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Information card for entry 7709118
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Coordinates | 7709118.cif |
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Original paper (by DOI) | HTML |
Chemical name | Carbonyl-bromido-tris{hydrido(3,4,5-trimethylpyrazolyl)borato}tungsten(II)-(μ-η2-C,C?-κ2-C,N-prop-1-in-1,3-diylpyridine)-bis(2,2-phendiylpyridine)iridium(III) |
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Formula | C53 H58 B Br Cl8 Ir N9 O W |
Calculated formula | C49 H50 B Br Ir N9 O W |
Title of publication | Development and application of redox-active cyclometallating ligands based on W(II) alkyne complexes |
Authors of publication | Hüttenschmidt, Mareike; Lange, Helge; Cordero, Miguel A. Argüello; Villinger, Alexander; Lochbrunner, Stefan; Seidel, Wolfram Willy |
Journal of publication | Dalton Transactions |
Year of publication | 2022 |
a | 10.103 ± 0.002 Å |
b | 16.208 ± 0.004 Å |
c | 18.094 ± 0.004 Å |
α | 85.391 ± 0.006° |
β | 75.116 ± 0.005° |
γ | 75.734 ± 0.005° |
Cell volume | 2774.7 ± 1.1 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 9 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1042 |
Residual factor for significantly intense reflections | 0.0631 |
Weighted residual factors for significantly intense reflections | 0.1384 |
Weighted residual factors for all reflections included in the refinement | 0.1518 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.962 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7709118.html
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