Information card for entry 7217023

Structure parameters

• Formula: C38 H39 N4 Ni O8.5 P2 S4
• Calculated formula: C38 H39 N4 Ni O8.5 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: 9.6133 ± 0.0002 Å
• b: 45.6542 ± 0.0012 Å
• c: 10.5801 ± 0.0003 Å
• α: 90°
• β: 113.202 ± 0.001°
• γ: 90°
• Cell volume: 4267.92 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0894
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No