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Information card for entry 4063342
Preview
Coordinates | 4063342.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C70 H46 Cl4 N8 O20 Re4 |
---|---|
Calculated formula | C70 H46 Cl4 N8 O20 Re4 |
SMILES | C([Re]12([n]3cn(c4c3cc(c(c4)C)C)Cc3cc(c4Cn5c[n](c6cc(c(cc56)C)C)[Re]5(C#[O])(C#[O])(C#[O])Oc6c(c(c7O[Re](C#[O])(C#[O])(C#[O])([n]8cn(Cc3c4)c3c8cc(c(c3)C)C)Oc7c6Cl)Cl)O5)Cn3c[n](c4cc(c(cc34)C)C)[Re]3(C#[O])(C#[O])(C#[O])Oc4c(c(c(O1)c(c4O3)Cl)O2)Cl)(C#[O])C#[O])#[O] |
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 | 18.0124 ± 0.0007 Å |
b | 13.2976 ± 0.0005 Å |
c | 15.5995 ± 0.0006 Å |
α | 90° |
β | 101.928 ± 0.001° |
γ | 90° |
Cell volume | 3655.7 ± 0.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1149 |
Residual factor for significantly intense reflections | 0.0507 |
Weighted residual factors for significantly intense reflections | 0.0933 |
Weighted residual factors for all reflections included in the refinement | 0.1133 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.985 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4063342.html
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Users of the data should acknowledge the original authors of the
structural data.