Information card for entry 7111676

Structure parameters

• Formula: C81 H80 N12 O14 S3 Zn3.5
• Calculated formula: C81 H80 N12 O14 S3 Zn3.5
• Title of publication: A water reduction process performed by zinc metal under very mild conditions
• Authors of publication: Romero, María J.; Pedrido, Rosa; González-Noya, Ana M.; Martínez-Calvo, Miguel; Zaragoza, Guillermo; Bermejo, Manuel R.
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 28
• Pages of publication: 5115 - 5117
• a: 15.344 ± 0.005 Å
• b: 16.139 ± 0.005 Å
• c: 18.408 ± 0.006 Å
• α: 75.772 ± 0.005°
• β: 81.362 ± 0.005°
• γ: 70.021 ± 0.004°
• Cell volume: 4142 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0953
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No