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Information card for entry 4313908
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Coordinates | 4313908.cif |
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Original paper (by DOI) | HTML |
Chemical name | [5,10,15-triphenylcorrolato]Cu(III) |
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Formula | C37 H23 Cu N4 |
Calculated formula | C37 H23 Cu N4 |
SMILES | [Cu]123[n]4c5=C(c6[n]2c(=C(c2n1c(cc2)C(=c1[n]3c(c4cc5)cc1)c1ccccc1)c1ccccc1)cc6)c1ccccc1 |
Title of publication | X-ray Structure and Variable Temperature NMR Spectra of [meso-Triarylcorrolato]copper(III) |
Authors of publication | Christian Brückner; Raymond P. Briñas; Jeanette A. Krause Bauer |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 4495 - 4497 |
a | 9.7915 ± 0.0007 Å |
b | 11.7732 ± 0.0008 Å |
c | 12.4638 ± 0.0009 Å |
α | 111.986 ± 0.001° |
β | 93.565 ± 0.001° |
γ | 98.982 ± 0.001° |
Cell volume | 1304.5 ± 0.16 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1106 |
Residual factor for significantly intense reflections | 0.0605 |
Weighted residual factors for significantly intense reflections | 0.1188 |
Weighted residual factors for all reflections included in the refinement | 0.1381 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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