Information card for entry 7135673

Structure parameters

• Formula: C54 H36 Cu2 F4 N2 O8
• Calculated formula: C54 H36 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: 9.756 ± 0.0003 Å
• b: 9.7788 ± 0.0003 Å
• c: 14.3088 ± 0.0004 Å
• α: 77.562 ± 0.001°
• β: 71.656 ± 0.001°
• γ: 64.991 ± 0.001°
• Cell volume: 1168.84 ± 0.06 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: 0.0507
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No