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Information card for entry 7024944
Preview
| Coordinates | 7024944.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C124 H108 Cl2 F12 N42 Ni9 O5 P2 |
|---|---|
| Calculated formula | C124 H108 Cl2 F12 N42 Ni9 O5 P2 |
| SMILES | [Ni]1234([Ni]5678[Ni]9%10%11%12[Ni]%13%14%15%16[Ni]%17%18%19%20[Ni]%21%22%23%24[Ni]%25%26%27%28[Ni]%29%30%31%32[Ni](Cl)([n]%33c%34[n]%29c(N%25c%25[n]%21c(N%17c%17[n]%13c(N9c9[n]5c5[n]1cccc5cc9)ccc%17)ccc%25)ccc%34ccc%33)([n]1c5[n]%30c(N%26c9[n]%22c(N%18c%13[n]%14c(N%10c%10[n]6c6[n]2cccc6cc%10)ccc%13)ccc9)ccc5ccc1)([n]1c2[n]%31c(N%27c5[n]%23c(N%19c6[n]%15c(N%11c9[n]7c7[n]3cccc7cc9)ccc6)ccc5)ccc2ccc1)[n]1c2[n]%32c(N%28c3[n]%24c(N%20c5[n]%16c(N%12c6[n]8c7[n]4cccc7cc6)ccc5)ccc3)ccc2ccc1)Cl.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O(CC)CC.N#CC.N#CC.N#CC.N#CC.N#CC.O(CC)CC.N#CC.O.O.O |
| Title of publication | Probing the electronic communication of linear heptanickel and nonanickel string complexes by utilizing two redox-active [Ni2(napy)4]3+ moieties. |
| Authors of publication | Hua, Shao-An; Liu, Isiah Po-Chun; Hasanov, Hasan; Huang, Gin-Chen; Ismayilov, Rayyat Huseyn; Chiu, Chien-Lan; Yeh, Chen-Yu; Lee, Gene-Hsiang; Peng, Shie-Ming |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 16 |
| Pages of publication | 3890 - 3896 |
| a | 16.3842 ± 0.0003 Å |
| b | 20.5272 ± 0.0004 Å |
| c | 21.7735 ± 0.0004 Å |
| α | 107.509 ± 0.001° |
| β | 91.1126 ± 0.0012° |
| γ | 103.761 ± 0.001° |
| Cell volume | 6750.4 ± 0.2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1567 |
| Residual factor for significantly intense reflections | 0.0908 |
| Weighted residual factors for significantly intense reflections | 0.2494 |
| Weighted residual factors for all reflections included in the refinement | 0.3004 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179954 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/49. |
7024944.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
7024944.cif |
| 92757 | 2014-01-12 | cif/ Adding structures of 7024943, 7024944, 7024945 via cif-deposit CGI script. |
7024944.cif |
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