Information card for entry 7029996

Structure parameters

• Formula: C52 H52 N12 O4 S4 Zn2
• Calculated formula: C52 H52 N12 O4 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: 8.9413 ± 0.0003 Å
• b: 12.1646 ± 0.0004 Å
• c: 13.634 ± 0.0005 Å
• α: 65.614 ± 0.002°
• β: 76.57 ± 0.002°
• γ: 70.636 ± 0.002°
• Cell volume: 1266.36 ± 0.08 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: 0.0691
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No