Information card for entry 7121991

Structure parameters

• Formula: C56 H62 Co3 N14 O14
• Calculated formula: C56 H59.9994 Co3 N14 O13.9994
• Title of publication: Field-induced single-molecule magnet behavior in ideal trigonal antiprismatic cobalt(ii) complexes: precise geometrical control by a hydrogen-bonded rigid metalloligand.
• Authors of publication: Mitsuhashi, Ryoji; Pedersen, Kasper S.; Ueda, Takaaki; Suzuki, Takayoshi; Bendix, Jesper; Mikuriya, Masahiro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 64
• Pages of publication: 8869 - 8872
• a: 11.169 ± 0.003 Å
• b: 11.169 ± 0.003 Å
• c: 87.48 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9451 ± 4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No