Information card for entry 7024371

Structure parameters

• Formula: C49 H45.5 Cd2 N12.5 S4
• Calculated formula: C49 H45.5 Cd2 N12.5 S4
• Title of publication: A double-stranded dinuclear cadmium(II) helicate that assembles into chains in the solid state.
• Authors of publication: Martínez-Calvo, Miguel; González-Noya, Ana M; Pedrido, Rosa; Romero, María J; Fernández, M Isabel; Zaragoza, Guillermo; Bermejo, Manuel R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 5
• Pages of publication: 1191 - 1194
• a: 12.9413 ± 0.0005 Å
• b: 13.3757 ± 0.0004 Å
• c: 14.5468 ± 0.0005 Å
• α: 85.181 ± 0.002°
• β: 76.73 ± 0.002°
• γ: 86.916 ± 0.002°
• Cell volume: 2440.59 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No