Information card for entry 1558112

Structure parameters

• Formula: C59.5 H56.5 Cd2 N7.5 O11.5
• Calculated formula: C59.5 H56.5 Cd2 N7.5 O11.5
• Title of publication: Syntheses and Crystal Structures of Two Cadmium Methanetetrabenzoates Featured by Open Framework and Infinite Layers
• Authors of publication: Harms, Sven; Köferstein, Roberto; Görls, Helmar; Robl, Christian
• Journal of publication: Zeitschrift für anorganische und allgemeine Chemie
• Year of publication: 2019
• Journal volume: 645
• Journal issue: 14
• Pages of publication: 912
• a: 12.2484 ± 0.0004 Å
• b: 14.1885 ± 0.0005 Å
• c: 20.3349 ± 0.0004 Å
• α: 85.831 ± 0.002°
• β: 88.351 ± 0.002°
• γ: 68.261 ± 0.001°
• Cell volume: 3273.91 ± 0.17 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.1191
• Residual factor for significantly intense reflections: 0.0918
• Weighted residual factors for significantly intense reflections: 0.2408
• Weighted residual factors for all reflections included in the refinement: 0.2633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No