Information card for entry 1550629

Structure parameters

• Formula: C148.57 H175.16 B6 Cl5.16 Fe N10
• Calculated formula: C148.574 H175.16 B6 Cl5.16 Fe N10
• 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: 17.5522 ± 0.0006 Å
• b: 21.2914 ± 0.0007 Å
• c: 35.9929 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13450.9 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1439
• Residual factor for significantly intense reflections: 0.1006
• Weighted residual factors for significantly intense reflections: 0.2528
• Weighted residual factors for all reflections included in the refinement: 0.289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No