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Information card for entry 4338100
Preview
| Coordinates | 4338100.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H45 Cl3 Cu3 N9 O |
|---|---|
| Calculated formula | C32 H45 Cl3 Cu3 N9 O |
| SMILES | Cc1cc(C)n2Cc3c4Cn5c(cc(C)[n]5[Cu]([n]12)[Cl][Cu]1[n]2c(C)cc(C)n2Cc(c4Cn2c(cc(C)[n]12)C)[nH]3)C.C1CCOC1.Cl[Cu][Cl-] |
| Title of publication | Single-Step Substitution of all the α, β-Positions in Pyrrole: Choice of Binuclear versus Multinuclear Complex of the Novel Polydentate Ligand. |
| Authors of publication | Ghorai, Debasish; Mani, Ganesan |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 8 |
| Pages of publication | 4117 - 4129 |
| a | 17.8756 ± 0.0011 Å |
| b | 17.0372 ± 0.0011 Å |
| c | 12.9493 ± 0.0008 Å |
| α | 90° |
| β | 102.187 ± 0.002° |
| γ | 90° |
| Cell volume | 3854.8 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.095 |
| Residual factor for significantly intense reflections | 0.0459 |
| Weighted residual factors for significantly intense reflections | 0.1142 |
| Weighted residual factors for all reflections included in the refinement | 0.1432 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179484 (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 4/33/81. |
4338100.cif |
| 112726 | 2014-05-04 | cif/ Updating files of 4338099, 4338100, 4338101, 4338102, 4338103, 4338104, 4338105, 4338106 Original log message: Adding full bibliography for 4338099--4338106.cif. |
4338100.cif |
| 109207 | 2014-04-10 | cif/ Adding structures of 4338099, 4338100, 4338101, 4338102, 4338103, 4338104, 4338105, 4338106 via cif-deposit CGI script. |
4338100.cif |
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Users of the data should acknowledge the original authors of the
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