Information card for entry 4347382

Structure parameters

• Formula: C60 H91 Cs2 N12 Ni6 O32 P3
• Calculated formula: C60 H69 Cs2 N12 Ni6 O32 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: 15.7965 ± 0.0019 Å
• b: 16.522 ± 0.002 Å
• c: 16.532 ± 0.002 Å
• α: 82.452 ± 0.005°
• β: 80.595 ± 0.005°
• γ: 78.461 ± 0.005°
• Cell volume: 4148.9 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No