Information card for entry 4518237

Structure parameters

• Formula: C36 H88 F12 N8 O10 P2 Pd Pt2
• Calculated formula: C36 H88 F12 N8 O10 P2 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: 11.331 ± 0.002 Å
• b: 22.019 ± 0.005 Å
• c: 12.253 ± 0.003 Å
• α: 90°
• β: 95.145 ± 0.003°
• γ: 90°
• Cell volume: 3044.8 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No