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Information card for entry 7112064
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Coordinates | 7112064.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | MP0235 |
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Formula | C44 H37 Cl N4 O Ti |
Calculated formula | C44 H37 Cl N4 O Ti |
SMILES | c12ccc3C(=c4ccc5=C(c6ccc7=C(c8ccc1n8[Ti](Cl)(n23)(n45)[n]67)c1c(cc(cc1C)C)C)c1ccc(cc1)OC)c1c(cc(cc1C)C)C |
Title of publication | Synthesis, structure and reactivity of group 4 corrole complexes |
Authors of publication | Rosa Padilla; Heather L. Buckley; Ashleigh L. Ward; John Arnold |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 2922 |
a | 31.206 ± 0.003 Å |
b | 7.8852 ± 0.0007 Å |
c | 17.2435 ± 0.0015 Å |
α | 90° |
β | 117.308 ± 0.003° |
γ | 90° |
Cell volume | 3770.2 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0346 |
Residual factor for significantly intense reflections | 0.033 |
Weighted residual factors for significantly intense reflections | 0.0999 |
Weighted residual factors for all reflections included in the refinement | 0.1033 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.501 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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