Information card for entry 4309704

Structure parameters

• Formula: C5.5 H5 Cl0.5 N2 O2.02 Zn0.25
• Calculated formula: C5.5 H5 Cl0.5 N2 O2.03 Zn0.25
• Title of publication: From Diamondoid Network to (4,4) Net: Effect of Ligand Topology on the Supramolecular Structural Diversity
• Authors of publication: D. Krishna Kumar; D. Amilan Jose; Amitava Das; Parthasarathi Dastidar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 6933 - 6935
• a: 12.0544 ± 0.001 Å
• b: 12.0544 ± 0.001 Å
• c: 9.2802 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1348.5 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1776
• Weighted residual factors for all reflections included in the refinement: 0.1813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No