Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2227768
Preview
| Coordinates | 2227768.cif |
|---|---|
| Structure factors | 2227768.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,9-Dimethyl-1,10-phenanthrolin-1-ium (6-carboxy-4-hydroxypyridine-2- carboxylato-κ^3^O^2^,<i>N</i>,<i>O</i>^6^)(4-hydroxypyridine-2,6-dicarboxylato- κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)nickelate(II) 2.35-hydrate |
|---|---|
| Formula | C28 H24.7 N4 Ni O12.35 |
| Calculated formula | C28 H24.7 N4 Ni O12.35 |
| Title of publication | 2,9-Dimethyl-1,10-phenanthrolin-1-ium (6-carboxy-4-hydroxypyridine-2-carboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)(4-hydroxypyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)nickelate(II) 2.35-hydrate: a proton-transfer compound |
| Authors of publication | Derakhshandeh, Maryam; Derikvand, Zohreh; Nemati, Andya; Stoeckli-Evans, Helen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 9 |
| Pages of publication | m1084 - m1085 |
| a | 11.1663 ± 0.0008 Å |
| b | 9.7296 ± 0.0009 Å |
| c | 25.698 ± 0.002 Å |
| α | 90° |
| β | 94.33 ± 0.009° |
| γ | 90° |
| Cell volume | 2784 ± 0.4 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 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 | 0.0648 |
| Residual factor for significantly intense reflections | 0.0324 |
| Weighted residual factors for significantly intense reflections | 0.0654 |
| Weighted residual factors for all reflections included in the refinement | 0.0711 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.816 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181198 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/77. |
2227768.cif 2227768.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2227768.cif 2227768.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227768.cif 2227768.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. | 2227768.cif 2227768.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227768.cif 2227768.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227768.cif 2227768.hkl |
| 4805 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2227768 via cif-deposit CGI script. |
2227768.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.