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Information card for entry 4063343
Preview
| Coordinates | 4063343.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C100 H78 N16 O12 Re4 |
|---|---|
| Calculated formula | C100 H78 N16 O12 Re4 |
| SMILES | C(#[O])[Re]12(C#[O])(C#[O])n3c4ccccc4[n]4c3c3n(c5ccccc5[n]13)[Re]4(C#[O])(C#[O])(C#[O])[n]1cn(Cc3c(Cn4c[n]2c2cc(C)c(C)cc42)cc2c(Cn4c[n](c5cc(C)c(C)cc45)[Re]4(C#[O])(C#[O])(C#[O])n5c6ccccc6[n]6c5c5n(c7ccccc7[n]45)[Re]6(C#[O])(C#[O])(C#[O])[n]4cn(C2)c2cc(C)c(C)cc42)c3)c2cc(C)c(C)cc12.Cc1ccccc1.Cc1ccccc1 |
| Title of publication | A Rigidity-Modulated Approach toward the Construction of Metallacycles from a Flexible Tetratopic Ligand |
| Authors of publication | Chuan-Hung Chuang; Malaichamy Sathiyendiran; Yi-Hsiu Tseng; Jing-Yun Wu; Kung-Chung Hsu; Chen-Hsiung Hung; Yuh-Sheng Wen; Kuang-Lieh Lu |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 2 |
| Pages of publication | 283 |
| a | 12.13 ± 0.004 Å |
| b | 17.621 ± 0.005 Å |
| c | 22.118 ± 0.007 Å |
| α | 90° |
| β | 102.221 ± 0.017° |
| γ | 90° |
| Cell volume | 4620 ± 3 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0476 |
| Residual factor for significantly intense reflections | 0.0332 |
| Weighted residual factors for significantly intense reflections | 0.0727 |
| Weighted residual factors for all reflections included in the refinement | 0.0777 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178528 (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 4/06/33. |
4063343.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063343.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063343.cif |
| 7486 | 2011-01-19 | ../uploads/cif-deposit/cod/cif Adding structures of 4063343 via cif-deposit CGI script. |
4063343.cif |
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Users of the data should acknowledge the original authors of the
structural data.