Information card for entry 7717118

Structure parameters

• Formula: C46 H14 Cl4 Cu2 F15 N6
• Calculated formula: C46 H14 Cl4 Cu2 F15 N6
• Title of publication: Copper Complexation of Rosarin: Formation of a Bis-copper Rosarin and a Mono-copper Linear Tridipyrrin
• Authors of publication: Lv, Xiaojuan; Qian, Long; Tkachenko, Nikolay V.; Zhang, Tao; Qiu, Fengxian; Aratani, Naoki; Ikeue, Takahisa; Pan, Jianming; Xue, Songlin
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 8.8187 ± 0.0004 Å
• b: 33.2549 ± 0.0014 Å
• c: 16.0729 ± 0.0006 Å
• α: 90°
• β: 95.606 ± 0.002°
• γ: 90°
• Cell volume: 4691.1 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193.15 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: 0.1025
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1504
• Weighted residual factors for all reflections included in the refinement: 0.1687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No