Information card for entry 7019276

Structure parameters

• Formula: C40 H76 Cl2 N14 Ni2 O16
• Calculated formula: C40 H76 Cl2 N14 Ni2 O16
• 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: 12.2771 ± 0.0007 Å
• b: 15.7842 ± 0.0009 Å
• c: 14.1558 ± 0.0008 Å
• α: 90°
• β: 104.624 ± 0.003°
• γ: 90°
• Cell volume: 2654.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No