Information card for entry 7134409

Structure parameters

• Formula: C60 H50 Cd2 N6 O11
• Calculated formula: C60 H50 Cd2 N6 O11
• 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: 8.8208 ± 0.0004 Å
• b: 9.4521 ± 0.0006 Å
• c: 33.3336 ± 0.0017 Å
• α: 82.639 ± 0.002°
• β: 89.466 ± 0.002°
• γ: 71.506 ± 0.002°
• Cell volume: 2612.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0666
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No