Information card for entry 7713468

Structure parameters

• Formula: C80.33 H76.67 Cl7.67 Co2 N15
• Calculated formula: C80.3335 H76.6668 Cl7.6667 Co2 N15
• Title of publication: Magnetic behavior and ground spin states for coordination {L.[M(II)(Hal)2]3}(3-) assemblies (Hal = Cl or I) of radical trianion hexacyanohexaazatriphenylenes (L) with three coordinated high-spin Fe(II) (S = 2) or Co(II) (S = 3/2) centers
• Authors of publication: Mikhailenko, Maxim V.; Ivanov, Vladislav V.; Shestakov, Alexander F.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 24.4385 ± 0.0011 Å
• b: 24.4385 ± 0.0011 Å
• c: 11.3928 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5892.6 ± 0.5 ų
• Cell temperature: 105 ± 1 K
• Ambient diffraction temperature: 105 ± 1 K
• Number of distinct elements: 5
• Space group number: 143
• Hermann-Mauguin space group symbol: P 3
• Hall space group symbol: P 3
• Residual factor for all reflections: 0.1507
• Residual factor for significantly intense reflections: 0.0888
• Weighted residual factors for significantly intense reflections: 0.2155
• Weighted residual factors for all reflections included in the refinement: 0.2616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No