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Information card for entry 7707792
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Coordinates | 7707792.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [Fe(Br)(PhCH2NC)2(PNPH)](BPh4) |
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Formula | C56 H71 B Br Fe N3 P2 |
Calculated formula | C56 H71 B Br Fe N3 P2 |
Title of publication | Isonitrile ruthenium and iron PNP complexes: synthesis, characterization and catalytic assessment for base-free dehydrogenative coupling of alcohols. |
Authors of publication | Nguyen, Duc Hanh; Merel, Delphine; Merle, Nicolas; Trivelli, Xavier; Capet, Frédéric; Gauvin, Régis M |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2021 |
Journal volume | 50 |
Journal issue | 29 |
Pages of publication | 10067 - 10081 |
a | 11.4473 ± 0.0004 Å |
b | 13.7872 ± 0.0005 Å |
c | 17.7984 ± 0.0007 Å |
α | 100.61 ± 0.002° |
β | 98.629 ± 0.002° |
γ | 111.026 ± 0.002° |
Cell volume | 2504.68 ± 0.17 Å3 |
Cell temperature | 99.99 K |
Ambient diffraction temperature | 99.99 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0666 |
Residual factor for significantly intense reflections | 0.0486 |
Weighted residual factors for significantly intense reflections | 0.095 |
Weighted residual factors for all reflections included in the refinement | 0.104 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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