Information card for entry 4335928

Structure parameters

• Formula: C24 H25 Cu3 N11 O7
• Calculated formula: C24 H25 Cu3 N11 O7
• SMILES: [Cu]12([OH]3[Cu]([n]4n([Cu]3([n]3ccccc3)[n]3n2ccc3)ccc4)([n]2n1ccc2)[n]1ccccc1)[n]1ccccc1.O=N(=O)[O-].O=N(=O)[O-]
• 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: 14.18 ± 0.01 Å
• b: 23.34 ± 0.016 Å
• c: 10.729 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3551 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 34
• Hermann-Mauguin space group symbol: P n n 2
• Hall space group symbol: P 2 -2n
• Residual factor for all reflections: 0.0996
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1921
• Weighted residual factors for all reflections included in the refinement: 0.2129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No