Information card for entry 7126738

Structure parameters

• Formula: C47 H47 Fe N2 P3
• Calculated formula: C47 H47 Fe N2 P3
• Title of publication: Metal-ligand cooperativity across two sites of a square planar iron(ii) complex ligated by a tetradentate PNNP ligand.
• Authors of publication: Hatzis, Gregory P.; Thomas, Christine M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 61
• Pages of publication: 8611 - 8614
• a: 17.3592 ± 0.0013 Å
• b: 16.4666 ± 0.0012 Å
• c: 14.4482 ± 0.0011 Å
• α: 90°
• β: 106.046 ± 0.003°
• γ: 90°
• Cell volume: 3969.1 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No