Information card for entry 7019271

Structure parameters

• Formula: C34 H32 Cl4 Co2 N10 O4
• Calculated formula: C34 H32 Cl4 Co2 N10 O4
• SMILES: c12c(cccc2)C=[N]2[Co]34(N=N#N)(O1)[O](c1ccccc1C=[N]3CC2)[Co]123([N](=Cc5c(cccc5)O2)CC[N]1=Cc1ccccc1[O]43)N=N#N.C(Cl)Cl.C(Cl)Cl
• 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: 9.1697 ± 0.0007 Å
• b: 14.412 ± 0.001 Å
• c: 13.6075 ± 0.0011 Å
• α: 90°
• β: 91.467 ± 0.003°
• γ: 90°
• Cell volume: 1797.7 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No