Information card for entry 7003203

Structure parameters

• Formula: C40 H39 B F4 N2 P2 Ru
• Calculated formula: C40 H39 B F4 N2 P2 Ru
• SMILES: [Ru]12345([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(=C=C(C#N)C#N)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.[B](F)(F)(F)[F-]
• Title of publication: The preparation and characterisation of ruthenium cyanovinylidene complexes
• Authors of publication: Brown, Neil J.; Eckert, Prisca K.; Fox, Mark A.; Yufit, Dmitri S.; Howard, Judith A. K.; Low, Paul J.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 4
• Pages of publication: 433 - 436
• a: 10.506 ± 0.0003 Å
• b: 37.778 ± 0.001 Å
• c: 9.5654 ± 0.0003 Å
• α: 90°
• β: 106.38 ± 0.01°
• γ: 90°
• Cell volume: 3642.4 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.0503
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No