Information card for entry 7203323

Structure parameters

• Formula: C10 H10 Cl10 Cu3 N2
• Calculated formula: C10 H10 Cl10 Cu3 N2
• SMILES: c1c(cc[nH+]c1)Cl.[Cu]12([Cl][Cu]([Cl]1)(Cl)Cl)[Cl][Cu]([Cl]2)(Cl)Cl.c1cc(cc[nH+]1)Cl
• Title of publication: Unexpected structural homologies involving hydrogen-bonded and halogen-bonded networks in halopyridinium halometallate salts
• Authors of publication: Fiorenzo Zordan; Guillermo Mínguez Espallargas; Lee Brammer
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 5
• Pages of publication: 425
• a: 3.8783 ± 0.0009 Å
• b: 11.217 ± 0.003 Å
• c: 12.564 ± 0.003 Å
• α: 103.511 ± 0.004°
• β: 93.34 ± 0.005°
• γ: 99.507 ± 0.004°
• Cell volume: 521.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0822
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1985
• Weighted residual factors for all reflections included in the refinement: 0.2084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No