Information card for entry 4518642

Structure parameters

• Formula: C15 H6 Ag3 Br2 Cl2 Fe N7
• Calculated formula: C15 H6 Ag3 Br2 Cl2 Fe N7
• Title of publication: A New Systematic Construction of Novel Three-Dimensional Spin Crossover Coordination Polymers Based on the [AgI2(CN)3] Building Unit
• Authors of publication: Kosone, Takashi; Okuda, Syogo; Kawata, Masaya; Arai, Shunsuke; Kosuge, Ryota; Kawasaki, Takeshi
• Journal of publication: ACS Omega
• Year of publication: 2021
• a: 12.4285 ± 0.0011 Å
• b: 13.1096 ± 0.0011 Å
• c: 13.663 ± 0.0012 Å
• α: 90°
• β: 100.204 ± 0.001°
• γ: 90°
• Cell volume: 2190.9 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• 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: 0.0381
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No