Information card for entry 7710264

Structure parameters

• Common name: n/a
• Chemical name: n/a
• Formula: C48 H40 Cl2 Fe O2 P4
• Calculated formula: C48 H40 Cl2 Fe O2 P4
• SMILES: [Fe](Cl)(Cl)([O]=P(P(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[O]=P(P(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Transition metal complexes of the PPO/POP ligand: variable coordination chemistry and photo-luminescence properties
• Authors of publication: Flecken, Franziska; Grell, Toni; Hanf, Schirin
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 18.2692 ± 0.0008 Å
• b: 10.018 ± 0.0004 Å
• c: 23.2815 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4261 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No