Information card for entry 7029993

Structure parameters

• Formula: C32 H44 N12 S4 Zn2
• Calculated formula: C32 H44 N12 S4 Zn2
• 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: 10.6969 ± 0.0004 Å
• b: 14.6726 ± 0.0005 Å
• c: 11.8716 ± 0.0004 Å
• α: 90°
• β: 90.68 ± 0.001°
• γ: 90°
• Cell volume: 1863.13 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No