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Information card for entry 2240057
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| Coordinates | 2240057.cif |
|---|---|
| Structure factors | 2240057.hkl |
| Original IUCr paper | HTML |
| Chemical name | {μ-6,6'-Dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}(methanol)(nitrato)nickel(II)sodium |
|---|---|
| Formula | C19 H22 N3 Na Ni O8 |
| Calculated formula | C19 H22 N3 Na Ni O8 |
| SMILES | N1(=[O][Na]234(O1)([OH]C)[O]1c5c([O]2C)cccc5C=[N]2CC[N]5=Cc6cccc(c6[O]3[Ni]125)[O]4C)=O |
| Title of publication | Crystal structure of {μ-6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}(methanol)(nitrato)nickel(II)sodium |
| Authors of publication | Moroz, Olesia V.; Trush, Viktor A.; Sliva, Tatiana Yu.; Konovalova, Irina S.; Amirkhanov, Vladimir M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 11 |
| Pages of publication | 305 - 308 |
| a | 7.207 ± 0.001 Å |
| b | 11.047 ± 0.001 Å |
| c | 13.619 ± 0.001 Å |
| α | 95.3 ± 0.01° |
| β | 99.81 ± 0.01° |
| γ | 99.05 ± 0.01° |
| Cell volume | 1047.2 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0615 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.0761 |
| Weighted residual factors for all reflections included in the refinement | 0.0809 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.903 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181900 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/00 |
2240057.cif 2240057.hkl |
| 181320 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/00. |
2240057.cif 2240057.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240057.cif 2240057.hkl |
| 125121 | 2014-10-09 | cif/ hkl/ Adding structures of 2240057 via cif-deposit CGI script. |
2240057.cif 2240057.hkl |
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Users of the data should acknowledge the original authors of the
structural data.