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Information card for entry 1543925
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Coordinates | 1543925.cif |
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Original paper (by DOI) | HTML |
Chemical name | tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I) |
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Formula | C24 H42 Au3 N9 |
Calculated formula | C24 H42 Au3 N9 |
Title of publication | Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure |
Authors of publication | Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R. |
Journal of publication | IUCrJ |
Year of publication | 2016 |
Journal volume | 3 |
Journal issue | 5 |
a | 37.163 ± 0.007 Å |
b | 13.417 ± 0.003 Å |
c | 30.421 ± 0.006 Å |
α | 90° |
β | 88.48 ± 0.03° |
γ | 90° |
Cell volume | 15163 ± 5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
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 | 0.072 |
Residual factor for significantly intense reflections | 0.0495 |
Weighted residual factors for significantly intense reflections | 0.1434 |
Weighted residual factors for all reflections included in the refinement | 0.1723 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation wavelength | 0.6701 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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