Information card for entry 4346236

Structure parameters

• Formula: C9 H6 F12 Ni O2 P2
• Calculated formula: C9 H6 F12 Ni O2 P2
• SMILES: [Ni]12345([P](O[H]O[P]1(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)[cH]1[cH]2[cH]3[cH]4[cH]51
• Title of publication: Transition Metal Complexes of Phosphinous Acids Featuring a Quasichelating Unit: Synthesis, Characterization, and Hetero-bimetallic Complexes.
• Authors of publication: Allefeld, Nadine; Bader, Julia; Neumann, Beate; Stammler, Hans-Georg; Ignat'ev, Nikolai; Hoge, Berthold
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 16
• Pages of publication: 7945 - 7952
• a: 14.2098 ± 0.0002 Å
• b: 12.7936 ± 0.0002 Å
• c: 34.4691 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6266.29 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No