Information card for entry 7112842

Structure parameters

• Formula: C54 H58 Cu2 N10 O14
• Calculated formula: C54 H58 Cu2 N10 O14
• Title of publication: The coordination preferences of metal centres modulate superexchange coupling interactions in a metallo-supramolecular helical assembly.
• Authors of publication: Pedrido, Rosa; Vázquez López, Miguel; Sorace, Lorenzo; González-Noya, Ana M; Cwiklinska, Magdalena; Suárez-Gómez, Vanesa; Zaragoza, Guillermo; Bermejo, Manuel R.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 26
• Pages of publication: 4797 - 4799
• a: 13.648 ± 0.003 Å
• b: 14.042 ± 0.003 Å
• c: 16.315 ± 0.004 Å
• α: 106.876 ± 0.004°
• β: 111.615 ± 0.004°
• γ: 97.038 ± 0.004°
• Cell volume: 2687.5 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.177
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.1669
• Weighted residual factors for all reflections included in the refinement: 0.2282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No