Information card for entry 7251441

Structure parameters

• Formula: C18 H16 N2 O8
• Calculated formula: C18 H16 N2 O8
• Title of publication: Conformational preferences of diimide-based dicarboxylate species and their coordination polymers
• Authors of publication: Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R.
• Journal of publication: CrystEngComm
• Year of publication: 2026
• Journal volume: 28
• Journal issue: 3
• Pages of publication: 736 - 747
• a: 5.7316 ± 0.0002 Å
• b: 6.1988 ± 0.0002 Å
• c: 12.473 ± 0.0005 Å
• α: 85.726 ± 0.003°
• β: 80.66 ± 0.003°
• γ: 81.607 ± 0.003°
• Cell volume: 432.01 ± 0.03 ų
• Cell temperature: 122.99 ± 0.1 K
• Ambient diffraction temperature: 122.99 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No