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Information card for entry 2104424
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Coordinates | 2104424.cif |
---|---|
Original IUCr paper | HTML |
Formula | C40 H42 Cl2 F24 N10 O3 P4 Ru2 |
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Calculated formula | C40 H42 Cl2 F24 N10 O3 P4 Ru2 |
Title of publication | [Ru(py)~4~Cl(NO)](PF~6~)~2~·0.5H~2~O: a model system for structural determination and <i>ab initio</i> calculations of photo-induced linkage NO isomers |
Authors of publication | Cormary, Benoît; Malfant, Isabelle; Buron-Le Cointe, Marylize; Toupet, Loïc; Delley, Bernard; Schaniel, Dominik; Mockus, Nicholas; Woike, Theo; Fejfarová, Karla; Petříček, Václav; Dušek, Michal |
Journal of publication | Acta Crystallographica Section B |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 5 |
Pages of publication | 612 - 623 |
a | 15.7224 ± 0.0004 Å |
b | 13.3917 ± 0.0004 Å |
c | 26.7648 ± 0.0007 Å |
α | 90° |
β | 92.603 ± 0.002° |
γ | 90° |
Cell volume | 5629.5 ± 0.3 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0688 |
Residual factor for significantly intense reflections | 0.0288 |
Weighted residual factors for significantly intense reflections | 0.0258 |
Weighted residual factors for all reflections included in the refinement | 0.027 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2104424.html
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