Information card for entry 7706301

Structure parameters

• Formula: C30.85 H22.85 Cr2 O12 S3
• Calculated formula: C30.991 H22.782 Cr2 O12 S3
• Title of publication: Chelated Fischer carbene complexes of annulated thiophenes: synthesis, structure and electrochemistry.
• Authors of publication: Lamprecht, Zandria; Malan, Frederick P.; Fernández, Israel; Lotz, Simon; Bezuidenhout, Daniela I.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 43
• Pages of publication: 15339 - 15354
• a: 10.7421 ± 0.0013 Å
• b: 16.0557 ± 0.0018 Å
• c: 21.988 ± 0.003 Å
• α: 101.964 ± 0.004°
• β: 99.888 ± 0.004°
• γ: 103.629 ± 0.004°
• Cell volume: 3507.1 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0939
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1685
• Weighted residual factors for all reflections included in the refinement: 0.1778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No