Information card for entry 7049996

Structure parameters

• Chemical name: ic18032
• Formula: C91 H83 Cl8 F6 N20 Ni5 O8 P S4
• Calculated formula: C91 H83 Cl8 F6 N20 Ni5 O8 P 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: 16.2704 ± 0.0005 Å
• b: 37.9133 ± 0.0011 Å
• c: 16.4754 ± 0.0005 Å
• α: 90°
• β: 104.914 ± 0.0008°
• γ: 90°
• Cell volume: 9820.7 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1095
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1545
• Weighted residual factors for all reflections included in the refinement: 0.1717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No