii, Youichi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 46
• Journal issue: 1
• Pages of publication: 44 - 48
• a: 13.7432 ± 0.0014 Å
• b: 14.4994 ± 0.0015 Å
• c: 13.7674 ± 0.0014 Å
• α: 90°
• β: 109.486 ± 0.001°
• γ: 90°
• Cell volume: 2586.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0181
• Residual factor for significantly intense reflections: 0.0166
• Weighted residual factors for significantly intense reflections: 0.0414
• Weighted residual factors for all reflections included in the refinement: 0.0423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No