Information card for entry 1512992

Structure parameters

• Formula: C20 H22 Cl4 Cu N2 O2
• Calculated formula: C20 H22 Cl4 Cu N2 O2
• Title of publication: Exploring supramolecular interactions between inorganic tetrachlorometallate and organic pyridinium dication: Synthesis, characterization and structural investigations
• Authors of publication: Kamal Kumar Bisht; Amal Cherian Kathalikkattil; Suresh Eringathodi
• Journal of publication: Journal of Molecular Structure
• Year of publication: 2012
• Journal volume: 1013
• Journal issue: 0
• Pages of publication: 102 - 110
• a: 8.077 ± 0.0014 Å
• b: 8.6476 ± 0.0015 Å
• c: 17.209 ± 0.003 Å
• α: 99.131 ± 0.003°
• β: 101.853 ± 0.003°
• γ: 98.832 ± 0.003°
• Cell volume: 1139.7 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.1154
• Residual factor for significantly intense reflections: 0.0967
• Weighted residual factors for significantly intense reflections: 0.2111
• Weighted residual factors for all reflections included in the refinement: 0.2207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No