Information card for entry 7040780

Structure parameters

• Formula: C201 H275 Cl6 Cu4 N53 O24
• Calculated formula: C201 H275 Cl6 Cu4 N53 O24
• Title of publication: Structural snapshots in the copper(ii) induced azide-nitrile cycloaddition: effects of peripheral ligand substituents on the formation of unsupported μ1,1-azido vs.μ1,4-tetrazolato bridged complexes.
• Authors of publication: Sommer, Michael G.; Rechkemmer, Yvonne; Suntrup, Lisa; Hohloch, Stephan; van der Meer, Margarethe; van Slageren, Joris; Sarkar, Biprajit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 44
• Pages of publication: 17770 - 17781
• a: 15.773 ± 0.0007 Å
• b: 16.4587 ± 0.0007 Å
• c: 26.4401 ± 0.0012 Å
• α: 88.921 ± 0.002°
• β: 89.865 ± 0.002°
• γ: 71.279 ± 0.002°
• Cell volume: 6499.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.2178
• Weighted residual factors for all reflections included in the refinement: 0.2336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No