Information card for entry 1548481

Structure parameters

• Formula: C42 H31.5 Cr N O3 P2 S
• Calculated formula: C42 H30 Cr N0.5 O3 P2 S
• Title of publication: A chromium tricarbonyl complex featuring the 4,6-bis(diphenylphosphinomethyl)dibenzothiophene (PSPPh) ligand
• Authors of publication: Mastalir, Matthias; Schweinzer, Clara; Weil, Matthias; Pittenauer, Ernst; Allmaier, Günter; Kirchner, Karl
• Journal of publication: Monatshefte für Chemie
• Year of publication: 2016
• Journal volume: 147
• Journal issue: 7
• Pages of publication: 1183 - 1187
• a: 11.3922 ± 0.0007 Å
• b: 16.9725 ± 0.0011 Å
• c: 17.7886 ± 0.0011 Å
• α: 90°
• β: 94.059 ± 0.002°
• γ: 90°
• Cell volume: 3430.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0559
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0955
• 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: No
• Has Fobs: No