Information card for entry 7707455

Structure parameters

• Formula: C63 H81 Cl3 Cu3 N9
• Calculated formula: C63 H81 Cl3 Cu3 N9
• Title of publication: Convenient synthesis of copper(I) halide quasi-one-dimensional coordination polymers: their structures and solid-state luminescent properties.
• Authors of publication: Masahara, Shingo; Yokoyama, Hiromichi; Suzaki, Yuji; Ide, Tomohito
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 25
• Pages of publication: 8889 - 8898
• a: 14.7196 ± 0.0005 Å
• b: 14.7196 ± 0.0005 Å
• c: 8.367 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1569.97 ± 0.11 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• Space group number: 160
• Hermann-Mauguin space group symbol: R 3 m :H
• Hall space group symbol: R 3 -2"
• Residual factor for all reflections: 0.017
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections included in the refinement: 0.0456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No