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Information card for entry 4318379
Preview
| Coordinates | 4318379.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 5,6-dihydrodipyrazino[1,2,3,4-lmn]-1,10-phenanthrolinium tetracyanonickelate(ii) |
|---|---|
| Formula | C18 H12 N6 Ni |
| Calculated formula | C18 H12 N6 Ni |
| Title of publication | Tetracyanometalates of Ni, Pd, and Pt with Cyclic Diquaternary Cations of 2,2'-Bipyridine and 1,10-Phenanthroline. A Vibrational, Crystallographic, and Theoretical Study of Intermolecular Weak Interactions |
| Authors of publication | Pablo Vitoria; Javier I. Beitia; Juan Manuel Gutiérrez-Zorrilla; Emilio R. Sáiz; Antonio Luque; Maite Insausti; José J. Blanco |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2002 |
| Journal volume | 41 |
| Pages of publication | 4396 - 4404 |
| a | 6.555 ± 0.002 Å |
| b | 9.426 ± 0.002 Å |
| c | 12.436 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 768.4 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 59 |
| Hermann-Mauguin space group symbol | P m n m :2 |
| Hall space group symbol | -P 2c 2a |
| Residual factor for all reflections | 0.0919 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for all reflections | 0.1354 |
| Weighted residual factors for all reflections included in the refinement | 0.1545 |
| Goodness-of-fit parameter for all reflections | 1.412 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.332 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4318379.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4318379.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4318379.cif |
| 15092 | 2011-03-14 | ../uploads/cif-deposit/cod/cif Adding structures of 4318379 via cif-deposit CGI script. |
4318379.cif |
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