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Information card for entry 4323723
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Coordinates | 4323723.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | tetrakis(schiff base)tris(hydroxo)octacopper(II) perchlorate.3H2O.C7H12 |
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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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4323723.html
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