Information card for entry 7236931

Structure parameters

• Formula: C6 H12 Cu3 I3 N3 O P
• Calculated formula: C6 H12 Cu3 I3 N3 O P
• Title of publication: A novel 2D coordination network built from hexacopper(i)-iodide clusters and cagelike aminophosphine blocks for reversible “turn-on” sensing of aniline
• Authors of publication: Jaros, Sabina W.; Sokolnicki, Jerzy; Wołoszyn, Aleksandra; Haukka, Matti; Kirillov, Alexander M.; Smoleński, Piotr
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 7
• Pages of publication: 1670
• a: 16.96 ± 0.0009 Å
• b: 9.8296 ± 0.0005 Å
• c: 9.9981 ± 0.0009 Å
• α: 90°
• β: 101.847 ± 0.007°
• γ: 90°
• Cell volume: 1631.28 ± 0.19 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.213
• Weighted residual factors for all reflections included in the refinement: 0.2189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No