Information card for entry 7707434

Structure parameters

• Formula: C52 H64 F3 Fe N7 O7 P3 S Zn
• Calculated formula: C52 H64 F3 Fe N7 O7 P3 S Zn
• 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: 14.8745 ± 0.0007 Å
• b: 17.1815 ± 0.0008 Å
• c: 21.4499 ± 0.001 Å
• α: 89.3968 ± 0.0008°
• β: 89.9334 ± 0.0008°
• γ: 81.8418 ± 0.0008°
• Cell volume: 5426.1 ± 0.4 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 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: 0.075
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No