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Information card for entry 2227270
Preview
| Coordinates | 2227270.cif |
|---|---|
| Structure factors | 2227270.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetra-μ~3~-methanolato-tetrakis[(2-formyl-6- methoxyphenolato)methanolnickel(II)] |
|---|---|
| Formula | C40 H56 Ni4 O20 |
| Calculated formula | C40 H56 Ni4 O20 |
| SMILES | c12c(cccc1OC)C=[O][Ni]13(O2)([O]2(C)[Ni]45(Oc6c(cccc6OC)C=[O]4)([O]1(C)[Ni]14(Oc6c(cccc6OC)C=[O]1)([O]5(C)[Ni]12(Oc2c(cccc2OC)C=[O]1)([O]34C)[OH]C)[OH]C)[OH]C)[OH]C |
| Title of publication | Tetra-μ~3~-methanolato-tetrakis[(2-formyl-6-methoxyphenolato)methanolnickel(II)] |
| Authors of publication | Ayikoe, Kouassi; Butcher, Ray J.; Gultneh, Yilma |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 11 |
| Pages of publication | m1487 - m1488 |
| a | 22.267 ± 0.0009 Å |
| b | 22.267 ± 0.0009 Å |
| c | 9.70106 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4810 ± 0.3 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.0493 |
| Residual factor for significantly intense reflections | 0.0315 |
| Weighted residual factors for significantly intense reflections | 0.0785 |
| Weighted residual factors for all reflections included in the refinement | 0.0809 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181193 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/72. |
2227270.cif 2227270.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2227270.cif 2227270.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227270.cif 2227270.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. | 2227270.cif 2227270.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227270.cif 2227270.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227270.cif 2227270.hkl |
| 4307 | 2010-12-17 | ../uploads/cif-deposit/cod/cif Adding structures of 2227270 via cif-deposit CGI script. |
2227270.cif |
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Users of the data should acknowledge the original authors of the
structural data.