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Information card for entry 7040134
Preview
Coordinates | 7040134.cif |
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Original paper (by DOI) | HTML |
Formula | C33 H33 I N2 |
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Calculated formula | C33 H33 I N2 |
SMILES | C(=c1ccc([nH+]1)c1c(C)cc(cc1C)C)(c1ccccc1)c1ccc(c2c(cc(cc2C)C)C)[nH]1.[I-] |
Title of publication | Aluminum alkoxide, amide and halide complexes supported by a bulky dipyrromethene ligand: synthesis, characterization, and preliminary ε-caprolactone polymerization activity. |
Authors of publication | Gianopoulos, Christopher G.; Kumar, Nishant; Zhao, Yihong; Jia, Li; Kirschbaum, Kristin; Mason, Mark R. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 35 |
Pages of publication | 13787 - 13797 |
a | 14.46 ± 0.0019 Å |
b | 18.427 ± 0.002 Å |
c | 10.2026 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2718.5 ± 0.6 Å3 |
Cell temperature | 140 ± 2 K |
Ambient diffraction temperature | 140 ± 2 K |
Number of distinct elements | 4 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0444 |
Residual factor for significantly intense reflections | 0.032 |
Weighted residual factors for significantly intense reflections | 0.0807 |
Weighted residual factors for all reflections included in the refinement | 0.0866 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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