Information card for entry 7713984

Structure parameters

• Formula: C15 H20 Br2 Fe N P
• Calculated formula: C15 H20 Br2 Fe N P
• Title of publication: Phosphinoquinoline supported CoII, NiII, and FeII complexes: divergent behaviour upon reduction
• Authors of publication: SCHILTZ, pauline; Casaretto, Nicolas; Bourcier, Sophie; Gosmini, Corinne; Auffrant, Audrey
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 10.4908 ± 0.0008 Å
• b: 12.7615 ± 0.0009 Å
• c: 13.16 ± 0.0012 Å
• α: 90°
• β: 90.251 ± 0.005°
• γ: 90°
• Cell volume: 1761.8 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.083
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.1064
• 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