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Information card for entry 4121438
Preview
Coordinates | 4121438.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C416 H646 Au3 B0 Cu8 F56 N74 O38 Sb7 |
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Calculated formula | C188 H152 Au3 Cu8 N36 |
Title of publication | Empirical and Theoretical Insights into the Structural Features and Host-Guest Chemistry of M8L4 Tube Architectures. |
Authors of publication | Meng, Wenjing; League, Aaron B.; Ronson, Tanya K.; Clegg, Jack K.; Isley, 3rd, William C; Semrouni, David; Gagliardi, Laura; Cramer, Christopher J.; Nitschke, Jonathan R. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 10 |
Pages of publication | 3972 - 3980 |
a | 23.054 ± 0.0005 Å |
b | 47.6698 ± 0.0016 Å |
c | 23.0934 ± 0.0005 Å |
α | 90° |
β | 90.249 ± 0.002° |
γ | 90° |
Cell volume | 25378.9 ± 1.2 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 9 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 n 1 |
Hall space group symbol | P -2yac |
Residual factor for all reflections | 0.1538 |
Residual factor for significantly intense reflections | 0.1457 |
Weighted residual factors for significantly intense reflections | 0.3618 |
Weighted residual factors for all reflections included in the refinement | 0.3709 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.595 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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