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Information card for entry 1551826
Preview
| Coordinates | 1551826.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C194 H201 Cl8 N27 O54 Zn4 |
|---|---|
| Calculated formula | C194 H201 Cl8 N27 O54 Zn4 |
| SMILES | [Zn]1234([n]5c(c6[n]4cc(c4cc7[n]8[Zn]9%10([n]%11c(c%12[n]%10cc(c%10cc%13[n]%14[Zn]%15%16([n]%17c(c%18[n]%16cc(c%16cc%19[n]%20[Zn]%21%22([O](Cc%20c%16)Cc%16ccc(cc%16)COCCOCCOCc%16ccc(cc%16)C[O]%21C%19)([n]%16cc(c%19cc%20[n]3c(c%19)C[O]1Cc1ccc(cc1)COCCOCCOCc1ccc(cc1)C[O]2C%20)ccc%16c1[n]%22cc(cc1)c1ccc(N)cc1)[N]#CC)cc%18)ccc(c%17)c1ccc(N)cc1)([O](Cc%14c%10)Cc1ccc(cc1)COCCOCCOCc1ccc(cc1)C[O]%15C%13)[OH2])cc%12)ccc(c%11)c1ccc(N)cc1)([O](Cc8c4)Cc1ccc(cc1)COCCOCCOCc1ccc(cc1)C[O]9C7)[OH2])cc6)ccc(c5)c1ccc(N)cc1)[N]#CC.N#CC.N#CC.N#CC.N#CC.N#CC.N#CC.N#CC.N#CC.N#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
| Title of publication | Mechanically interlocked daisy-chain-like structures as multidimensional molecular muscles |
| Authors of publication | Jia-Cheng Chang; Shin-Han Tseng; Chien-Chen Lai; Yi-Hung Liu; Shie-Ming Peng; Sheng-Hsien Chiu |
| Journal of publication | Nature Chemistry |
| Year of publication | 2017 |
| Journal volume | 9 |
| Pages of publication | 128 - 134 |
| a | 20.5708 ± 0.0008 Å |
| b | 21.4332 ± 0.0008 Å |
| c | 24.3151 ± 0.0008 Å |
| α | 92.087 ± 0.003° |
| β | 91.4 ± 0.003° |
| γ | 112.299 ± 0.004° |
| Cell volume | 9903.7 ± 0.7 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2255 |
| Residual factor for significantly intense reflections | 0.133 |
| Weighted residual factors for significantly intense reflections | 0.3079 |
| Weighted residual factors for all reflections included in the refinement | 0.3727 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.314 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216447 (current) | 2019-06-21 | cif/ Adding structures of 1551826 via cif-deposit CGI script. |
1551826.cif |
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