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Information card for entry 7110873
Preview
| Coordinates | 7110873.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C112 H122 N12 Ni2 O4 Zn2 |
|---|---|
| Calculated formula | C112 H122 N12 Ni2 O4 Zn2 |
| SMILES | C12C(N([Ni]3([N]=1c1c(cc(cc1C)C)C)OC(=CC(=[O]3)C)C)c1c(cc(cc1C)C)C)=[N]([Zn]1(N2c2ccc(cc2)C)[N](=C2C(N1c1ccc(cc1)C)=[N]([Zn]1([N](=C3C(=[N]([Ni]4(N3c3c(cc(cc3C)C)C)OC(=CC(=[O]4)C)C)c3c(cc(cc3C)C)C)N1c1ccc(cc1)C)c1ccc(cc1)C)N2c1ccc(cc1)C)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1ccc(cc1)C |
| Title of publication | Di- and oligo-nuclear nickel complexes with oxalic amidinato bridging ligands: syntheses, structures and catalytic reactions |
| Authors of publication | Döhler, Thomas; Görls, Helmar; Walther, Dirk |
| Journal of publication | Chemical Communications |
| Year of publication | 2000 |
| Journal issue | 11 |
| Pages of publication | 945 |
| a | 22.2023 ± 0.0008 Å |
| b | 21.6541 ± 0.0006 Å |
| c | 25.343 ± 0.001 Å |
| α | 90° |
| β | 105.96 ± 0.002° |
| γ | 90° |
| Cell volume | 11714.5 ± 0.7 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.1752 |
| Residual factor for significantly intense reflections | 0.0862 |
| Weighted residual factors for significantly intense reflections | 0.2171 |
| Weighted residual factors for all reflections included in the refinement | 0.261 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7110873.cif |
| 180222 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/08. |
7110873.cif |
| 95985 | 2014-01-28 | cif/ Adding structures of 7110872, 7110873 via cif-deposit CGI script. |
7110873.cif |
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