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Information card for entry 4335928
Preview
Coordinates | 4335928.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H25 Cu3 N11 O7 |
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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 Å3 |
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 |
Revision | Date | Message | Files |
---|---|---|---|
179462 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/59. |
4335928.cif |
101882 | 2014-02-18 | cif/ Adding structures of 4335928 via cif-deposit CGI script. |
4335928.cif |
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Users of the data should acknowledge the original authors of the
structural data.