Information card for entry 7714610

Structure parameters

• Formula: C15 H42 Bi2 Br9 N9
• Calculated formula: C15 H42 Bi2 Br9 N9
• SMILES: [Bi]12([Br][Bi]([Br]1)(Br)([Br]2)(Br)Br)(Br)(Br)Br.N(C(=[NH2+])N(C)C)(C)C.[NH2+]=C(N(C)C)N(C)C.N(C(=[NH2+])N(C)C)(C)C
• Title of publication: Seeking environmentally friendly halide perovskite photocatalysts: synthesis, structure and photocatalytic performance exploration.
• Authors of publication: Hu, Cheng-An; Qin, Jian-Peng; Pan, Chun-Yang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 512 - 519
• a: 10.942 ± 0.0008 Å
• b: 12.4124 ± 0.001 Å
• c: 14.7289 ± 0.0011 Å
• α: 71.21 ± 0.003°
• β: 88.227 ± 0.003°
• γ: 85.193 ± 0.003°
• Cell volume: 1887.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 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: 0.0445
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No