Information card for entry 7002870

Structure parameters

• Formula: C60 H53 B2 N7 Ru
• Calculated formula: C60 H53 B2 N7 Ru
• SMILES: [B](c1ccccc1)(c1ccccc1)(c1ccccc1)[N]#C[Ru](C#[N][B](c1ccccc1)(c1ccccc1)c1ccccc1)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1.CC#N
• 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: 18.506 ± 0.01 Å
• b: 16.701 ± 0.009 Å
• c: 17.705 ± 0.01 Å
• α: 90°
• β: 107.943 ± 0.011°
• γ: 90°
• Cell volume: 5206 ± 5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No