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Information card for entry 4320337
Preview
| Coordinates | 4320337.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H38 Cu N2 O4 P2 |
|---|---|
| Calculated formula | C40 H38 Cu N2 O4 P2 |
| SMILES | c1(ccccc1)P(c1ccccc1)(=[NH][Cu]([NH]=P(c1ccccc1)(c1ccccc1)c1ccccc1)(OC(=O)C)OC(=O)C)c1ccccc1 |
| Title of publication | Copper(II) Acetate Complexes, [CuLm(OAc)2]n (L = HNPPh3), Stable in the Solid State Either as a Dimer (m = 1, n = 2) or a Monomer (m = 2, n = 1) |
| Authors of publication | Jeremy C. Stephens; Masood A. Khan; Robert P. Houser |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 5064 - 5065 |
| a | 8.7983 ± 0.001 Å |
| b | 9.4952 ± 0.001 Å |
| c | 12.5588 ± 0.0013 Å |
| α | 109.609 ± 0.007° |
| β | 103.008 ± 0.008° |
| γ | 99.475 ± 0.008° |
| Cell volume | 929.42 ± 0.19 Å3 |
| Cell temperature | 198 ± 2 K |
| Ambient diffraction temperature | 198 ± 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 | 0.0384 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.093 |
| Weighted residual factors for all reflections included in the refinement | 0.0957 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| 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. |
4320337.cif |
| 179306 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/03. |
4320337.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4320337.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4320337.cif |
| 17241 | 2011-04-05 | ../uploads/cif-deposit/cod/cif Adding structures of 4320337 via cif-deposit CGI script. |
4320337.cif |
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