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Information card for entry 2232895
Preview
| Coordinates | 2232895.cif |
|---|---|
| Structure factors | 2232895.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II) |
|---|---|
| Formula | C22 H22 Co N2 O4 |
| Calculated formula | C22 H22 Co N2 O4 |
| SMILES | CC1=CC(C)=[O][Co]23(O1)([n]1cccc4c1c1c(ccc[n]21)cc4)OC(=CC(C)=[O]3)C |
| Title of publication | Bis(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II) |
| Authors of publication | Perdih, Franc |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m1697 |
| a | 10.266 ± 0.0002 Å |
| b | 12.6981 ± 0.0003 Å |
| c | 15.5885 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2032.1 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b n a |
| Hall space group symbol | -P 2ac 2b |
| Residual factor for all reflections | 0.0369 |
| Residual factor for significantly intense reflections | 0.0319 |
| Weighted residual factors for all reflections included in the refinement | 0.0888 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181250 (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 2/23/28. |
2232895.cif 2232895.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. |
2232895.cif 2232895.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2232895.cif 2232895.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232895.cif 2232895.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. | 2232895.cif 2232895.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232895.cif 2232895.hkl |
| 31779 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232895 via cif-deposit CGI script. |
2232895.cif |
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