Information card for entry 4324305

Structure parameters

• Formula: C30 H28 N10 S2 Zn
• Calculated formula: C30 H28 N10 S2 Zn
• Title of publication: Temperature-Dependent in Situ Ligand Cyclization via C=C Coupling and Formation of a Spin-Crossover Iron(II) Coordination Polymer
• Authors of publication: Feng-Lei Yang; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 911 - 917
• a: 24.799 ± 0.004 Å
• b: 9.6101 ± 0.0003 Å
• c: 16.1899 ± 0.0013 Å
• α: 90°
• β: 126.901 ± 0.01°
• γ: 90°
• Cell volume: 3085.5 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0472
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No