Information card for entry 7710414

Structure parameters

• Formula: C42 H30 Cl2 Fe O6 P2
• Calculated formula: C42 H30 Cl2 Fe O6 P2
• Title of publication: Mixed valency in a neutral 1D Fe-chloranilate coordination polymer.
• Authors of publication: Clutterbuck, Katelyn M.; Abrahams, Brendan F.; Hudson, Timothy A.; van Koeverden, Martin P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 24
• Pages of publication: 9199 - 9205
• a: 12.662 ± 0.003 Å
• b: 13.378 ± 0.003 Å
• c: 12.892 ± 0.003 Å
• α: 90°
• β: 119.05 ± 0.03°
• γ: 90°
• Cell volume: 1909.1 ± 0.9 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.182
• Weighted residual factors for all reflections included in the refinement: 0.1903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No