Information card for entry 7033546

Structure parameters

• Formula: C35 H32 B2 Co F8 N6 O3
• Calculated formula: C35 H32 B2 Co F8 N6 O3
• SMILES: [B](F)(F)(F)[F-].c1cccc2c3cc(cc4[n]3[Co]35([n]12)([n]1c4cccc1)[n]1ccccc1c1cc(cc([n]31)c1[n]5cccc1)OC)OC.O=C(C)C.[B](F)(F)(F)[F-]
• Title of publication: Spin-crossover behaviors in solvated cobalt(ii) compounds.
• Authors of publication: Hayami, Shinya; Nakaya, Manabu; Ohmagari, Hitomi; Alao, Amolegbe Saliu; Nakamura, Masaaki; Ohtani, Ryo; Yamaguchi, Ryotaro; Kuroda-Sowa, Takayoshi; Clegg, Jack K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 20
• Pages of publication: 9345 - 9348
• a: 21.5593 ± 0.0008 Å
• b: 14.9117 ± 0.0004 Å
• c: 12.1365 ± 0.0003 Å
• α: 90°
• β: 117.425 ± 0.001°
• γ: 90°
• Cell volume: 3463.2 ± 0.18 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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 significantly intense reflections: 0.0264
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No