Information card for entry 7022287

Structure parameters

• Formula: C51 H97 B2 N5 P2 Ru
• Calculated formula: C51 H97 B2 N5 P2 Ru
• SMILES: [N](#C[RuH](C#N)(C#[N]BN(C(C)C)C(C)C)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)BN(C(C)C)C(C)C
• Title of publication: Synthesis of a ruthenium bis(diisopropylamino(isocyano)borane) complex from the activation of an amino(cyano)borane.
• Authors of publication: Joost, Maximilian; Alcaraz, Gilles; Vendier, Laure; Poblador-Bahamonde, Amalia; Clot, Eric; Sabo-Etienne, Sylviane
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 3
• Pages of publication: 776 - 781
• a: 12.259 ± 0.0004 Å
• b: 21.044 ± 0.0008 Å
• c: 26.079 ± 0.0011 Å
• α: 105.526 ± 0.002°
• β: 93.192 ± 0.002°
• γ: 104.324 ± 0.001°
• Cell volume: 6227 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0892
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1476
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No