Information card for entry 7121518

Structure parameters

• Formula: C24 H34 B2 Fe2 N18 Ni O7
• Calculated formula: C24 H20 B2 Fe2 N18 Ni O7
• Title of publication: A [Fe^III(Tp)(CN)₃]^- scorpionate-based complex as a building block for designing ion storage hosts (Tp: hydrotrispyrazolylborate).
• Authors of publication: Jiménez, Juan-Ramón; Sugahara, Akira; Okubo, Masashi; Yamada, Atsuo; Chamoreau, Lise-Marie; Lisnard, Laurent; Lescouëzec, Rodrigue
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 41
• Pages of publication: 5189 - 5192
• a: 28.851 ± 0.007 Å
• b: 9.668 ± 0.002 Å
• c: 13.718 ± 0.003 Å
• α: 90°
• β: 101.205 ± 0.011°
• γ: 90°
• Cell volume: 3753.4 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.1421
• Residual factor for significantly intense reflections: 0.08
• Weighted residual factors for significantly intense reflections: 0.1907
• Weighted residual factors for all reflections included in the refinement: 0.2482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No