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Information card for entry 4075835
Preview
| Coordinates | 4075835.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C60 H69 F3 N2 O6 P2 Ru S |
|---|---|
| Calculated formula | C60 H69 F3 N2 O6 P2 Ru S |
| Title of publication | New Features of Bis(phosphinimine)-“carbene” Binding to RuII |
| Authors of publication | Smurnyy, Yegor; Bibal, Christine; Pink, Maren; Caulton, Kenneth G. |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| Journal volume | 24 |
| Journal issue | 16 |
| Pages of publication | 3849 |
| a | 28.993 ± 0.003 Å |
| b | 11.078 ± 0.0011 Å |
| c | 21.234 ± 0.002 Å |
| α | 90° |
| β | 125.623 ± 0.002° |
| γ | 90° |
| Cell volume | 5543.8 ± 1 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0588 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for significantly intense reflections | 0.1027 |
| Weighted residual factors for all reflections included in the refinement | 0.1095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4075835.cif |
| 198632 | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 524 files were changed. |
4075835.cif |
| 178647 | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/58. |
4075835.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4075835.cif |
| 50695 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 4075835 via cif-deposit CGI script. |
4075835.cif |
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Users of the data should acknowledge the original authors of the
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