Information card for entry 7704756

Structure parameters

• Formula: C6 H6 Fe K3 O15
• Calculated formula: C6 H6 Fe K3 O15
• Title of publication: Synthesis and crystal structure of a new heteronuclear complex of Fe(iii)-K designed to produce effective catalysts for CO hydrogenation.
• Authors of publication: Razmara, Zohreh; Janczak, Jan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 30
• Pages of publication: 10498 - 10508
• a: 7.7175 ± 0.0004 Å
• b: 19.8009 ± 0.0007 Å
• c: 10.2623 ± 0.0005 Å
• α: 90°
• β: 107.634 ± 0.005°
• γ: 90°
• Cell volume: 1494.53 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No