Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2237162
Preview
| Coordinates | 2237162.cif |
|---|---|
| Structure factors | 2237162.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis({1-[(1-iminoethyl)imino]ethyl}azanido- κ^2^<i>N</i>^1^,<i>N</i>^5^)nickel(II) methanol monosolvate |
|---|---|
| Formula | C9 H20 N6 Ni O |
| Calculated formula | C9 H20 N6 Ni O |
| SMILES | CC1=NC(=[NH][Ni]2(N1)NC(=NC(=[NH]2)C)C)C.CO |
| Title of publication | Bis({1-[(1-iminoethyl)imino]ethyl}azanido-κ^2^<i>N</i>^1^,<i>N</i>^5^)nickel(II) methanol monosolvate |
| Authors of publication | Xie, Yong-Qiang; Li, Jun-Jian; Guo, Ying; Zhang, You-Ming; Wei, Tai-Bao |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 1 |
| Pages of publication | m3 |
| a | 9.2768 ± 0.0007 Å |
| b | 11.4347 ± 0.0003 Å |
| c | 12.9774 ± 0.0003 Å |
| α | 90° |
| β | 92.961 ± 0.003° |
| γ | 90° |
| Cell volume | 1374.77 ± 0.11 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.046 |
| Residual factor for significantly intense reflections | 0.0286 |
| Weighted residual factors for significantly intense reflections | 0.0701 |
| Weighted residual factors for all reflections included in the refinement | 0.082 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181293 (current) | 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 2/23/71. |
2237162.cif 2237162.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. |
2237162.cif 2237162.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2237162.cif 2237162.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. | 2237162.cif 2237162.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237162.cif 2237162.hkl |
| 73383 | 2013-02-20 | cif/ Adding structures of 2237162 via cif-deposit CGI script. |
2237162.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.