Information card for entry 7135674

Structure parameters

• Formula: C54 H38 Cu2 F4 N2 O8
• Calculated formula: C54 H38 Cu2 F4 N2 O8
• Title of publication: Solvent- and heat-induced polymorphic transformation with single-crystal integrity in Cu(II) paddle wheel metal complexes.
• Authors of publication: Bolla, Geetha; Medishetty, Raghavender
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 24
• Pages of publication: 6531 - 6535
• a: 10.1882 ± 0.0004 Å
• b: 16.7531 ± 0.0008 Å
• c: 16.8987 ± 0.0008 Å
• α: 60.751 ± 0.002°
• β: 72.72 ± 0.002°
• γ: 74.193 ± 0.002°
• Cell volume: 2374.81 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.98 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No