Information card for entry 7040771

Structure parameters

• Formula: C32 H26 Cu2 N6
• Calculated formula: C32 H26 Cu2 N6
• Title of publication: Two copper(i) cyanide coordination polymers modified by semi-rigid bis(benzimidazole) ligands: syntheses, crystal structures, and electrochemical and photocatalytic properties.
• Authors of publication: Cui, Jing-Wang; An, Wei-Jia; Van Hecke, Kristof; Cui, Guang-Hua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 43
• Pages of publication: 17474 - 17484
• a: 8.5105 ± 0.0006 Å
• b: 22.2428 ± 0.0016 Å
• c: 14.5009 ± 0.0011 Å
• α: 90°
• β: 94.016 ± 0.001°
• γ: 90°
• Cell volume: 2738.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1011
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No