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Information card for entry 7040500
Preview
Coordinates | 7040500.cif |
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Original paper (by DOI) | HTML |
Formula | C33 H33 B N2 |
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Calculated formula | C33 H33 B N2 |
SMILES | n12c(cc3c1cccc3)C=[N](c1c(cccc1C(C)C)C(C)C)[B]2(c1ccccc1)c1ccccc1 |
Title of publication | Boron complexes of aromatic ring fused iminopyrrolyl ligands: synthesis, structure, and luminescence properties. |
Authors of publication | Suresh, D.; Ferreira, Bruno; Lopes, Patrícia S; Gomes, Clara S. B.; Krishnamoorthy, Paramasivam; Charas, Ana; Vila-Viçosa, Diogo; Morgado, Jorge; Calhorda, Maria José; Maçanita, António L; Gomes, Pedro T. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 39 |
Pages of publication | 15603 - 15620 |
a | 10.6591 ± 0.0009 Å |
b | 8.7127 ± 0.0007 Å |
c | 14.2325 ± 0.0013 Å |
α | 90° |
β | 90.856 ± 0.005° |
γ | 90° |
Cell volume | 1321.6 ± 0.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 n 1 |
Hall space group symbol | P -2yac |
Residual factor for all reflections | 0.1201 |
Residual factor for significantly intense reflections | 0.108 |
Weighted residual factors for significantly intense reflections | 0.3148 |
Weighted residual factors for all reflections included in the refinement | 0.3277 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
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