Information card for entry 7239957

Structure parameters

• Formula: C30 H22 I4 N6 Ni Pb
• Calculated formula: C30 H22 I4 N6 Ni Pb
• SMILES: [Pb](I)(I)([I-])[I-].[Ni]1234([n]5c(c6[n]1c(c1[n]3cccc1)ccc6)cccc5)[n]1c(c3[n]2c(c2[n]4cccc2)ccc3)cccc1
• Title of publication: Dimensionally and Structurally Controllable Perovskite Single Crystals: Nickle(II)-Terpyridine-Complex (Ni-Tpy2) Based Perovskites
• Authors of publication: Zhang, Yongli; Zang, Meixiu; Yin, Hang; Liu, Peng; Xian, Yeming; Li, Wenzhe
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 9.1237 ± 0.0005 Å
• b: 13.4076 ± 0.0007 Å
• c: 14.8525 ± 0.0008 Å
• α: 83.392 ± 0.004°
• β: 87.801 ± 0.005°
• γ: 74.413 ± 0.005°
• Cell volume: 1738.36 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0938
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No