Information card for entry 7111094

Structure parameters

• Formula: C31 H32 F12 N12 Ni O3 P2
• Calculated formula: C31 H32 F12 N12 Ni O3 P2
• Title of publication: Structure and magnetic properties of a nickel(ii) complex of a tridentate verdazyl radical: strong ferromagnetic metal-radical exchange coupling
• Authors of publication: Barclay, Tosha M.; Hicks, Robin G.; Lemaire, Martin T.; Thompson, Laurence K.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 21
• Pages of publication: 2141
• a: 11.2095 ± 0.0016 Å
• b: 17.362 ± 0.003 Å
• c: 20.493 ± 0.003 Å
• α: 90°
• β: 91.614 ± 0.003°
• γ: 90°
• Cell volume: 3986.8 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0737
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1547
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No