Information card for entry 7019274

Structure parameters

• Formula: C14 H32 Cl Co N7 O4
• Calculated formula: C14 H32 Cl Co N7 O4
• SMILES: [Co]123([N]4(CCC[N]1(CC[N]2(CCC[N]3(CC4)C)C)C)C)N=N#N.Cl(=O)(=O)(=O)[O-]
• Title of publication: Cycloaddition reactivity studies of first-row transition metal-azide complexes and alkynes: an inorganic click reaction for metalloenzyme inhibitor synthesis.
• Authors of publication: Evangelio, Emi; Rath, Nigam P.; Mirica, Liviu M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 26
• Pages of publication: 8010 - 8021
• a: 13.9561 ± 0.0009 Å
• b: 15.2417 ± 0.001 Å
• c: 9.2732 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1972.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0244
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.0506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No