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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4063343.html
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Users of the data should acknowledge the original authors of the
structural data.