Information card for entry 7121990

Structure parameters

• Formula: C56 H62 Br2 Co3 N12 O8
• Calculated formula: C56 H61.9992 Br2 Co3 N12 O7.9998
• 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: 11.0654 ± 0.0011 Å
• b: 11.0654 ± 0.0011 Å
• c: 87.132 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9239.4 ± 1.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• 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: 0.106
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.224
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No