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Information card for entry 4309527
Preview
| Coordinates | 4309527.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H30 Cu3 N6 O7 |
|---|---|
| Calculated formula | C18 H30 Cu3 N6 O7 |
| Title of publication | One-Dimensional and Two-Dimensional Coordination Polymers from Self-Assembling of Trinuclear Triangular Cu(II) Secondary Building Units |
| Authors of publication | Maurizio Casarin; Carlo Corvaja; Corrado Di Nicola; Daniele Falcomer; Lorenzo Franco; Magda Monari; Luciano Pandolfo; Claudio Pettinari; Fabio Piccinelli |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 6265 - 6276 |
| a | 10.3803 ± 0.001 Å |
| b | 11.4712 ± 0.0011 Å |
| c | 11.9532 ± 0.0012 Å |
| α | 98.536 ± 0.003° |
| β | 113.362 ± 0.002° |
| γ | 99.324 ± 0.003° |
| Cell volume | 1253.3 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0825 |
| Residual factor for significantly intense reflections | 0.0548 |
| Weighted residual factors for significantly intense reflections | 0.1339 |
| Weighted residual factors for all reflections included in the refinement | 0.1496 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.985 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4309527.cif |
| 179133 | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/95. |
4309527.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309527.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309527.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4309527.cif |
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Users of the data should acknowledge the original authors of the
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