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Information card for entry 7011151
Preview
| Coordinates | 7011151.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C38 H64 N18 Ni O4 |
|---|---|
| Calculated formula | C38 H64 N18 Ni O4 |
| SMILES | C1(=O)N[Ni]2(NC(=O)NC(=O)N2)NC(=O)N1.[N+](CC)(CC)(CC)CC.c1(nc(N)nc(n1)N)c1ccccc1.[N+](CC)(CC)(CC)CC.c1(nc(N)nc(N)n1)c1ccccc1 |
| Title of publication | Modification of supramolecular motifs: some effects of incorporation of metal complexes into supramolecular arrays |
| Authors of publication | Michael M. Bishop; Leonard F. Lindoy; Brian W. Skelton; Allan H. White |
| Journal of publication | J. Chem. Soc., Dalton Trans. |
| Year of publication | 2002 |
| Journal issue | 3 |
| Pages of publication | 377 - 382 |
| a | 7.836 ± 0.001 Å |
| b | 10.007 ± 0.001 Å |
| c | 15.239 ± 0.002 Å |
| α | 87.349 ± 0.002° |
| β | 88.506 ± 0.002° |
| γ | 69.232 ± 0.002° |
| Cell volume | 1116.1 ± 0.2 Å3 |
| Cell temperature | 153 K |
| Ambient diffraction temperature | 153 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 | 0.048 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for all reflections | 0.047 |
| Weighted residual factors for all reflections included in the refinement | 0.044 |
| Goodness-of-fit parameter for all reflections | 1.124 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.17 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301847 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure. |
7011151.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7011151.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011151.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011151.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011151.cif |
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