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Information card for entry 7704721
Preview
Coordinates | 7704721.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H18 B Cl N2 |
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Calculated formula | C23 H18 B Cl N2 |
SMILES | Clc1ccc([N]2=Cc3n(ccc3)[B]2(c2ccccc2)c2ccccc2)cc1 |
Title of publication | Luminescent halogen-substituted 2-(N-arylimino)pyrrolyl boron complexes: the internal heavy-atom effect. |
Authors of publication | Rodrigues, Ana I.; Krishnamoorthy, Paramasivam; Gomes, Clara S. B.; Carmona, Nicolas; Di Paolo, Roberto E.; Pander, Piotr; Pina, João; Sérgio Seixas de Melo, J; Dias, Fernando B.; Calhorda, Maria José; Maçanita, António L; Morgado, Jorge; Gomes, Pedro T. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2020 |
Journal volume | 49 |
Journal issue | 29 |
Pages of publication | 10185 - 10202 |
a | 9.8331 ± 0.0009 Å |
b | 10.4055 ± 0.001 Å |
c | 11.3375 ± 0.001 Å |
α | 102.953 ± 0.005° |
β | 104.742 ± 0.005° |
γ | 113.592 ± 0.004° |
Cell volume | 956 ± 0.17 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0653 |
Residual factor for significantly intense reflections | 0.0386 |
Weighted residual factors for significantly intense reflections | 0.0813 |
Weighted residual factors for all reflections included in the refinement | 0.0876 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.984 |
Diffraction radiation probe | x-ray |
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/7704721.html
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