Information card for entry 7248157

Structure parameters

• Formula: C42 H33 N14 Ni O15 Y
• Calculated formula: C42 H33 N14 Ni O15 Y
• Title of publication: Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes
• Authors of publication: Gavrikov, Andrey V.; Ilyukhin, Andrey B.
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 12
• Pages of publication: 1677 - 1682
• a: 12.6828 ± 0.0004 Å
• b: 17.3643 ± 0.0006 Å
• c: 21.4063 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4714.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No