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Information card for entry 4327799
Preview
| Coordinates | 4327799.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C94 H71 Cl2 F24 N26 O4 P4 Ru4 |
|---|---|
| Calculated formula | C94 H71 Cl2 F24 N26 O4 P4 Ru4 |
| Title of publication | Synthesis, Structure, and Electronic Properties of RuN6 Dinuclear Ru-Hbpp Complexes |
| Authors of publication | Stephan Roeser; Mehmed Z. Ertem; Clyde Cady; Rainer Lomoth; Jordi Benet-Buchholz; Leif Hammarström; Biprajit Sarkar; Wolfgang Kaim; Christopher J. Cramer; Antoni Llobet |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2012 |
| Journal volume | 51 |
| Pages of publication | 320 - 327 |
| a | 19.0959 ± 0.001 Å |
| b | 24.7261 ± 0.0013 Å |
| c | 21.3226 ± 0.0013 Å |
| α | 90° |
| β | 100.155 ± 0.003° |
| γ | 90° |
| Cell volume | 9910.1 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.1485 |
| Residual factor for significantly intense reflections | 0.0955 |
| Weighted residual factors for significantly intense reflections | 0.2323 |
| Weighted residual factors for all reflections included in the refinement | 0.2707 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4327799.cif |
| 179380 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/77. |
4327799.cif |
| 76721 | 2013-03-21 | cif/ Adding structures of 4327799 via cif-deposit CGI script. |
4327799.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.