Information card for entry 4347010

Structure parameters

• Formula: C64 H92 B2 Co0.8 F8 N6 O3.25 Zn0.2
• Calculated formula: C64 H92 B2 Co0.8 F8 N6 O3.25 Zn0.2
• Title of publication: Metal Dilution Effects on the Reverse Spin Transition in Mixed Crystals of Type [Co(1-x)Zn(x)(C16-terpy)2](BF4)2 (x = 0.1-0.7).
• Authors of publication: Ohtani, Ryo; Egawa, Saki; Nakaya, Manabu; Ohmagari, Hitomi; Nakamura, Masaaki; Lindoy, Leonard F.; Hayami, Shinya
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 7
• Pages of publication: 3332 - 3337
• a: 8.8166 ± 0.0005 Å
• b: 20.0524 ± 0.0009 Å
• c: 20.1719 ± 0.0009 Å
• α: 111.723 ± 0.0013°
• β: 94.2359 ± 0.0014°
• γ: 93.0281 ± 0.0014°
• Cell volume: 3291.6 ± 0.3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1984
• Weighted residual factors for all reflections included in the refinement: 0.2151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No