Information card for entry 7224150

Structure parameters

• Formula: C69 H79 B4 Co2 F8 Fe2 N34 O12.5
• Calculated formula: C69 H60 B4 Co2 F8 Fe2 N34 O12.5
• Title of publication: One synthesis: two redox states. Temperature-oriented crystallization of a charge transfer {Fe2Co2} square complex in a {FeIILSCoIIILS}2 diamagnetic or {FeIIILSCoIIHS}2 paramagnetic state.
• Authors of publication: De, Siddhartha; Jimenez, Juan Ramòn; Li, Yanling; Chamoreau, Lise-Marie; Journaux, Yves; Bousseksou, Azzedine; flambard, alexandrine; Lescouëzec, Rodrigue
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 15.0458 ± 0.0003 Å
• b: 17.5052 ± 0.0004 Å
• c: 19.0698 ± 0.0005 Å
• α: 85.058 ± 0.001°
• β: 78.287 ± 0.001°
• γ: 84.843 ± 0.001°
• Cell volume: 4886.2 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1276
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1598
• Weighted residual factors for all reflections included in the refinement: 0.1934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No