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Information card for entry 4319767
Preview
Coordinates | 4319767.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C75 H64 Cr2 N12 |
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Calculated formula | C75 H64 Cr2 N12 |
Title of publication | Di- and Trinuclear Complexes with the Mono- and Dianion of 2,6-Bis(phenylamino)pyridine: High-Field Displacement of Chemical Shifts Due to the Magnetic Anisotropy of Quadruple Bonds |
Authors of publication | F. Albert Cotton; Lee M. Daniels; Peng Lei; Carlos A. Murillo; Xiaoping Wang |
Journal of publication | Inorganic Chemistry |
Year of publication | 2001 |
Journal volume | 40 |
Pages of publication | 2778 - 2784 |
a | 10.4601 ± 0.0011 Å |
b | 32.321 ± 0.037 Å |
c | 18.7981 ± 0.0014 Å |
α | 90° |
β | 105.94 ± 0.02° |
γ | 90° |
Cell volume | 6111 ± 7 Å3 |
Cell temperature | 213 ± 2 K |
Ambient diffraction temperature | 213 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0784 |
Residual factor for significantly intense reflections | 0.0608 |
Weighted residual factors for all reflections | 0.155 |
Weighted residual factors for significantly intense reflections | 0.1357 |
Goodness-of-fit parameter for all reflections | 1.145 |
Goodness-of-fit parameter for significantly intense reflections | 1.129 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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