Information card for entry 7040206

Structure parameters

• Formula: C42 H36.5 Cd Cl2 N10 O11.25 S3
• Calculated formula: C42 H36 Cd Cl2 N10 O11.25 S3
• Title of publication: Co-ordination behaviour of a novel tristhiourea tripodal ligand; structural variations in a series of transition metal complexes.
• Authors of publication: Saad, Fawaz A.; Knight, James C.; Kariuki, Benson M.; Amoroso, Angelo J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 25
• Pages of publication: 10280 - 10288
• a: 13.878 ± 0.0017 Å
• b: 13.878 ± 0.0017 Å
• c: 43.257 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7215.1 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.2064
• Weighted residual factors for all reflections included in the refinement: 0.2295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No