Information card for entry 7126735

Structure parameters

• Formula: C42 H40 Fe N2 O P2
• Calculated formula: C42 H40 Fe N2 O P2
• 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: 15.4937 ± 0.0009 Å
• b: 9.734 ± 0.0006 Å
• c: 12.9942 ± 0.0013 Å
• α: 90°
• β: 119.954 ± 0.002°
• γ: 90°
• Cell volume: 1698 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections included in the refinement: 0.0525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No