Information card for entry 7055002

Structure parameters

• Formula: C48 H48 I12 N6 O0 Pb3
• Calculated formula: C48 H48 I12 N6 Pb3
• SMILES: [Pb]1234([I][Pb]([I]1)([I]2)(I)(I)I)[I][Pb]([I]3)([I]4)(I)(I)I.[n+]1(ccccc1)Cc1cc(C[n+]2ccccc2)cc(c1)C[n+]1ccccc1.c1cccc[n+]1Cc1cc(cc(c1)C[n+]1ccccc1)C[n+]1ccccc1
• Title of publication: Crystal structures and photocatalytic properties of two novel iodoplumbate hybrids templated by multivalent organic cations
• Authors of publication: Wang, Chao-Hai; Du, Hai-Juan; Li, Yao; Niu, Yun-Yin; Hou, Hong-Wei
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 9
• Pages of publication: 7372
• a: 11.14 ± 0.005 Å
• b: 23.478 ± 0.01 Å
• c: 13.342 ± 0.006 Å
• α: 90°
• β: 92.663 ± 0.005°
• γ: 90°
• Cell volume: 3486 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No