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Information card for entry 7116343
Preview
| Coordinates | 7116343.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C68 H110 Cl2 Ga2 N4 Na2 O3 |
|---|---|
| Calculated formula | C68 H100 Cl2 Ga2 N4 Na2 O3 |
| SMILES | CC1=[N](c2c(cccc2C(C)C)C(C)C)[Ga]([Cl]2[Na]([O](CC)CC)[Cl]([Na]2[O](CC)CC)[Ga]2[N](=C(C)C(=[N]2c2c(C(C)C)cccc2C(C)C)C)c2c(C(C)C)cccc2C(C)C)[N](=C1C)c1c(cccc1C(C)C)C(C)C.O(CC)CC |
| Title of publication | Gallium complexes with alpha-diimine and phenazine in various reduced states |
| Authors of publication | Yanxia Zhao; Yanyan Liu; Zeyi Wang; Wenhua Xu; Bin Liu; Ji-Hu Su; Biao Wu; Xiao-Juan Yang |
| Journal of publication | Chem.Commun. |
| Year of publication | 2015 |
| Journal volume | 51 |
| Pages of publication | 1237 |
| a | 22.583 ± 0.003 Å |
| b | 14.5431 ± 0.0019 Å |
| c | 22.793 ± 0.004 Å |
| α | 90° |
| β | 106.309 ± 0.004° |
| γ | 90° |
| Cell volume | 7184.6 ± 1.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.2534 |
| Residual factor for significantly intense reflections | 0.0991 |
| Weighted residual factors for significantly intense reflections | 0.2567 |
| Weighted residual factors for all reflections included in the refinement | 0.3274 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.98 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288183 (current) | 2023-12-08 | cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9827. This change affected only the misspelt variants of the '_atom_site_symmetry_multiplicity' data name. |
7116343.cif |
| 180277 | 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 7/11/63. |
7116343.cif |
| 129591 | 2015-01-13 | cif/ Adding structures of 7116343, 7116344 via cif-deposit CGI script. |
7116343.cif |
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Users of the data should acknowledge the original authors of the
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