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Information card for entry 7709519
Preview
Coordinates | 7709519.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Ir-BTD-IG |
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Formula | C42 H28 Cl3 Ir N6 S2 |
Calculated formula | C42 H28 Cl3 Ir N6 S2 |
Title of publication | Luminescent Iridium(III) Dipyrrinato Complexes: Synthesis, X-ray Structures, DFT and Photocytotoxicity Studies of Glycosylated Derivatives |
Authors of publication | Gupta, Iti; Manav, Neha; Lone, Mohsin; Raza, Md Kausar; Chavda, Jaydeepsinh; Mori, Shigeki |
Journal of publication | Dalton Transactions |
Year of publication | 2022 |
a | 9.3922 ± 0.0006 Å |
b | 13.6988 ± 0.0011 Å |
c | 16.1785 ± 0.0006 Å |
α | 103.329 ± 0.005° |
β | 106.405 ± 0.005° |
γ | 104.69 ± 0.006° |
Cell volume | 1826.3 ± 0.2 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1081 |
Residual factor for significantly intense reflections | 0.0605 |
Weighted residual factors for significantly intense reflections | 0.1225 |
Weighted residual factors for all reflections included in the refinement | 0.1351 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.974 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7709519.html
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