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Information card for entry 7048803
Preview
Coordinates | 7048803.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H35 Co F6 N4 O3 P |
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Calculated formula | C16 H35 Co F6 N4 O3 P |
Title of publication | Acetate as a model for aspartate-based CXCR4 chemokine receptor binding of cobalt and nickel complexes of cross-bridged tetraazamacrocycles. |
Authors of publication | Cain, Amy N.; Carder Freeman, TaRynn N; Roewe, Kimberly D.; Cockriel, David L.; Hasley, Travis R.; Maples, Randall D.; Allbritton, Elisabeth M. A.; D'Huys, Thomas; van Loy, Tom; Burke, Benjamin P.; Prior, Timothy J.; Schols, Dominique; Archibald, Stephen J.; Hubin, Timothy J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2019 |
Journal volume | 48 |
Journal issue | 8 |
Pages of publication | 2785 - 2801 |
a | 25.992 ± 0.003 Å |
b | 25.992 ± 0.003 Å |
c | 17.3325 ± 0.0015 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 10140.8 ± 1.9 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 161 |
Hermann-Mauguin space group symbol | R 3 c :H |
Hall space group symbol | R 3 -2"c |
Residual factor for all reflections | 0.0779 |
Residual factor for significantly intense reflections | 0.037 |
Weighted residual factors for significantly intense reflections | 0.0563 |
Weighted residual factors for all reflections included in the refinement | 0.0624 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.678 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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