Information card for entry 7013946

Structure parameters

• Common name: Copper(i) Bromide 4:1 Complex with 1,2,3,6,7,8-Hexahydro- cinnolino(5,4,3-cde)cinnoline, acetonitrile solvate
• Chemical name: Copper(I) Bromide 4:1 Complex with 1,2,3,6,7,8-Hexahydro-cinnolino[5,4,3-cde]cinnoline, acetonitrile solvate
• Formula: C16 H18 Cu4 I4 N6
• Calculated formula: C16 H18 Cu4 I4 N6
• 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: 7.6797 ± 0.0009 Å
• b: 7.7125 ± 0.0009 Å
• c: 11.3151 ± 0.001 Å
• α: 104.415 ± 0.002°
• β: 104.17 ± 0.002°
• γ: 96.141 ± 0.002°
• Cell volume: 619.2 ± 0.12 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No