Information card for entry 7002871

Structure parameters

• Formula: C62 H58 B2 N6 Ru
• Calculated formula: C62 H58 B2 N6 Ru
• SMILES: [n]1(ccc(cc1)C)[Ru]([n]1ccc(cc1)C)([n]1ccc(cc1)C)([n]1ccc(cc1)C)(C#[N][B](c1ccccc1)(c1ccccc1)c1ccccc1)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: 16.589 ± 0.003 Å
• b: 17.758 ± 0.003 Å
• c: 18.439 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5431.9 ± 1.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.154
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 0.791
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No