Information card for entry 1560323

Structure parameters

• Formula: C42 H108 I26 N12 Pb7
• Calculated formula: C42 H108 I26 N12 Pb7
• SMILES: C([NH3+])C[C@H]1CCC[NH+]1C.C(C[C@H]1[NH+](CCC1)C)[NH3+].I[Pb]([I][Pb]1([I][Pb]([I][Pb](I)I)([I]1)I)I)I.[I-].[I-].[NH+]1([C@H](CCC1)CC[NH3+])C.[Pb](I)(I)([I][Pb](I)(I)I)([I][Pb](I)(I)I)([I-])[I-].C(C[C@@H]1CCC[NH+]1C)[NH3+].C(C[C@@H]1[NH+](CCC1)C)[NH3+].[I-].[I-].[NH+]1([C@H](CC[NH3+])CCC1)C
• Title of publication: The influence of stoichiometry on the structure and fluorescence of two organic‒inorganic hybrid complexes incorporating of 2-(2-aminoethyl)-1-methylpyrrolidine and lead iodide
• Authors of publication: Hao, Yanhuan; Wang, Jiawei; Wei, Zhenhong; Yu, Hui; Cai, Hu
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2017
• Journal volume: 256
• Pages of publication: 184 - 188
• a: 8.755 ± 0.01 Å
• b: 12.489 ± 0.014 Å
• c: 27.16 ± 0.03 Å
• α: 81.436 ± 0.012°
• β: 89.689 ± 0.012°
• γ: 74.665 ± 0.013°
• Cell volume: 2830 ± 6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1709
• Weighted residual factors for all reflections included in the refinement: 0.1969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No