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Information card for entry 2229702
Preview
Coordinates | 2229702.cif |
---|---|
Structure factors | 2229702.hkl |
Original IUCr paper | HTML |
Chemical name | Bis(2,4-dichlorophenoxyacetato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)(5,5'- dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(II) |
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Formula | C28 H22 Cl4 Co N2 O6 |
Calculated formula | C28 H22 Cl4 Co N2 O6 |
SMILES | c1(c(cc(cc1)Cl)Cl)OCC1=[O][Co]23([n]4cc(ccc4c4[n]2cc(cc4)C)C)(O1)[O]=C(COc1c(cc(cc1)Cl)Cl)O3 |
Title of publication | Bis(2,4-dichlorophenoxyacetato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(II) |
Authors of publication | Ji, Li-Li; Liu, Jian-She; Song, Wen-Dong |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 4 |
Pages of publication | m493 |
a | 13.397 ± 0.002 Å |
b | 8.4152 ± 0.0014 Å |
c | 13.752 ± 0.002 Å |
α | 90° |
β | 112.57 ± 0.003° |
γ | 90° |
Cell volume | 1431.6 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/c 1 |
Hall space group symbol | -P 2yc |
Residual factor for all reflections | 0.0425 |
Residual factor for significantly intense reflections | 0.034 |
Weighted residual factors for significantly intense reflections | 0.0836 |
Weighted residual factors for all reflections included in the refinement | 0.1056 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.137 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181218 (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 2/22/97. |
2229702.cif 2229702.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. |
2229702.cif 2229702.hkl |
120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229702.cif 2229702.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. | 2229702.cif 2229702.hkl |
26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229702.cif 2229702.hkl |
19531 | 2011-05-17 | hkl/2/ Adding Fobs data for the latest IUCr deposition. |
2229702.cif 2229702.hkl |
19169 | 2011-05-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2229702 via cif-deposit CGI script. |
2229702.cif |
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Users of the data should acknowledge the original authors of the
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