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Information card for entry 2233079
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| Coordinates | 2233079.cif |
|---|---|
| Structure factors | 2233079.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[μ~3~-<i>N</i>'-oxidopyridine-2-carboximidamidato(2-)]bis[μ~2~-<i>N</i>'- oxidopyridine-2-carboximidamidato(1-)]tetrapyridinetetranickel(II) dinitrate |
|---|---|
| Formula | C44 H42 N18 Ni4 O10 |
| Calculated formula | C44 H42 N18 Ni4 O10 |
| SMILES | c1cccc2C3=[N]4[Ni]5([n]12)([n]1ccccc1)([n]1ccccc1)O[N]1=C(N)c2[n](cccc2)[Ni]21NC1=[N]([O]52)[Ni]2([n]5ccccc15)([n]1ccccc1)([n]1ccccc1)O[N]1=C(N)c5[n](cccc5)[Ni]1(N3)[O]42.N(=O)(=O)[O-].N(=O)(=O)[O-] |
| Title of publication | Bis[μ~3~-<i>N</i>'-oxidopyridine-2-carboximidamidato(2{-})]bis[μ~2~-<i>N</i>'-oxidopyridine-2-carboximidamidato(1{-})]tetrapyridinetetranickel(II) dinitrate |
| Authors of publication | Deng, Xiao-Hui; Ran, Jing-Wen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | m40 |
| a | 10.4356 ± 0.0006 Å |
| b | 10.719 ± 0.0008 Å |
| c | 11.2908 ± 0.0009 Å |
| α | 92.041 ± 0.006° |
| β | 98.24 ± 0.005° |
| γ | 100.87 ± 0.005° |
| Cell volume | 1224.96 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0624 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.0888 |
| Weighted residual factors for all reflections included in the refinement | 0.1 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181252 (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 2/23/30. |
2233079.cif 2233079.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. |
2233079.cif 2233079.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233079.cif 2233079.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. | 2233079.cif 2233079.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233079.cif 2233079.hkl |
| 32131 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233079 via cif-deposit CGI script. |
2233079.cif |
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Users of the data should acknowledge the original authors of the
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