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Information card for entry 4511954
Preview
| Coordinates | 4511954.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C102 H55 Cl N66 O6 Zn8 |
|---|---|
| Calculated formula | C102 H55 Cl N66 O6 Zn8 |
| SMILES | [Zn]123n4[n]5[Zn]678[n]9n%10[Zn]%11%12[n]%13c(c%10nc9c9nccnc9)cccc%13c9nn([Zn]%10%13%14[O]%15[Zn]%16%17([n]%18n1c(nc%18c1[n]%17c(c%17n%16[n]%16[Zn]%18%19([n]%20ccncc%20c%16n%17)([n]%16[n]%17[Zn]%20%21%15n%15[n]([Zn]%22%23([n]%24c(c%25[n]%23n%21c(n%25)c%21nccnc%21)cccc%24c%21n%22[n]7c(n%21)c7[n]6ccnc7)[O]3%12)c(nc%15c3[n]%20c(c%17[nH]c%16c6[n]%18ccnc6)ccc3)c3nccnc3)[n]3n%10c(nc3c3[n]%19ccnc3)c3[n]%13c(ccc3)c3n%14[n]%11c(n3)c3nccnc3)ccc1)c1nccnc1)n1c(nc(c3[n]2c(c4nc5c2[n]8ccnc2)ccc3)n1)c1nccnc1)c(n9)c1nccnc1.Cl(=O)(=O)(=O)[O-] |
| Title of publication | A Series of d10Metal Clusters Constructed by 2,6-Bis[3-(pyrazin-2-yl)-1,2,4-triazolyl]pyridine: Crystal Structures and Unusual Luminescences |
| Authors of publication | Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Gai, Yan-Li; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Mao-Chun |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 10 |
| Pages of publication | 5011 |
| a | 14.2829 ± 0.0003 Å |
| b | 18.2078 ± 0.0004 Å |
| c | 23.5984 ± 0.0005 Å |
| α | 110.89 ± 0.002° |
| β | 97.618 ± 0.002° |
| γ | 99.347 ± 0.002° |
| Cell volume | 5535.4 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0684 |
| Residual factor for significantly intense reflections | 0.0587 |
| Weighted residual factors for significantly intense reflections | 0.161 |
| Weighted residual factors for all reflections included in the refinement | 0.166 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179666 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/19. |
4511954.cif |
| 124632 | 2014-10-06 | cif/ Updating files of 4511953, 4511954, 4511955, 4511956, 4511957 Original log message: Adding full bibliography for 4511953--4511957.cif. |
4511954.cif |
| 123701 | 2014-09-11 | cif/ Adding structures of 4511953, 4511954, 4511955, 4511956, 4511957 via cif-deposit CGI script. |
4511954.cif |
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