Information card for entry 7101940

Structure parameters

• Formula: C44 H66 N16 Ni2 O21
• Calculated formula: C44 H66 N16 Ni2 O21
• Title of publication: Unprecedented interweaving of single-helical and unequal double-helical chains into chiral metal-organic open frameworks with multiwalled tubular structures.
• Authors of publication: Wang, Su-Na; Xing, Hang; Li, Yi-Zhi; Bai, Junfeng; Scheer, Manfred; Pan, Yi; You, Xiao-Zeng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 22
• Pages of publication: 2293 - 2295
• a: 12.5611 ± 0.0004 Å
• b: 12.5611 ± 0.0004 Å
• c: 62.471 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8536.2 ± 0.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 179
• Hermann-Mauguin space group symbol: P 65 2 2
• Hall space group symbol: P 65 2 (0 0 1)
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No