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Information card for entry 1564485
Preview
| Coordinates | 1564485.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H102 Cl5.01 F0 Mo6 N19 O38.04 Ti |
|---|---|
| Calculated formula | C40 H102 Cl5.01 Mo6 N19 O38.04 Ti |
| Title of publication | Stabilization of titanium(IV) and indium(III) complexes by coordination of [MoO3(1,4,7-triazacyclononane)] metalloligand in aqueous solution |
| Authors of publication | Sugiarto,; Kazakami, Shota; Kawamoto, Keisuke; Hayashi, Yoshihito |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2020 |
| Journal volume | 509 |
| Pages of publication | 119691 |
| a | 21.4608 ± 0.0004 Å |
| b | 21.4608 ± 0.0004 Å |
| c | 14.8972 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 5941.9 ± 0.2 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 146 |
| Hermann-Mauguin space group symbol | R 3 :H |
| Hall space group symbol | R 3 |
| Residual factor for all reflections | 0.048 |
| Residual factor for significantly intense reflections | 0.0442 |
| Weighted residual factors for significantly intense reflections | 0.1117 |
| Weighted residual factors for all reflections included in the refinement | 0.114 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268327 (current) | 2021-08-31 | cif/ Adding structures of 1564485, 1564486 via cif-deposit CGI script. |
1564485.cif |
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