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Information card for entry 7023282
Preview
| Coordinates | 7023282.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [Na2Ni2(N3)2(immp)4(MeCN)2] |
|---|---|
| Formula | C40 H46 N12 Na2 Ni2 O8 |
| Calculated formula | C40 H46 N12 Na2 Ni2 O8 |
| SMILES | C[O]1c2cccc3c2[O]2[Ni]45([N](=N#N)[Ni]67([O]8c9c([O]([Na]128[N]#CC)C)cccc9C=[N]6C)([N]4=N#N)[N](=Cc1cccc(c1[O]17)[O]2C)C)([N](=C3)C)[N](=Cc3cccc([O]4C)c3[O]5[Na]124[N]#CC)C |
| 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 | 11.663 ± 0.002 Å |
| b | 11.884 ± 0.002 Å |
| c | 15.975 ± 0.003 Å |
| α | 90° |
| β | 98.72 ± 0.03° |
| γ | 90° |
| Cell volume | 2188.6 ± 0.7 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0305 |
| Residual factor for significantly intense reflections | 0.0255 |
| Weighted residual factors for significantly intense reflections | 0.0651 |
| Weighted residual factors for all reflections included in the refinement | 0.0674 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
| 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. |
7023282.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. |
7023282.cif |
| 90485 | 2013-11-17 | cif/ Adding structures of 7023277, 7023278, 7023279, 7023280, 7023281, 7023282 via cif-deposit CGI script. |
7023282.cif |
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Users of the data should acknowledge the original authors of the
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