Information card for entry 7024905

Structure parameters

• Formula: C15 H20 Br9 Cu7 N2
• Calculated formula: C15 H20 Br9 Cu7 N2
• Title of publication: In situ alkylation of N-heterocycles in organic templated cuprous halides.
• Authors of publication: Hou, Juan-Juan; Li, Shi-Li; Li, Cui-Rui; Zhang, Xian-Ming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 10
• Pages of publication: 2701 - 2707
• a: 12.873 ± 0.003 Å
• b: 12.316 ± 0.003 Å
• c: 19.006 ± 0.004 Å
• α: 90°
• β: 93.777 ± 0.004°
• γ: 90°
• Cell volume: 3006.7 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1009
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1682
• 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: Yes
• Has Fobs: No