Information card for entry 7007521

Structure parameters

• Formula: C82 H90 Cl2 N4 Ni O11
• Calculated formula: C82 H76 Cl2 N4 Ni O11
• Title of publication: Homochiral porous solids based on 1D coordination polymers built from 46-membered macrocycles.
• Authors of publication: Wu, Chuan-De; Lin, Wenbin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 38
• Pages of publication: 4563 - 4569
• a: 18.6823 ± 0.0008 Å
• b: 18.6823 ± 0.0008 Å
• c: 25.475 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7700.3 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for significantly intense reflections: 0.1121
• Weighted residual factors for significantly intense reflections: 0.2633
• Weighted residual factors for all reflections included in the refinement: 0.2933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No