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Information card for entry 2234546
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| Coordinates | 2234546.cif |
|---|---|
| Structure factors | 2234546.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(dicyanamido-κ<i>N</i>)tetrakis(pyridazine-κ<i>N</i>)nickel(II) |
|---|---|
| Formula | C20 H16 N14 Ni |
| Calculated formula | C20 H16 N14 Ni |
| SMILES | c1ccc[n](n1)[Ni]([n]1ccccn1)(N=C=NC#N)([n]1ccccn1)([n]1ccccn1)N=C=NC#N |
| Title of publication | Bis(dicyanamido-κ<i>N</i>)tetrakis(pyridazine-κ<i>N</i>)nickel(II) |
| Authors of publication | Wöhlert, Susanne; Wriedt, Mario; Jess, Inke; Näther, Christian |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 5 |
| Pages of publication | m696 |
| a | 8.1796 ± 0.0012 Å |
| b | 8.4125 ± 0.0012 Å |
| c | 8.9643 ± 0.0011 Å |
| α | 81.364 ± 0.016° |
| β | 66.027 ± 0.015° |
| γ | 84.879 ± 0.017° |
| Cell volume | 556.97 ± 0.15 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0818 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.086 |
| Weighted residual factors for all reflections included in the refinement | 0.0967 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181267 (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 2/23/45. |
2234546.cif 2234546.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. |
2234546.cif 2234546.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234546.cif 2234546.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. | 2234546.cif 2234546.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234546.cif 2234546.hkl |
| 60015 | 2012-06-14 | cif/ Adding structures of 2234546 via cif-deposit CGI script. |
2234546.cif |
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Users of the data should acknowledge the original authors of the
structural data.