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Information card for entry 4122352
Preview
Coordinates | 4122352.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C118 H146 F48 N14 O20 P8 Pt2 S8 |
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Calculated formula | C118 H146 F47.988 N14 O20 P7.998 Pt2 S8 |
Title of publication | Mechanical bonds and topological effects in radical dimer stabilization. |
Authors of publication | Frasconi, Marco; Kikuchi, Takashi; Cao, Dennis; Wu, Yilei; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Sarjeant, Amy A.; Stern, Charlotte L.; Carmieli, Raanan; Wang, Cheng; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 31 |
Pages of publication | 11011 - 11026 |
a | 35.6937 ± 0.001 Å |
b | 12.349 ± 0.0004 Å |
c | 39.6287 ± 0.0011 Å |
α | 90° |
β | 99.3191 ± 0.0019° |
γ | 90° |
Cell volume | 17237.1 ± 0.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100.05 K |
Number of distinct elements | 8 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1332 |
Residual factor for significantly intense reflections | 0.1208 |
Weighted residual factors for significantly intense reflections | 0.3123 |
Weighted residual factors for all reflections included in the refinement | 0.3193 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.168 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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