Information card for entry 7111840

Structure parameters

• Common name: tetraCadmium(II) heptakis-7,7,8,8-tetracyanoquinodimethane tetraaqua
• Formula: C42 H18 Cd2 N14 O2
• Calculated formula: C42 H18 Cd2 N14 O2
• Title of publication: A cadmium TCNQ-based semiconductor with versatile binding modes and non-integer redox states
• Authors of publication: Xuan Zhang; Zhongyue Zhang; Hanhua Zhao; Jiang-Gao Mao; Kim R. Dunbar
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 1429
• a: 19.061 ± 0.004 Å
• b: 12.717 ± 0.003 Å
• c: 15.548 ± 0.003 Å
• α: 90°
• β: 95.24 ± 0.03°
• γ: 90°
• Cell volume: 3753.1 ± 1.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.0523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No