Information card for entry 7134407

Structure parameters

• Formula: C42 H29 Cd2 N3 O9
• Calculated formula: C42 H29 Cd2 N3 O9
• Title of publication: Co-ligand tuning of MOF structural anisotropy for giant optical birefringence
• Authors of publication: Povarov, Svyatoslav A.; Iukhnevich, Ekaterina D.; Alekseevskiy, Pavel V.; Pavlov, Dmitry I.; Potapov, Andrei S.; Yushina, Irina D.; Milichko, Valentin A.; Kulakova, Alena N.
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 44
• Pages of publication: 8047 - 8050
• a: 9.5832 ± 0.0008 Å
• b: 12.5689 ± 0.001 Å
• c: 16.4854 ± 0.0013 Å
• α: 68.806 ± 0.003°
• β: 87.073 ± 0.003°
• γ: 80.317 ± 0.003°
• Cell volume: 1824.9 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No