Information card for entry 7060326

Structure parameters

• Formula: C72 H54 Cu F12 N4 O4 Sn2
• Calculated formula: C72 H54 Cu F12 N4 O4 Sn2
• Title of publication: Reactivity of a carbonyl moiety in organotin(iv) compounds: novel Pd(ii) and Cu(ii) complexes supported by organotin(iv) ligands
• Authors of publication: Someşan, Adrian-Alexandru; Silvestru, Cristian; Varga, Richard A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 8
• Pages of publication: 3817 - 3827
• a: 27.3118 ± 0.0009 Å
• b: 12.8432 ± 0.0005 Å
• c: 20.098 ± 0.0007 Å
• α: 90°
• β: 111.247 ± 0.001°
• γ: 90°
• Cell volume: 6570.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No