Information card for entry 7037086

Structure parameters

• Formula: C46 H92 Cu2 Li4 N6 O2 S2
• Calculated formula: C46 H92 Cu2 Li4 N6 O2 S2
• Title of publication: Extending motifs in lithiocuprate chemistry: unexpected structural diversity in thiocyanate complexes.
• Authors of publication: Peel, Andrew J.; Hedidi, Madani; Bentabed-Ababsa, Ghenia; Roisnel, Thierry; Mongin, Florence; Wheatley, Andrew E. H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 6094 - 6104
• a: 16.1549 ± 0.0005 Å
• b: 11.4981 ± 0.0003 Å
• c: 15.265 ± 0.0005 Å
• α: 90°
• β: 98.687 ± 0.002°
• γ: 90°
• Cell volume: 2802.96 ± 0.15 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No