Information card for entry 2203875

Structure parameters

• Chemical name: Diacetato(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-1,8- diene)cobalt(III) triiodide
• Formula: C20 H38 Co I3 N4 O4
• Calculated formula: C20 H38 Co I3 N4 O4
• SMILES: O([Co]123([N]4=C(C)CC([NH]2CC[N]1=C(C)CC([NH]3CC4)(C)C)(C)C)OC(=O)C)C(=O)C.I[I-]I
• Title of publication: Diacetato(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-1,8-diene)cobalt(III) triiodide
• Authors of publication: Shu-Sheng Zhang; Shu-Yan Niu; Gui-Fen Jie; Xue-Mei Li; Kui Jiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: m966 - m967
• a: 14.807 ± 0.003 Å
• b: 9.7061 ± 0.0018 Å
• c: 20.218 ± 0.004 Å
• α: 90°
• β: 98.589 ± 0.003°
• γ: 90°
• Cell volume: 2873.1 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes