Information card for entry 7003210

Structure parameters

• Formula: C29 H28 Br1.5 Cu2.5 N5 O
• Calculated formula: C29 H28 Br1.5 Cu2.5 N5 O
• Title of publication: Ferroelectric metal‒organic coordination polymer with a high dielectric constant
• Authors of publication: Fu, Da-Wei; Ye, Heng-Yun; Ye, Qiong; Pan, Ke-Ji; Xiong, Ren-Gen
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 7
• Pages of publication: 874 - 877
• a: 30.762 ± 0.01 Å
• b: 8.711 ± 0.003 Å
• c: 10.642 ± 0.003 Å
• α: 90°
• β: 104.471 ± 0.006°
• γ: 90°
• Cell volume: 2761.2 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0989
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.1955
• Weighted residual factors for all reflections included in the refinement: 0.2073
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No