Information card for entry 4318361

Structure parameters

• Formula: C67 H86 Cl2 Co3 N12 O18
• Calculated formula: C67 H86 Cl2 Co3 N12 O18
• Title of publication: Polynuclear Complexes of the Pendent-Arm Ligand 1,4,7-Tris(acetophenoneoxime)-1,4,7-triazacyclononane
• Authors of publication: Vitaly Pavlishchuk; Frank Birkelbach; Thomas Weyhermüller; Karl Wieghardt; Phalguni Chaudhuri
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4405 - 4416
• a: 23.442 ± 0.002 Å
• b: 17.302 ± 0.002 Å
• c: 17.263 ± 0.002 Å
• α: 90°
• β: 104.57 ± 0.01°
• γ: 90°
• Cell volume: 6776.6 ± 1.3 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: 0.1241
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for all reflections: 0.1449
• Weighted residual factors for significantly intense reflections: 0.1192
• Goodness-of-fit parameter for all reflections: 1.017
• Goodness-of-fit parameter for significantly intense reflections: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No