Information card for entry 7707433

Structure parameters

• Formula: C52 H64 Cu F3 Fe N7 O7 P3 S
• Calculated formula: C52 H64 Cu F3 Fe N7 O7 P3 S
• Title of publication: Stepwise assembly of heterobimetallic complexes: synthesis, structure, and physical properties.
• Authors of publication: Lee, Justin L.; Oswald, Victoria F.; Biswas, Saborni; Hill, Ethan A.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 23
• Pages of publication: 8111 - 8119
• a: 14.8537 ± 0.0013 Å
• b: 17.1335 ± 0.0015 Å
• c: 21.4044 ± 0.0019 Å
• α: 90.905 ± 0.0015°
• β: 91.3032 ± 0.0014°
• γ: 98.1532 ± 0.0014°
• Cell volume: 5389.9 ± 0.8 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No