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Information card for entry 7113561
Preview
| Coordinates | 7113561.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H95 Cl3 Cu2 N16 O16 Zn2 |
|---|---|
| Calculated formula | C62 H95 Cl3 Cu2 N16 O16 Zn2 |
| SMILES | [Cu]1234[NH]5CC[N]1(CC[NH]2Cc1ccc(C[NH]2[Zn]67([N](CC2)(CC[NH]6Cc2ccc(C5)cc2)CCO7)[n]2cn3cc2)cc1)CCO4.[Cu]1234[NH]5CC[N]2(CC[NH]1Cc1ccc(cc1)C[NH]1[Zn]26([NH](CC[N]2(CC1)CC[OH]6)Cc1ccc(cc1)C5)[n]1cn3cc1)CCO4.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
| Title of publication | A novel imidazolate-bridged heterodinuclear Cu(II)Zn(II) complex derived from a unique macrocyclic ligand with two hydroxyethyl pendants |
| Authors of publication | Li, Shu-an; Li, Dong-feng; Yang, De-xi; Li, Yi-zhi; Huang, Jin; Yu, Kai-bei; Tang, Wen-xia |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2003 |
| Journal issue | 7 |
| Pages of publication | 880 - 881 |
| a | 14.172 ± 0.002 Å |
| b | 16.673 ± 0.002 Å |
| c | 21.284 ± 0.003 Å |
| α | 74.11 ± 0.01° |
| β | 75.2 ± 0.01° |
| γ | 82.22 ± 0.01° |
| Cell volume | 4665 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0931 |
| Residual factor for significantly intense reflections | 0.0516 |
| Weighted residual factors for significantly intense reflections | 0.122 |
| Weighted residual factors for all reflections included in the refinement | 0.1282 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7104052 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210520 (current) | 2018-09-07 | cif/7/ Updating bibliography in entries 7104051-7104052, 7113560-7113561. Marking entries 7113560-7113561 as duplicates of entries 7104051-7104052. |
7113561.cif |
| 180249 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/35. |
7113561.cif |
| 115130 | 2014-06-02 | cif/ Adding structures of 7113560, 7113561 via cif-deposit CGI script. |
7113561.cif |
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