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Information card for entry 7219392
Preview
| Coordinates | 7219392.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H58 Cl N12 Ni2 O25 Ta |
|---|---|
| Calculated formula | C66 H58 Cl N12 Ni2 O25 Ta |
| SMILES | c1cccc2c3cccc[n]3[Ni]34([n]12)([n]1ccccc1c1cccc[n]31)[n]1ccccc1c1cccc[n]41.c1cccc2c3cccc[n]3[Ni]34([n]12)([n]1ccccc1c1cccc[n]31)[n]1ccccc1c1cccc[n]41.C1(=O)C(=O)O[Ta]23(=O)(O1)(OC(C(=O)O2)=O)OC(=O)C(=O)O3.O.O.O.O.O.O.O.O.O.O.O.O.[Cl-] |
| Title of publication | Crystal disassembly and reassembly of heterometallic NiII‒TaVoxalate compounds |
| Authors of publication | Dubraja, Lidija Androš; Matković-Čalogović, Dubravka; Planinić, Pavica |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 9 |
| Pages of publication | 2021 |
| a | 14.9775 ± 0.0002 Å |
| b | 21.8439 ± 0.0002 Å |
| c | 22.3074 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7298.25 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.047 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.0774 |
| Weighted residual factors for all reflections included in the refinement | 0.0793 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.965 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180524 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/93. |
7219392.cif |
| 133241 | 2015-03-06 | cif/ Updating files of 7219391, 7219392, 7219393 Original log message: Adding full bibliography for 7219391--7219393.cif. |
7219392.cif |
| 130118 | 2015-01-27 | cif/ Adding structures of 7219391, 7219392, 7219393 via cif-deposit CGI script. |
7219392.cif |
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