Information card for entry 7237852

Structure parameters

• Chemical name: [Mn(1,10-Phenanthroline)2Cl0.65I0.35]2Pb2I6
• Formula: C48 H32 Cl1.29 I6.71 Mn2 N8 Pb2
• Calculated formula: C48 H32 Cl1.291 I6.709 Mn2 N8 Pb2
• Title of publication: Constructing moisture-stable hybrid lead iodine semiconductors based on hydrogen-bond-free and dual-iodine strategies
• Authors of publication: Liu, Guang-Ning; Zhao, Ruo-Yu; Xu, Rang-Dong; Liu, Qisheng; Xu, Bo; Wang, Yang-Yang; Wu, Qian; Wang, Jun-Nuan; Nie, Yong; Li, Cuncheng
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 25
• Pages of publication: 7700
• a: 12.0083 ± 0.0006 Å
• b: 15.9672 ± 0.0008 Å
• c: 16.85 ± 0.0009 Å
• α: 71.256 ± 0.005°
• β: 77.764 ± 0.004°
• γ: 68.46 ± 0.005°
• Cell volume: 2829.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0484
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No