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Information card for entry 4312099
Preview
| Coordinates | 4312099.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H30 Cu0.5 F12 K O8 |
|---|---|
| Calculated formula | C28 H30 Cu0.5 F12 K O8 |
| Title of publication | Homoleptic Cobalt and Copper Phenolate A2[M(OAr)4] Compounds: The Effect of Phenoxide Fluorination |
| Authors of publication | Marisa C. Buzzeo; Amber H. Iqbal; Charli M. Long; David Millar; Sonal Patel; Matthew A. Pellow; Sahar A. Saddoughi; Abigail L. Smenton; John F. C. Turner; Jay D. Wadhawan; Richard G. Compton; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 7709 - 7725 |
| a | 12.3827 ± 0.0013 Å |
| b | 13.039 ± 0.0014 Å |
| c | 13.2356 ± 0.0014 Å |
| α | 100.929 ± 0.002° |
| β | 112.815 ± 0.002° |
| γ | 111.913 ± 0.002° |
| Cell volume | 1682.1 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.1231 |
| Residual factor for significantly intense reflections | 0.105 |
| Weighted residual factors for significantly intense reflections | 0.2885 |
| Weighted residual factors for all reflections included in the refinement | 0.3145 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301837 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
4312099.cif |
| 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. |
4312099.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4312099.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4312099.cif |
| 3604 | 2010-11-16 | ../uploads/cif-deposit/cod/cif Adding structures of 4312099 via cif-deposit CGI script. |
4312099.cif |
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Users of the data should acknowledge the original authors of the
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