Information card for entry 7049992

Structure parameters

• Formula: C112 H92 Cl16 F12 N20 Ni5 O8 P2 S4
• Calculated formula: C112 H92 Cl16 F12 N20 Ni5 O8 P2 S4
• Title of publication: Ligand Effects on the Structure, Mixed-valence Sites and Magnetic Properties of Novel Pentanickel String Complexes
• Authors of publication: Chiu, Cheng-Chang; Lee, Gene-Hsiang; Lin, Tien-Sung; Peng, Shie-Ming
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 14.6531 ± 0.0005 Å
• b: 18.6083 ± 0.0006 Å
• c: 23.8981 ± 0.0006 Å
• α: 86.3807 ± 0.001°
• β: 88.3058 ± 0.001°
• γ: 71.2244 ± 0.0011°
• Cell volume: 6156.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No