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Information card for entry 2227743
Preview
| Coordinates | 2227743.cif |
|---|---|
| Structure factors | 2227743.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(tetraphenylarsonium) di-μ-hydroxido-bis[(nitrilotriacetato)cobalt(III)] octahydrate |
|---|---|
| Formula | C60 H70 As2 Co2 N2 O22 |
| Calculated formula | C60 H70 As2 Co2 N2 O22 |
| SMILES | [As+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C1(=O)C[N]23CC(=O)O[Co]453(O1)(OC(=O)C2)[OH][Co]1235([N](CC(=O)O1)(CC(=O)O2)CC(=O)O3)[OH]4.O.O.O.O.[As+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O.O.O.O |
| Title of publication | Bis(tetraphenylarsonium) di-μ-hydroxido-bis[(nitrilotriacetato)cobalt(III)] octahydrate |
| Authors of publication | Visser, Hendrik G.; Clegg, Jack K. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 11 |
| Pages of publication | m1401 - m1402 |
| a | 7.328 ± 0.005 Å |
| b | 14.491 ± 0.005 Å |
| c | 16.564 ± 0.005 Å |
| α | 113.555 ± 0.005° |
| β | 97.04 ± 0.005° |
| γ | 101.152 ± 0.005° |
| Cell volume | 1542.4 ± 1.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0348 |
| Residual factor for significantly intense reflections | 0.0296 |
| Weighted residual factors for significantly intense reflections | 0.0898 |
| Weighted residual factors for all reflections included in the refinement | 0.0982 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.929 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197043 (current) | 2017-05-30 | cif/2 Fixing some Z values and formulae |
2227743.cif 2227743.hkl |
| 181198 | 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 2/22/77. |
2227743.cif 2227743.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. |
2227743.cif 2227743.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227743.cif 2227743.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. | 2227743.cif 2227743.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227743.cif 2227743.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227743.cif 2227743.hkl |
| 4780 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2227743 via cif-deposit CGI script. |
2227743.cif |
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Users of the data should acknowledge the original authors of the
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