Information card for entry 4518235

Structure parameters

• Formula: C36 H84 F18 N8 O8 P3 Pd Pt2
• Calculated formula: C36 H84 F18 N8 O8 P3 Pd Pt2
• Title of publication: Modulation of Band Gaps toward Varying Conductivities in Heterometallic One-Dimensional Chains by Ligand Alteration and Third Metal Insertion
• Authors of publication: Uemura, Kazuhiro; Ito, Daiki; Pirillo, Jenny; Hijikata, Yuh; Saeki, Akinori
• Journal of publication: ACS Omega
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 47
• Pages of publication: 30502 - 30518
• a: 30.731 ± 0.013 Å
• b: 11.615 ± 0.004 Å
• c: 22.369 ± 0.01 Å
• α: 90°
• β: 128.996 ± 0.005°
• γ: 90°
• Cell volume: 6205 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1027
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1533
• Weighted residual factors for all reflections included in the refinement: 0.1729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No