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Information card for entry 7027379
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Coordinates | 7027379.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Compound 3 |
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Formula | C38 H31 As N2 O3 |
Calculated formula | C38 H31 As N2 O3 |
SMILES | c1c(ccc2c1C(=O)c1ccccc21)[N-]C#N.[As+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O.O |
Title of publication | Synthesis, structure and metal compounds of a novel chromophoric cyanamide ligand |
Authors of publication | Adams, Christopher J. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1999 |
Journal issue | 12 |
Pages of publication | 2059 |
a | 12.905 ± 0.003 Å |
b | 13.584 ± 0.003 Å |
c | 9.229 ± 0.0018 Å |
α | 96.84 ± 0.03° |
β | 97.86 ± 0.03° |
γ | 107.43 ± 0.03° |
Cell volume | 1507 ± 0.7 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0633 |
Residual factor for significantly intense reflections | 0.0414 |
Weighted residual factors for significantly intense reflections | 0.0848 |
Weighted residual factors for all reflections included in the refinement | 0.093 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7027379.html
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