Information card for entry 7212472

Structure parameters

• Formula: C112 H152 Gd2 N4 O59 P2 S8
• Calculated formula: C112 H152 Gd2 N4 O59 P2 S8
• Title of publication: Lanthanoid assisted self-assembly of imidazolium cations in organic bi-layers
• Authors of publication: Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 1869
• a: 12.7621 ± 0.0004 Å
• b: 15.4557 ± 0.0005 Å
• c: 19.2632 ± 0.0006 Å
• α: 106.004 ± 0.003°
• β: 93.474 ± 0.003°
• γ: 112.632 ± 0.003°
• Cell volume: 3311.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1436
• Weighted residual factors for all reflections included in the refinement: 0.1571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No