Information card for entry 4347011

Structure parameters

• Formula: C63 H84 B2 F8 N6 O3 Zn
• Calculated formula: C63 H84 B2 F8 N6 O3 Zn
• 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: 8.9929 ± 0.0006 Å
• b: 17.5868 ± 0.0012 Å
• c: 20.9347 ± 0.0015 Å
• α: 77.0947 ± 0.0019°
• β: 76.355 ± 0.002°
• γ: 89.232 ± 0.002°
• Cell volume: 3133.5 ± 0.4 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1071
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1523
• Weighted residual factors for all reflections included in the refinement: 0.1702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No