Information card for entry 4320378

Structure parameters

• Common name: m-H2O-{(ZnII(OEB-10,15,19-(CN)3)}2oacetone
• Formula: C79 H90 N14 O4 Zn2
• Calculated formula: C79 H90 N14 O4 Zn2
• Title of publication: Ring-Opening and Meso Substitution from the Reaction of Cyanide Ion with Zinc Verdohemes
• Authors of publication: James A. Johnson; Marilyn M. Olmstead; Alan M. Stolzenberg; Alan L. Balch
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 5585 - 5595
• a: 23.3553 ± 0.0011 Å
• b: 15.175 ± 0.0007 Å
• c: 20.8893 ± 0.001 Å
• α: 90°
• β: 97.479 ± 0.001°
• γ: 90°
• Cell volume: 7340.5 ± 0.6 ų
• Cell temperature: 91 ± 2 K
• Ambient diffraction temperature: 91 ± 2 K
• Number of distinct elements: 5
• 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: 0.0827
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No