Information card for entry 2105951

Structure parameters

• Common name: 6_squeeze
• Formula: C64.09 H68.18 Cd3 Cl8.18 Fe2 I6 N6 O12
• Calculated formula: C64.0876 H68.1752 Cd3 Cl8.1752 Fe2 I6 N6 O12
• Title of publication: 3-(4-Pyridyl)-acetylacetone ‒ a fully featured substituted pyridine and a flexible linker for complex materials
• Authors of publication: Merkens, Carina; Truong, Khai-Nghi; Englert, Ulli
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 4
• Pages of publication: 705 - 713
• a: 32.186 ± 0.003 Å
• b: 13.7863 ± 0.0015 Å
• c: 27.721 ± 0.002 Å
• α: 90°
• β: 125.118 ± 0.008°
• γ: 90°
• Cell volume: 10061.4 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1018
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.1626
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes