Information card for entry 4518236

Structure parameters

• Formula: C28 H64 F12 N8 O12 P2 Pd Pt2 Rh2
• Calculated formula: C28 H64 F12 N8 O12 P2 Pd Pt2 Rh2
• 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: 13.336 ± 0.003 Å
• b: 14.243 ± 0.003 Å
• c: 14.118 ± 0.003 Å
• α: 90°
• β: 97.164 ± 0.003°
• γ: 90°
• Cell volume: 2660.7 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• 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: 0.083
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No