Information card for entry 4327383

Structure parameters

• Formula: C31 H39 F6 N2 Ni O2 P
• Calculated formula: C31 F6 N2 Ni O2 P
• SMILES: [Ni]12(OC(=CC(=[O]1)C(C)(C)C)C(C)(C)C)[n]1ccccc1C[N]2(Cc1ccccc1)Cc1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Equilibrium of Low- and High-Spin States of Ni(II) Complexes Controlled by the Donor Ability of the Bidentate Ligands
• Authors of publication: Hideki Ohtsu; Koji Tanaka
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3024 - 3030
• a: 10.8749 ± 0.0005 Å
• b: 11.9336 ± 0.0005 Å
• c: 14.6196 ± 0.0005 Å
• α: 71.93 ± 0.01°
• β: 84.55 ± 0.02°
• γ: 63.03 ± 0.01°
• Cell volume: 1605.2 ± 0.2 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.882
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No