Information card for entry 1550631

Structure parameters

• Formula: C263.25 H130.49 B6 Cl10.49 F90 Fe N10 P8
• Calculated formula: C263.244 H130.488 B6 Cl10.488 F90 Fe N10 P8
• Title of publication: Tuning the Formal Potential of Ferrocyanide over a 2.1 V Range
• Authors of publication: McNicholas, Brendon James; Grubbs, Robert H.; Winkler, Jay; Gray, Harry B.; Despagnet-Ayoub, Emmanuelle
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 19.29 ± 0.004 Å
• b: 19.912 ± 0.004 Å
• c: 20.432 ± 0.004 Å
• α: 65.073 ± 0.006°
• β: 68.449 ± 0.019°
• γ: 80.849 ± 0.006°
• Cell volume: 6619 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0915
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.2117
• Weighted residual factors for all reflections included in the refinement: 0.2272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No