Information card for entry 7713982

Structure parameters

• Formula: C31 H42 Br2 Cl2 N2 Ni P2
• Calculated formula: C31 H42 Br2 Cl2 N2 Ni P2
• SMILES: [Br-].Br[Ni]12([P](C(C)C)(C(C)C)c3cccc4c3[n]1ccc4)[P](c1c3[n]2cccc3ccc1)(C(C)C)C(C)C.ClCCl
• 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: 11.482 ± 0.002 Å
• b: 20.26 ± 0.005 Å
• c: 15.511 ± 0.003 Å
• α: 90°
• β: 107.439 ± 0.005°
• γ: 90°
• Cell volume: 3442.4 ± 1.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.102
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No