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Information card for entry 1569048
Preview
| Coordinates | 1569048.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C2 Cu O4 |
|---|---|
| Calculated formula | C2 Cu O4 |
| Title of publication | Crystal Chemistry of the Copper Oxalate Biomineral Moolooite: The First Single-Crystal X-ray Diffraction Studies and Thermal Behavior. |
| Authors of publication | Kornyakov, Ilya V.; Gurzhiy, Vladislav V.; Kuz'mina, Mariya A.; Krzhizhanovskaya, Maria G.; Chukanov, Nikita V.; Chislov, Mikhail V.; Korneev, Anatolii V.; Izatulina, Alina R. |
| Journal of publication | International journal of molecular sciences |
| Year of publication | 2023 |
| Journal volume | 24 |
| Journal issue | 7 |
| Pages of publication | 6786 |
| a | 6.147 ± 0.003 Å |
| b | 5.433 ± 0.002 Å |
| c | 5.1173 ± 0.0018 Å |
| α | 90° |
| β | 114.51 ± 0.05° |
| γ | 90° |
| Cell volume | 155.5 ± 0.13 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1334 |
| Residual factor for significantly intense reflections | 0.0958 |
| Weighted residual factors for significantly intense reflections | 0.2519 |
| Weighted residual factors for all reflections included in the refinement | 0.2706 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.27 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283533 (current) | 2023-05-05 | cif/ Adding structures of 1569048 via cif-deposit CGI script. |
1569048.cif |
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Users of the data should acknowledge the original authors of the
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