Information card for entry 7230735

Structure parameters

• Formula: C18 H28 Cd F2 N12 O2
• Calculated formula: C18 H28 Cd F2 N12 O2
• Title of publication: Interesting fluorine anion water clusters [F−·(H2O)n] in metal complex crystals
• Authors of publication: Jian, Fang Fang; Liu, E.; Ma, Jun Ying
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 27
• Pages of publication: 3849
• a: 9.5545 ± 0.0019 Å
• b: 16.926 ± 0.003 Å
• c: 7.8873 ± 0.0016 Å
• α: 90°
• β: 90.72 ± 0.03°
• γ: 90°
• Cell volume: 1275.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No