Information card for entry 4337082

Structure parameters

• Formula: C39 H73 K2 N9 Ni2 O7
• Calculated formula: C39 H66 K2 N9 Ni2 O7
• Title of publication: Huge Magnetic Anisotropy in a Trigonal-Pyramidal Nickel(II) Complex.
• Authors of publication: Gómez-Coca, Silvia; Cremades, Eduard; Aliaga-Alcalde, Núria; Ruiz, Eliseo
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 676 - 678
• a: 18.75 ± 0.011 Å
• b: 9.636 ± 0.005 Å
• c: 14.324 ± 0.004 Å
• α: 90°
• β: 93.26 ± 0.02°
• γ: 90°
• Cell volume: 2584 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No