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Information card for entry 7711661
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Coordinates | 7711661.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Ir3N3S3C66 |
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Formula | C85.66 H81.11 Cl7.46 Ir3 N3 S3 |
Calculated formula | C85.668 H81.112 Cl7.464 Ir3 N3 S3 |
Title of publication | PM-IRRAS and DFT investigation of the surface orientation of new Ir piano-stool complexes attached to Au (111) |
Authors of publication | Kubiak, Clifford P.; Miller, Christopher J.; Brunner, Felix M.; Kelly, H. Ray; Cheung, Po Ling; Torquato, Nicole A.; Gembicky, Milan; Okuno, Saya; Chan, Thomas; Batista, Victor S. |
Journal of publication | Dalton Transactions |
Year of publication | 2022 |
a | 45.563 ± 0.008 Å |
b | 18.693 ± 0.003 Å |
c | 21.023 ± 0.004 Å |
α | 90° |
β | 90.978 ± 0.004° |
γ | 90° |
Cell volume | 17903 ± 5 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.091 |
Residual factor for significantly intense reflections | 0.0491 |
Weighted residual factors for significantly intense reflections | 0.1018 |
Weighted residual factors for all reflections included in the refinement | 0.1162 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Diffraction radiation X-ray symbol | K-L~3~ |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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