Information card for entry 4303839

Structure parameters

• Formula: C52 H56.5 Ca I2 N10 O1.25
• Calculated formula: C52 H56 Ca I2 N10 O1.25
• Title of publication: Asymmetric Twisting and Chirality Probing Properties of Quadruple-Stranded Helicates: Coordination Versatility and Chirality Response of Na+, Ca2+, and La3+ Complexes with Octadentate Cyclen Ligand
• Authors of publication: Hitomi Misaki; Hiroyuki Miyake; Satoshi Shinoda; Hiroshi Tsukube
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11921 - 11928
• a: 11.4679 ± 0.0014 Å
• b: 13.0339 ± 0.001 Å
• c: 18.5389 ± 0.0019 Å
• α: 73.265 ± 0.007°
• β: 87.969 ± 0.008°
• γ: 73.113 ± 0.007°
• Cell volume: 2535.7 ± 0.5 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: 0.0554
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No