Information card for entry 4323723

Structure parameters

• Common name: tetrakis(schiff base)tris(hydroxo)octacopper(II) perchlorate.3H2O.C7H12
• Formula: C59 H97 Cl Cu8 N8 O22
• Calculated formula: C59 H76 Cl Cu8 N8 O22
• SMILES: [Cu]1234([O]5[Cu]678[N]9CC%10[O]6[Cu]6%11%12[O]([Cu]%13%14%15[O]([Cu]%16%17([O]6C(=CC(=[N]%17CC6[O]%16[Cu]%16([N](C6)=C(C=C([O]2%16)C)C)([O]7C(=CC=9C)C)[OH]38)C)C)[OH]%11%14)C(=CC(=[N]%15CC2[O]%13[Cu]367[N](=C(C=C([O]6[Cu]68([O]3C(=CC(=[N]8CC([O]16)C[N]4=C(C=C5C)C)C)C)[OH]7)C)C)C2)C)C)C(=CC(=[N]%12C%10)C)C)[OH2].O.Cl(=O)(=O)(=O)[O-].CC=CC(C=C)C.O
• Title of publication: An Alkoxo-Hydroxo-Bridged Octanuclear Copper(II) Complex with a Hydrophobic Exterior and a Hydrophilic Metallamacrobicyclic Core Showing Selective Hydrogen-Bonding Interactions
• Authors of publication: Kannappan Geetha; Munirathinam Nethaji; Akhil R. Chakravarty
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 6134 - 6137
• a: 12.202 ± 0.005 Å
• b: 14.852 ± 0.004 Å
• c: 23.362 ± 0.005 Å
• α: 74.73 ± 0.02°
• β: 84.73 ± 0.02°
• γ: 69.42 ± 0.03°
• Cell volume: 3824 ± 2 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 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: 0.1086
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections: 0.1777
• Weighted residual factors for significantly intense reflections: 0.1391
• Goodness-of-fit parameter for all reflections: 1.067
• Goodness-of-fit parameter for significantly intense reflections: 1.069
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No