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Information card for entry 7023281
Preview
| Coordinates | 7023281.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [Na3Ni2(L)6](ClO4) |
|---|---|
| Formula | C54 H60 Cl N6 Na3 Ni2 O16 |
| Calculated formula | C54 H60 Cl N6 Na3 Ni2 O16 |
| SMILES | [Na]12345[O]67[Na]89%10%11[O](c%12c7c(C=[N]([Ni]7%13%146[O]69[Na]9%15([O]37c3c(C=[N]%14C)cccc3[O]4C)([O](c3c6c(C=[N]%13C)ccc3)C)[O](C)c3cccc4c3[O]5%15[Ni]35([O]28c2c([O]1C)cccc2[CH]N3C)([O]%119c1c([O]%10C)cccc1C=[N]5C)[N](=C4)C)C)ccc%12)C.[O-]Cl(=O)(=O)=O |
| Title of publication | Homo- and heterometallic planes, chains and cubanes. |
| Authors of publication | Meally, Seán T; Taylor, Stephanie M.; Brechin, Euan K.; Piligkos, Stergios; Jones, Leigh F. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 28 |
| Pages of publication | 10315 - 10325 |
| a | 13.808 ± 0.002 Å |
| b | 13.808 ± 0.002 Å |
| c | 17.308 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2857.8 ± 0.9 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 147 |
| Hermann-Mauguin space group symbol | P -3 |
| Hall space group symbol | -P 3 |
| Residual factor for all reflections | 0.1302 |
| Residual factor for significantly intense reflections | 0.1108 |
| Weighted residual factors for significantly intense reflections | 0.2411 |
| Weighted residual factors for all reflections included in the refinement | 0.2471 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.288 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7023281.cif |
| 179937 | 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 7/02/32. |
7023281.cif |
| 90485 | 2013-11-17 | cif/ Adding structures of 7023277, 7023278, 7023279, 7023280, 7023281, 7023282 via cif-deposit CGI script. |
7023281.cif |
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Users of the data should acknowledge the original authors of the
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