Information card for entry 7046870

Structure parameters

• Formula: C66 H48 Cl2 Fe N8
• Calculated formula: C66 H48 Cl2 Fe N8
• Title of publication: Iron(ii) coordination polymer catalysed hydroboration of ketones.
• Authors of publication: Li, Li; Liu, E.; Cheng, Jessica; Zhang, Guoqi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 29
• Pages of publication: 9579 - 9584
• a: 8.9726 ± 0.0002 Å
• b: 17.332 ± 0.0004 Å
• c: 17.2173 ± 0.0004 Å
• α: 90°
• β: 91.25 ± 0.001°
• γ: 90°
• Cell volume: 2676.88 ± 0.11 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No