Information card for entry 7117601

Structure parameters

• Formula: C21 H31 B Mn N3 O2
• Calculated formula: C21 H31 B Mn N3 O2
• SMILES: [Mn]1234(C#[O])(C#[O])([cH]5[cH]4[cH]3[cH]2[cH]15)C1[B]([N]=1C(C)(C)C)(C(C)(C)C)=C1N(C=CN1C)C
• Title of publication: Activation of boryl-, borylene and metalloborylene complexes by isonitriles.
• Authors of publication: Braunschweig, Holger; Ewing, William C.; Ferkinghoff, Katharina; Hermann, Alexander; Kramer, Thomas; Shang, Rong; Siedler, Eva; Werner, Christine
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 65
• Pages of publication: 13032 - 13035
• a: 9.5331 ± 0.0004 Å
• b: 12.839 ± 0.0006 Å
• c: 18.276 ± 0.0008 Å
• α: 90°
• β: 97.456 ± 0.001°
• γ: 90°
• Cell volume: 2217.99 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0316
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No