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Information card for entry 4064262
Preview
| Coordinates | 4064262.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H44 F6 N2 O11.5 Ru2 S2 |
|---|---|
| Calculated formula | C52 H43.5 F6 N2 O11.5 Ru2 S2 |
| SMILES | [cH]12[cH]3[Ru]456781([cH]([c]26C(C)C)[cH]7[c]38C)[O]=C1C(=[O]4)O[Ru]23467([cH]8[c]4([cH]6[cH]7[c]3([cH]28)C)C(C)C)(O1)[n]1ccc(cc1)C#Cc1c2cc3c(cccc3cc2ccc1)C#Cc1cc[n]5cc1.O.O.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F |
| Title of publication | Constructions of 2D-Metallamacrocycles Using Half-Sandwich RuII2Precursors: Synthesis, Molecular Structures, and Self-Selection for a Single Linkage Isomer |
| Authors of publication | Shanmugaraju, Sankarasekaran; Bar, Arun Kumar; Joshi, Sachin A.; Patil, Yogesh P.; Mukherjee, Partha Sarathi |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 7 |
| Pages of publication | 1951 |
| a | 18.27 ± 0.003 Å |
| b | 18.499 ± 0.003 Å |
| c | 19.008 ± 0.003 Å |
| α | 107.572 ± 0.003° |
| β | 114.973 ± 0.004° |
| γ | 90.672 ± 0.004° |
| Cell volume | 5479.4 ± 1.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.3129 |
| Residual factor for significantly intense reflections | 0.237 |
| Weighted residual factors for significantly intense reflections | 0.4093 |
| Weighted residual factors for all reflections included in the refinement | 0.4447 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.305 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178536 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/42. |
4064262.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064262.cif |
| 91856 | 2013-12-15 | smi/4 Adding SMILES for a large bunch of metalocene compounds. |
4064262.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064262.cif |
| 32832 | 2012-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4064259, 4064260, 4064261, 4064262, 4064263 via cif-deposit CGI script. |
4064262.cif |
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Users of the data should acknowledge the original authors of the
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