Information card for entry 7054273

Structure parameters

• Formula: C32 H28 N12 Pb2 S4
• Calculated formula: C32 H28 N12 Pb2 S4
• Title of publication: Anion influence on transformations of a nonporous 3D to porous 3D coordination polymer
• Authors of publication: Hashemi, Lida; Morsali, Ali; Büyükgüngor, Orhan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• a: 16.3972 ± 0.0005 Å
• b: 14.1233 ± 0.0003 Å
• c: 20.3576 ± 0.0006 Å
• α: 90°
• β: 109.2 ± 0.002°
• γ: 90°
• Cell volume: 4452.2 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• 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: 0.0774
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No