Information card for entry 7217024

Structure parameters

• Formula: C42 H46 N4 Ni O8 P2 S4
• Calculated formula: C42 H46 N4 Ni O8 P2 S4
• Title of publication: Stereospecific generation of homochiral helices in coordination polymers built from enantiopure binaphthyl-based ligands
• Authors of publication: Crespo Alonso, M.; Arca, M.; Isaia, F.; Lai, R.; Lippolis, V.; Callear, S. K.; Caricato, M.; Pasini, D.; Coles, S. J.; Aragoni, M. C.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 36
• Pages of publication: 8582
• a: 15.332 ± 0.002 Å
• b: 8.6055 ± 0.001 Å
• c: 34.795 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4590.8 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.2125
• Residual factor for significantly intense reflections: 0.1495
• Weighted residual factors for significantly intense reflections: 0.2815
• Weighted residual factors for all reflections included in the refinement: 0.3147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No