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Information card for entry 7045373
Preview
| Coordinates | 7045373.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C104 H124 F12 N4 O36 Rh4 S4 |
|---|---|
| Calculated formula | C100 H100 N4 O12 Rh4 |
| SMILES | C12=[O][Rh]34567(OC1=[O][Rh]189%10([n]%11ccc(cc%11)/C=C/C%11%12OOC(c%13c%11cccc%13)(c%11ccccc%12%11)/C=C/c%11cc[n](cc%11)[Rh]%11%12%13%14%15(OC%16=[O][Rh]%17%18%19%20([n]%21ccc(cc%21)/C=C/C%21%22OOC(c%23c%21cccc%23)(c%21ccccc%22%21)/C=C/c%21cc[n]3cc%21)(OC%16=[O]%11)[c]3([c]%17([c]%18([c]%19([c]%203C)C)C)C)C)[c]3([c]%15([c]%14([c]%13([c]%123C)C)C)C)C)(O2)[c]2([c]1([c]9([c]%10([c]82C)C)C)C)C)[c]1([c]5([c]6([c]7([c]41C)C)C)C)C |
| Title of publication | Light-initiated reversible conversion of macrocyclic endoperoxides derived from half-sandwich rhodium-based metallarectangles. |
| Authors of publication | Shan, Wei-Long; Gao, Wen-Xi; Lin, Yue-Jian; Jin, Guo-Xin |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 8 |
| Pages of publication | 2769 - 2777 |
| a | 37.892 ± 0.004 Å |
| b | 16.239 ± 0.0015 Å |
| c | 27.209 ± 0.005 Å |
| α | 90° |
| β | 130.389 ± 0.005° |
| γ | 90° |
| Cell volume | 12752 ± 3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1968 |
| Residual factor for significantly intense reflections | 0.1175 |
| Weighted residual factors for significantly intense reflections | 0.3393 |
| Weighted residual factors for all reflections included in the refinement | 0.3932 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 229397 (current) | 2019-11-17 | cif/ Updating files of 7045371, 7045372, 7045373, 7045374, 7045375, 7045376 Original log message: Adding full bibliography for 7045371--7045376.cif. |
7045373.cif |
| 205620 | 2018-01-25 | cif/ Adding structures of 7045371, 7045372, 7045373, 7045374, 7045375, 7045376 via cif-deposit CGI script. |
7045373.cif |
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Users of the data should acknowledge the original authors of the
structural data.