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Information card for entry 4348528
Preview
Coordinates | 4348528.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C62 H52 Cu F6 Fe2 N4 O0 P |
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Calculated formula | C62 H52 Cu F6 Fe2 N4 P |
Title of publication | Structural, Electronic, and Computational Studies of Heteroleptic Cu(I) Complexes of 6,6'-Dimesityl-2,2'-bipyridine with Ferrocene-Appended Ethynyl-2,2'-bipyridine Ligands. |
Authors of publication | Barnsley, Jonathan E.; Scottwell, Synøve Ø; Elliott, Anastasia B. S.; Gordon, Keith C.; Crowley, James D. |
Journal of publication | Inorganic chemistry |
Year of publication | 2016 |
Journal volume | 55 |
Journal issue | 16 |
Pages of publication | 8184 - 8192 |
a | 14.1641 ± 0.0011 Å |
b | 15.7908 ± 0.0011 Å |
c | 29.13 ± 0.002 Å |
α | 95.364 ± 0.005° |
β | 92.364 ± 0.004° |
γ | 114.839 ± 0.004° |
Cell volume | 5863.3 ± 0.8 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1697 |
Residual factor for significantly intense reflections | 0.0952 |
Weighted residual factors for significantly intense reflections | 0.2556 |
Weighted residual factors for all reflections included in the refinement | 0.2896 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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