Information card for entry 7023657

Structure parameters

• Formula: C72 H69 Cl2.67 Cu Fe I N15 O13.68
• Calculated formula: C72 H69 Cl2.66 Cu Fe I0.99 N15 O13.64
• Title of publication: Optically pure heterobimetallic helicates from self-assembly and click strategies.
• Authors of publication: Howson, Suzanne E.; Clarkson, Guy J.; Faulkner, Alan D.; Kaner, Rebecca A.; Whitmore, Michael J.; Scott, Peter
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 42
• Pages of publication: 14967 - 14981
• a: 20.5043 ± 0.0004 Å
• b: 20.5043 ± 0.0004 Å
• c: 20.5043 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8620.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.1125
• Residual factor for significantly intense reflections: 0.0876
• Weighted residual factors for significantly intense reflections: 0.2093
• Weighted residual factors for all reflections included in the refinement: 0.2242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.369
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No