Information card for entry 7042231

Structure parameters

• Formula: C9 H10 B Mn N2 O3
• Calculated formula: C9 H10 B Mn N2 O3
• SMILES: CN1c2cccc[n]2[BH]2[H][Mn]1([H]2)(C#[O])(C#[O])C#[O]
• 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: 13.2584 ± 0.0003 Å
• b: 12.7142 ± 0.0003 Å
• c: 13.3824 ± 0.0003 Å
• α: 90°
• β: 98.196 ± 0.002°
• γ: 90°
• Cell volume: 2232.83 ± 0.09 ų
• Cell temperature: 145 ± 2 K
• Ambient diffraction temperature: 145 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No