Information card for entry 7013939

Structure parameters

• Common name: Copper(i) Bromide 2:1 Complex with 1,2,3,6,7,8-Hexahydro- cinnolino(5,4,3-cde)cinnoline, dichloromethane solvate
• Chemical name: Copper(I) Bromide 2:1 Complex with 1,2,3,6,7,8-Hexahydro-cinnolino[5,4,3-cde]cinnoline, dichloromethane solvate
• Formula: C13 H14 Br2 Cl2 Cu2 N4
• Calculated formula: C14.5 H12 Br2 Cu2 N4
• 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: 17.7304 ± 0.0019 Å
• b: 17.7304 ± 0.0019 Å
• c: 12.6008 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3961.3 ± 0.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 109
• Hermann-Mauguin space group symbol: I 41 m d
• Hall space group symbol: I 4bw -2
• Residual factor for all reflections: 0.0898
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No