Information card for entry 7029997

Structure parameters

• Formula: C56 H64 Cd2 N16 O12 S8
• Calculated formula: C56 H64 Cd2 N16 O12 S8
• Title of publication: Metal self-recognition: a pathway to control the formation of dihelicates and mesocates.
• Authors of publication: Martínez-Calvo, Miguel; Romero, María J; Pedrido, Rosa; González-Noya, Ana M; Zaragoza, Guillermo; Bermejo, Manuel R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 43
• Pages of publication: 13395 - 13404
• a: 30.0597 ± 0.0013 Å
• b: 8.3317 ± 0.0004 Å
• c: 27.4037 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6863.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No