Information card for entry 7127440

Structure parameters

• Formula: C31 H25 Au2 Fe N11 O6
• Calculated formula: C31 H25 Au2 Fe N11 O6
• Title of publication: A new spin crossover Fe^II coordination environment in a two-fold interpenetrated 3-D Hofmann-type framework material.
• Authors of publication: Ahmed, Manan; Xie, Zixi; Thoonen, Shannon; Hua, Carol; Kepert, Cameron J.; Price, Jason R.; Neville, Suzanne M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 1
• Pages of publication: 85 - 88
• a: 10.261 ± 0.002 Å
• b: 30.428 ± 0.006 Å
• c: 33.801 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10553 ± 4 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1957
• Weighted residual factors for all reflections included in the refinement: 0.2116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No