Information card for entry 2019156

Structure parameters

• Chemical name: (Azido-κ<i>N</i>)[1,1,',1''-(phenylboranetriyl)tris(3-<i>tert</i>-butyl-1<i>H</i>-imidazol-2-ylidene)]cobalt(II)
• Formula: C27 H38 B Co N9
• Calculated formula: C27 H38 B Co N9
• Title of publication: Cobalt azide complexes with a tris(carbene)borate ligand scaffold
• Authors of publication: Scepaniak, Jeremiah J.; Margarit, Charles G.; Bontchev, Ranko P.; Smith, Jeremy M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: 968 - 971
• a: 9.891 ± 0.0003 Å
• b: 17.7415 ± 0.0005 Å
• c: 16.166 ± 0.0005 Å
• α: 90°
• β: 92.016 ± 0.002°
• γ: 90°
• Cell volume: 2835.07 ± 0.15 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• 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: 0.0891
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes