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Information card for entry 7059991
Preview
Coordinates | 7059991.cif |
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Original paper (by DOI) | HTML |
Formula | C42 H28 Cl Ir N8 O4 S |
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Calculated formula | C42 H28 Cl Ir N8 O4 S |
Title of publication | Synthesis, structural characterization and biological properties of cyclometalated iridium(iii) complexes containing [1,2,5]-thiadiazolo-[3,4-f]-[1,10]-phenanthroline |
Authors of publication | Bhat, Satish S.; S., Naveen; Revankar, Vidyanand K.; Lokanath, N. K.; Pinjari, Rahul V.; Kumbar, Vijay; Bhat, Kishore |
Journal of publication | New Journal of Chemistry |
Year of publication | 2020 |
Journal volume | 44 |
Journal issue | 40 |
Pages of publication | 17442 - 17452 |
a | 19.775 ± 0.0006 Å |
b | 17.4755 ± 0.0006 Å |
c | 22.2462 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7687.8 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296.15 K |
Number of distinct elements | 7 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0845 |
Residual factor for significantly intense reflections | 0.0775 |
Weighted residual factors for significantly intense reflections | 0.2033 |
Weighted residual factors for all reflections included in the refinement | 0.2148 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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