Information card for entry 7043385

Structure parameters

• Formula: C30 H24 Ag Br7 N6 Ni Pb2
• Calculated formula: C30 H24 Ag Br7 N6 Ni Pb2
• Title of publication: Comparison Studies of Hybrid Lead Halide [MPb2X7]2‒ (M = Cu, Ag; X = Br, I) Chains: Band Structures and Visible Light Driven Photocatalytic Properties
• Authors of publication: Yue, Cheng-Yang; Lei, Xiao-Wu; Lu, Xinxiu; Li, Yan; Wei, Jun-Chao; Wang, Wei; Yin, Yun-Dong; Wang, Ning
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 12.6772 ± 0.0019 Å
• b: 13.165 ± 0.002 Å
• c: 24.569 ± 0.004 Å
• α: 90°
• β: 108.433 ± 0.007°
• γ: 90°
• Cell volume: 3890.1 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0736
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No