Information card for entry 4516316

Structure parameters

• Formula: C40 H42 Cl2 N12 Ni2 O16
• Calculated formula: C40 H42 Cl2 N12 Ni2 O16
• Title of publication: Chiral Recognition between Metallohelicates via Strong H Bonds: Homochiral Bishelical Coupling and Mesohelical Polymerization
• Authors of publication: Sanmartín-Matalobos, Jesús; Portela-García, Cristina; Fondo, Matilde; García-Deibe, Ana M.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 9
• Pages of publication: 4318
• a: 13.004 ± 0.003 Å
• b: 14.526 ± 0.003 Å
• c: 15.719 ± 0.003 Å
• α: 96.334 ± 0.011°
• β: 111.829 ± 0.01°
• γ: 112.19 ± 0.01°
• Cell volume: 2441.2 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.123
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1617
• Weighted residual factors for all reflections included in the refinement: 0.193
• 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: Yes
• Has Fobs: No