Information card for entry 4346161

Structure parameters

• Common name: holtd37
• Formula: C48 H63 Co N3
• Calculated formula: C48 H63 Co N3
• SMILES: [Co]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)c1c(cccc1C(C)C)C(C)C)[N]#C(c1ccccc1)c1ccccc1
• Title of publication: Cobalt(II) Complex of a Diazoalkane Radical Anion.
• Authors of publication: Bonyhady, Simon J.; Goldberg, Jonathan M.; Wedgwood, Nicole; Dugan, Thomas R.; Eklund, Andrew G.; Brennessel, William W.; Holland, Patrick L.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 5148 - 5150
• a: 12.623 ± 0.002 Å
• b: 9.6011 ± 0.0018 Å
• c: 17.401 ± 0.003 Å
• α: 90°
• β: 97.137 ± 0.004°
• γ: 90°
• Cell volume: 2092.6 ± 0.6 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1075
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No