Information card for entry 7715513

Structure parameters

• Formula: C170 H256 B2 Co2 Fe2 N28 O22 S2
• Calculated formula: C170 H256 B2 Co2 Fe2 N28 O22 S2
• Title of publication: Reversible structural change of [Co₂Fe₂] complexes between diamagnetic hydrogen-bonded 1D chains and paramagnetic complexes within a layered structure of amphiphilic anions.
• Authors of publication: Mihara, Nozomi; Iitsuka, Soyoka; Shiga, Takuya; Nihei, Masayuki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 7190 - 7196
• a: 12.8879 ± 0.0008 Å
• b: 17.7778 ± 0.0012 Å
• c: 22.5479 ± 0.0015 Å
• α: 75.892 ± 0.001°
• β: 79.585 ± 0.001°
• γ: 71.793 ± 0.001°
• Cell volume: 4728.7 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1249
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.2057
• Weighted residual factors for all reflections included in the refinement: 0.2508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No