Information card for entry 7012619

Structure parameters

• Common name: Cu3LI3
• Formula: C12 H14 Cu3 I3 N4 S
• Calculated formula: C12 H14 Cu3 I3 N4 S
• Title of publication: Banded ribbons of Cu6I6 hexamers and multimodal thioether pyrazine ligands linked by self-complementary N⋯H‒C synthons
• Authors of publication: Amoore, Jarrod J. M.; Hanton, Lyall R.; Spicer, Mark D.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 6
• Pages of publication: 1056
• a: 8.3841 ± 0.0002 Å
• b: 9.2406 ± 0.0002 Å
• c: 13.799 ± 0.0004 Å
• α: 87.937 ± 0.001°
• β: 86.209 ± 0.001°
• γ: 67.204 ± 0.001°
• Cell volume: 983.34 ± 0.04 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0446
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No