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Information card for entry 2236590
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| Coordinates | 2236590.cif |
|---|---|
| Structure factors | 2236590.hkl |
| Original IUCr paper | HTML |
| Common name | Ni(II)(Di-iBu-Por) |
|---|---|
| Chemical name | [5,15-Bis(2-methylpropylporphyrinato]nickel(II) |
| Formula | C28 H28 N4 Ni |
| Calculated formula | C28 H28 N4 Ni |
| Title of publication | [5,15-Bis(2-methylpropyl)porphyrinato]nickel(II) |
| Authors of publication | Senge, Mathias O. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 9 |
| Pages of publication | m1191 - m1192 |
| a | 9.951 ± 0.002 Å |
| b | 13.197 ± 0.003 Å |
| c | 13.7 ± 0.003 Å |
| α | 73.03 ± 0.03° |
| β | 75.27 ± 0.03° |
| γ | 73.39 ± 0.03° |
| Cell volume | 1620.1 ± 0.7 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 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 | 0.0464 |
| Residual factor for significantly intense reflections | 0.0331 |
| Weighted residual factors for significantly intense reflections | 0.0887 |
| Weighted residual factors for all reflections included in the refinement | 0.096 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181287 (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 2/23/65. |
2236590.cif 2236590.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. |
2236590.cif 2236590.hkl |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
2236590.cif 2236590.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236590.cif 2236590.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. | 2236590.cif 2236590.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236590.cif 2236590.hkl |
| 70170 | 2012-12-21 | cif/ Adding structures of 2236590 via cif-deposit CGI script. |
2236590.cif |
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Users of the data should acknowledge the original authors of the
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