Information card for entry 7002873

Structure parameters

• Formula: C58 H46 B2 N6 Ru
• Calculated formula: C58 H46 B2 N6 Ru
• SMILES: c1cccc2c3cccc[n]3[Ru]3([n]12)(C#[N][B](c1ccccc1)(c1ccccc1)c1ccccc1)([n]1ccccc1c1cccc[n]31)C#[N][B](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and characterization of neutral iron(ii) and ruthenium(ii) complexes with the isocyanotriphenylborate ligand
• Authors of publication: Zhou, Yan; Xiao, Hong-Ping; Kang, Ling-Chen; Zuo, Jing-Lin; Li, Cheng-Hui; You, Xiao-Zeng
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 46
• Pages of publication: 10256 - 10262
• a: 16.138 ± 0.014 Å
• b: 19.056 ± 0.016 Å
• c: 17.05 ± 0.01 Å
• α: 90°
• β: 108.02 ± 0.03°
• γ: 90°
• Cell volume: 4986 ± 7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• 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: 0.1066
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 0.859
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No