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Information card for entry 4107073
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Coordinates | 4107073.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 11012 |
---|---|
Chemical name | (CupyN2ipr2)(CH3CN) |
Formula | C52 H62 Cu N4 O2 |
Calculated formula | C40 H48 Cu N4 O2 |
Title of publication | Rapid C-H Bond Activation by a Monocopper(III)-Hydroxide Complex |
Authors of publication | Patrick J. Donoghue; Jacqui Tehranchi; Christopher J. Cramer; Ritimukta Sarangi; Edward I. Solomon; William B. Tolman |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 17602 - 17605 |
a | 14.646 ± 0.005 Å |
b | 15.53 ± 0.005 Å |
c | 38.561 ± 0.012 Å |
α | 90° |
β | 92.899 ± 0.005° |
γ | 90° |
Cell volume | 8760 ± 5 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 5 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/n 1 |
Hall space group symbol | -P 2yac |
Residual factor for all reflections | 0.1083 |
Residual factor for significantly intense reflections | 0.0734 |
Weighted residual factors for significantly intense reflections | 0.2043 |
Weighted residual factors for all reflections included in the refinement | 0.2174 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4107073.html
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