Information card for entry 7042232

Structure parameters

• Formula: C16 H32 B N2 O P Ru
• Calculated formula: C16 H32 B N2 O P Ru
• SMILES: CN1c2cccc[n]2[BH]2[H][RuH]1([H]2)(C#[O])[P](C(C)C)(C(C)C)C(C)C
• Title of publication: Octahedral manganese(i) and ruthenium(ii) complexes containing 2-(methylamido)pyridine-borane as a tripod κ(3)N,H,H-ligand.
• Authors of publication: Brugos, Javier; Cabeza, Javier A.; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Van der Maelen, Juan F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 12
• Pages of publication: 4009 - 4017
• a: 7.4628 ± 0.0002 Å
• b: 15.8516 ± 0.0003 Å
• c: 16.3342 ± 0.0003 Å
• α: 90°
• β: 92.34 ± 0.002°
• γ: 90°
• Cell volume: 1930.68 ± 0.07 ų
• Cell temperature: 151 ± 2 K
• Ambient diffraction temperature: 151 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0242
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No