Information card for entry 4347383

Structure parameters

• Formula: C103 H109 Cl5 Cs N24 Ni8 O42 P3
• Calculated formula: C103 H105 Cl5 Cs N24 Ni8 O42 P3
• Title of publication: Linked Nickel Metallacrowns from a Phosphonate/2-Pyridyloximate Blend of Ligands: Structure and Magnetic Properties.
• Authors of publication: Escuer, Albert; Mayans, Júlia; Font-Bardia, Mercè
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 3161 - 3168
• a: 23.042 ± 0.0013 Å
• b: 23.042 ± 0.0013 Å
• c: 23.042 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12233.8 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.2016
• Weighted residual factors for all reflections included in the refinement: 0.2068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No