Information card for entry 7013943

Structure parameters

• Common name: Copper(i) Iodide 3:1 Complex with 1,2,3,6,7,8-Hexahydro- cinnolino(5,4,3-cde)cinnoline, acetonitrile solvate
• Chemical name: Copper(I) Iodide 3:1 Complex with 1,2,3,6,7,8-Hexahydro-cinnolino[5,4,3-cde]cinnoline, acetonitrile solvate
• Formula: C80 H84 Cu18 I18 N28
• Calculated formula: C77 H72 Cu18 I18 N28
• Title of publication: Fused pyridazines: rigid multidentates for designing and fine-tuning the structure of hybrid organic/inorganic frameworks.
• Authors of publication: Solntsev, Pavlo V.; Sieler, Joachim; Krautscheid, Harald; Domasevitch, Konstantin V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 8
• Pages of publication: 1153 - 1158
• a: 20.463 ± 0.002 Å
• b: 20.463 ± 0.002 Å
• c: 17.989 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6523.4 ± 1.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No