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Information card for entry 4348833
Preview
Coordinates | 4348833.cif |
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Original paper (by DOI) | HTML |
Formula | C120 H12 Cu12 F72 N24 |
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Calculated formula | C119.976 H12 Cu12 F72 N24 |
Title of publication | Coinage Metal Pyrazolates [(3,5-(CF3)2Pz)M]3 (M = Au, Ag, Cu) as Buckycatchers. |
Authors of publication | Jayaratna, Naleen B.; Olmstead, Marilyn M.; Kharisov, Boris I.; Dias, H. V. Rasika |
Journal of publication | Inorganic chemistry |
Year of publication | 2016 |
Journal volume | 55 |
Journal issue | 17 |
Pages of publication | 8277 - 8280 |
a | 36.34 ± 0.003 Å |
b | 36.34 ± 0.003 Å |
c | 36.34 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 47990 ± 7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 228 |
Hermann-Mauguin space group symbol | F d -3 c :2 |
Hall space group symbol | -F 4ud 2vw 3 |
Residual factor for all reflections | 0.073 |
Residual factor for significantly intense reflections | 0.0725 |
Weighted residual factors for significantly intense reflections | 0.1507 |
Weighted residual factors for all reflections included in the refinement | 0.151 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.248 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
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233417 (current) | 2019-11-23 | cif/ Adding structures of 4348833 via cif-deposit CGI script. |
4348833.cif |
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