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Information card for entry 7016907
Preview
Coordinates | 7016907.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H11 Cr N O3 |
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Calculated formula | C15 H11 Cr N O3 |
SMILES | [Cr]12345([cH]6[c]5([cH]4[cH]3[cH]2[cH]16)c1ccc(N)cc1)(C#[O])(C#[O])C#[O] |
Title of publication | Haptotropic rearrangement in tricarbonylchromium complexes of 2-aminobiphenyl and 4-aminobiphenyl. |
Authors of publication | Czerwinski, Curtis J.; Guzei, Ilia A.; Riggle, Kevin M.; Schroeder, Jason R.; Spencer, Lara C. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 37 |
Pages of publication | 9439 - 9446 |
a | 6.3121 ± 0.0006 Å |
b | 12.3958 ± 0.0012 Å |
c | 16.29 ± 0.0015 Å |
α | 90° |
β | 96.994 ± 0.001° |
γ | 90° |
Cell volume | 1265.1 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0305 |
Residual factor for significantly intense reflections | 0.0275 |
Weighted residual factors for significantly intense reflections | 0.077 |
Weighted residual factors for all reflections included in the refinement | 0.0795 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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