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Information card for entry 4109619
Preview
| Coordinates | 4109619.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C65 H90 Cr2 N4 |
|---|---|
| Calculated formula | C65 H90 Cr2 N4 |
| SMILES | [Cr]123456(N(c7c(C(C)C)cccc7C(C)C)C(=CC(=[N]1c1c(C(C)C)cccc1C(C)C)C)C)[c]17([cH]86[Cr]69%10%111(N(c1c(C(C)C)cccc1C(C)C)C(=CC(=[N]6c1c(C(C)C)cccc1C(C)C)C)C)[cH]27[cH]39[cH]4%10[cH]58%11)C |
| Title of publication | Inverted-Sandwich Dichromium(I) Complexes Supported by Two β-Diketiminates: A Multielectron Reductant and Syntheses of Chromium Dioxo and Imido |
| Authors of publication | Yi-Chou Tsai; Po-Yang Wang; Shin-An Chen; Jin-Ming Chen |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 8066 - 8067 |
| a | 17.7158 ± 0.0002 Å |
| b | 15.384 ± 0.0002 Å |
| c | 24.9281 ± 0.0004 Å |
| α | 90° |
| β | 107.906 ± 0.001° |
| γ | 90° |
| Cell volume | 6464.82 ± 0.16 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1093 |
| Residual factor for significantly intense reflections | 0.064 |
| Weighted residual factors for significantly intense reflections | 0.1613 |
| Weighted residual factors for all reflections included in the refinement | 0.1815 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4109619.cif |
| 178842 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/96. |
4109619.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109619.cif |
| 58396 | 2012-05-28 | cif/ Adding structures of 4109619 via cif-deposit CGI script. |
4109619.cif |
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Users of the data should acknowledge the original authors of the
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