Information card for entry 7707435

Structure parameters

• Formula: C52 H64 F3 Fe N7 Ni O7 P3 S
• Calculated formula: C52 H64 F3 Fe N7 Ni 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: 21.391 ± 0.0009 Å
• b: 17.3399 ± 0.0008 Å
• c: 29.1742 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10821.2 ± 0.8 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 9
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0858
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No