Information card for entry 2019157

Structure parameters

• Chemical name: Bis(azido-κ<i>N</i>)[1,1,',1''-(phenylboranetriyl)tris(3-<i>tert</i>-butyl-1<i>H</i>-imidazol-2-ylidene)]cobalt(III)
• Formula: C27 H38 B Co N12
• Calculated formula: C27 H38 B Co N12
• SMILES: [Co]12(N=N#N)(N=N#N)=C3N([B](N4C=1N(C=C4)C(C)(C)C)(N1C=2N(C=C1)C(C)(C)C)c1ccccc1)C=CN3C(C)(C)C
• 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: 10.1553 ± 0.0014 Å
• b: 12.3593 ± 0.0018 Å
• c: 12.8113 ± 0.0017 Å
• α: 82.35 ± 0.009°
• β: 69.88 ± 0.01°
• γ: 85.26 ± 0.01°
• Cell volume: 1495.2 ± 0.4 ų
• Cell temperature: 228 ± 2 K
• Ambient diffraction temperature: 228 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1562
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes