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Information card for entry 2230105
Preview
| Coordinates | 2230105.cif |
|---|---|
| Structure factors | 2230105.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis(μ-hexadecanoato-κ^2^<i>O</i>:<i>O</i>)bis[(2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')(hexadecanoato-κ<i>O</i>)copper(II)] methanol disolvate |
|---|---|
| Formula | C86 H148 Cu2 N4 O10 |
| Calculated formula | C86 H148 Cu2 N4 O10 |
| SMILES | C(=O)(CCCCCCCCCCCCCCC)O[Cu]12([n]3ccccc3c3[n]1cccc3)[O](C(=O)CCCCCCCCCCCCCCC)[Cu]1([n]3c(c4[n]1cccc4)cccc3)(OC(=O)CCCCCCCCCCCCCCC)[O]2C(=O)CCCCCCCCCCCCCCC.OC.OC |
| Title of publication | Bis(μ-hexadecanoato-κ^2^<i>O</i>:<i>O</i>)bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(hexadecanoato-κ<i>O</i>)copper(II)] methanol disolvate |
| Authors of publication | Che Mat, Ahmad Nazeer; Abdullah, Norbani; Khaledi, Hamid; Tee, Jia Ti |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 5 |
| Pages of publication | m599 - m600 |
| a | 9.6064 ± 0.0003 Å |
| b | 9.7506 ± 0.0003 Å |
| c | 24.0234 ± 0.0008 Å |
| α | 92.559 ± 0.002° |
| β | 98.681 ± 0.002° |
| γ | 95.516 ± 0.002° |
| Cell volume | 2210.14 ± 0.12 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0842 |
| Residual factor for significantly intense reflections | 0.0497 |
| Weighted residual factors for significantly intense reflections | 0.1103 |
| Weighted residual factors for all reflections included in the refinement | 0.1267 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2230105.cif 2230105.hkl |
| 181223 | 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 2/23/01. |
2230105.cif 2230105.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. |
2230105.cif 2230105.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230105.cif 2230105.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. | 2230105.cif 2230105.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230105.cif 2230105.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230105.cif 2230105.hkl |
| 20175 | 2011-06-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2230105 via cif-deposit CGI script. |
2230105.cif |
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