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Information card for entry 2235906
Preview
| Coordinates | 2235906.cif |
|---|---|
| Structure factors | 2235906.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | {μ-2-[(3-Amino-2,2-dimethylpropyl)iminomethyl]-6-methoxyphenolato- 1:2κ^5^<i>O</i>^1^,<i>O</i>^6^:<i>N</i>,<i>N</i>',<i>O</i>^1^}{2-[(3-amino- 2,2-dimethylpropyl)iminomethyl]-6-methoxyphenolato-1κ^3^<i>N</i>,<i>N</i>', <i>O</i>^1^}-μ-azido-1:2κ^2^<i>N</i>:<i>N</i>-azido-2κ<i>N</i>- methanol-2κ<i>O</i>-dinickel(II) |
|---|---|
| Formula | C27 H42 N10 Ni2 O5 |
| Calculated formula | C27 H42 N10 Ni2 O5 |
| SMILES | [Ni]1234(Oc5c(OC)cccc5C=[N]2CC(C[NH2]3)(C)C)[O](C)c2cccc3c2[O]1[Ni]1([OH]C)([N](=C3)CC(C[NH2]1)(C)C)([N]4=N#N)N=N#N |
| Title of publication | {μ-2-[(3-Amino-2,2-dimethylpropyl)iminomethyl]-6-methoxyphenolato-1:2κ^5^<i>O</i>^1^,<i>O</i>^6^:<i>N</i>,<i>N</i>',<i>O</i>^1^}{2-[(3-amino-2,2-dimethylpropyl)iminomethyl]-6-methoxyphenolato-1κ^3^<i>N</i>,<i>N</i>',<i>O</i>^1^}-μ-azido-1:2κ^2^<i>N</i>:<i>N</i>-azido-2κ<i>N</i>-methanol-2κ<i>O</i>-dinickel(II) |
| Authors of publication | Ghaemi, Akbar; Rayati, Saeed; Fayyazi, Kazem; Ng, Seik Weng; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 8 |
| Pages of publication | m1027 - m1028 |
| a | 8.0907 ± 0.0002 Å |
| b | 18.523 ± 0.0004 Å |
| c | 21.1162 ± 0.0004 Å |
| α | 90° |
| β | 96.674 ± 0.002° |
| γ | 90° |
| Cell volume | 3143.11 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0414 |
| Residual factor for significantly intense reflections | 0.0314 |
| Weighted residual factors for significantly intense reflections | 0.0704 |
| Weighted residual factors for all reflections included in the refinement | 0.0755 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2235906.cif 2235906.hkl |
| 181281 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/59. |
2235906.cif 2235906.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2235906.cif 2235906.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235906.cif 2235906.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2235906.cif 2235906.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235906.cif 2235906.hkl |
| 65987 | 2012-09-06 | cif/ Adding structures of 2235906 via cif-deposit CGI script. |
2235906.cif |
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