Information card for entry 7230737

Structure parameters

• Formula: C18 H34 F2 N12 Ni O5
• Calculated formula: C18 H34 F2 N12 Ni O5
• 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: 8.9 ± 0.0018 Å
• b: 21.14 ± 0.004 Å
• c: 15.03 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2827.8 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No