Information card for entry 7133098

Structure parameters

• Formula: C10 H20 Cu2 N5
• Calculated formula: C10 H20 Cu2 N5
• Title of publication: Giant anisotropic thermal expansion of copper–cyanido flat layers with flexible copper nodes
• Authors of publication: Iwai, Yuudai; Nakaya, Manabu; Tsuji, Yuta; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 14.8279 ± 0.0004 Å
• b: 8.1752 ± 0.0002 Å
• c: 12.366 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1499.02 ± 0.07 ų
• Cell temperature: 250 K
• Ambient diffraction temperature: 250 K
• Number of distinct elements: 4
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No