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Information card for entry 4511955
Preview
| Coordinates | 4511955.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C102 H56 Cd8 N68 O8 |
|---|---|
| Calculated formula | C102 H56 Cd8 N68 O8 |
| SMILES | [Cd]12345[n]6n7[Cd]89%10%11n%12[n]%13[Cd]%14%15%16([n]%17[n]%18[Cd]%19%20%21%22[n]%23c(cccc%23c%18[nH]c%17c%17[n]%16ccnc%17)c%16n%19[n]%17[Cd]%18%19%23([n]%24c(c%25[n]%19n%21c(n%25)c%19[n]%20ccnc%19)cccc%24c%19[n]%18n%18[Cd]%20%21([n]%24ccncc%24c%24[n]%20n1c(n%24)c1[n]3c(c6nc7c3[n]%10ccnc3)ccc1)([n]1c(c%18n%19)cncc1)[n]1n3[Cd]67%10(n%18[n]%19[Cd]%20%24([n]%25c(c%26[n]%24[n]%15c([nH]%26)c%15[n]%14ccnc%15)cccc%25c%14n%20[n]6c(c6[n]7ccnc6)n%14)([n]6c(cncc6)c%19nc%18c6[n]%10c(c3nc1c1[n]%21ccnc1)ccc6)[O]%11%22)[O]5%23)[n]1c(c%17n%16)cncc1)[n]1c(cncc1)c%13nc%12c1[n]8c(c3n9[n]4c(c4[n]2ccnc4)n3)ccc1.O=N(=O)[O-].O=N(=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 | 17.9776 ± 0.0004 Å |
| b | 18.9548 ± 0.0005 Å |
| c | 23.0341 ± 0.0006 Å |
| α | 103.422 ± 0.002° |
| β | 112.134 ± 0.002° |
| γ | 101.695 ± 0.002° |
| Cell volume | 6695.4 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0577 |
| Residual factor for significantly intense reflections | 0.0487 |
| Weighted residual factors for significantly intense reflections | 0.1543 |
| Weighted residual factors for all reflections included in the refinement | 0.1611 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
| 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. |
4511955.cif |
| 124632 | 2014-10-06 | cif/ Updating files of 4511953, 4511954, 4511955, 4511956, 4511957 Original log message: Adding full bibliography for 4511953--4511957.cif. |
4511955.cif |
| 123701 | 2014-09-11 | cif/ Adding structures of 4511953, 4511954, 4511955, 4511956, 4511957 via cif-deposit CGI script. |
4511955.cif |
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