Information card for entry 4335927

Structure parameters

• Formula: C120 H134 Cu18 N32 O38 P8
• Calculated formula: C120 H134 Cu18 N32 O38 P8
• Title of publication: An Unprecedented Octadecanuclear Copper(II) Pyrazolate-Phosphonate Nanocage: Synthetic, Structural, Magnetic, and Mechanistic Study
• Authors of publication: Javeed Ahmad Sheikh; Himanshu Sekhar Jena; Amit Adhikary; Sajal Khatua; Sanjit Konar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 9717 - 9719
• a: 15.165 ± 0.003 Å
• b: 16.196 ± 0.002 Å
• c: 18.978 ± 0.003 Å
• α: 75.566 ± 0.004°
• β: 68.987 ± 0.004°
• γ: 82.835 ± 0.004°
• Cell volume: 4210.7 ± 1.2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0983
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.19
• Weighted residual factors for all reflections included in the refinement: 0.2504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No