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Information card for entry 4321861
Preview
| Coordinates | 4321861.cif |
|---|---|
| Structure factors | 4321861.hkl |
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H58 Cu2 N8 O18 |
|---|---|
| Calculated formula | C18 H58 Cu2 N8 O18 |
| Title of publication | Structural Variation of Dinuclear Transition Metal Compounds with a Common Type of Ligand: Solid State and Solution Structures and Model Studies |
| Authors of publication | Peter Comba; Sergey P. Gavrish; Robert W. Hay; Peter Hilfenhaus; Yaroslaw D. Lampeka; Philip Lightfoot; Alexander Peters |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 1999 |
| Journal volume | 38 |
| Pages of publication | 1416 - 1421 |
| a | 8.739 ± 0.004 Å |
| b | 12.14 ± 0.004 Å |
| c | 17.207 ± 0.006 Å |
| α | 90° |
| β | 103.91 ± 0.03° |
| γ | 90° |
| Cell volume | 1772 ± 1.2 Å3 |
| Cell temperature | 566.2 K |
| Ambient diffraction temperature | 566.2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.0403 |
| Weighted residual factors for significantly intense reflections | 0.0436 |
| Goodness-of-fit parameter for significantly intense reflections | 2.893 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKalpha |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4321861.cif 4321861.hkl |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4321861.cif 4321861.hkl |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4321861.cif 4321861.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 4321861.cif 4321861.hkl |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4321861.cif 4321861.hkl |
| 34320 | 2012-02-24 | hkl/ Reorganizing all Fobs directories (.hkl files) into a prefix tree directory. |
4321861.cif 4321861.hkl |
| 32116 | 2012-02-04 | hkl/ Settin the svn:keywords property on the recently deposited .hkl files. |
4321861.cif 4321861.hkl |
| 20895 | 2011-06-15 | hkl/4 and smi/1 Three hkl files downloaded from Inorg. Chem. and three smiles of tungsten clusters |
4321861.cif 4321861.hkl |
| 19703 | 2011-05-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4321861 via cif-deposit CGI script. |
4321861.cif |
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Users of the data should acknowledge the original authors of the
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