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Information card for entry 7040692
Preview
Coordinates | 7040692.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H33 F6 Fe N O P3 S |
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Calculated formula | C34 H33 F6 Fe N O P3 S |
SMILES | c12ccccc1c1c3c(ccc1)c1cccc[n]1[Fe]3(C#[O])([P](C)(C)c1ccccc1)([P](C)(C)c1ccccc1)S2.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Visible-light-induced release of CO by thiolate iron(iii) carbonyl complexes bearing N,C,S-pincer ligands. |
Authors of publication | Nakae, Toyotaka; Hirotsu, Masakazu; Aono, Shigetoshi; Nakajima, Hiroshi |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 41 |
Pages of publication | 16153 - 16156 |
a | 9.3243 ± 0.0004 Å |
b | 30.8976 ± 0.0015 Å |
c | 11.4402 ± 0.0005 Å |
α | 90° |
β | 91.022 ± 0.003° |
γ | 90° |
Cell volume | 3295.4 ± 0.3 Å3 |
Cell temperature | 153 K |
Ambient diffraction temperature | 153 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0644 |
Residual factor for significantly intense reflections | 0.0509 |
Weighted residual factors for significantly intense reflections | 0.1164 |
Weighted residual factors for all reflections included in the refinement | 0.1247 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 0.710747 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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