Information card for entry 4324302

Structure parameters

• Formula: C30 H28 Fe N10 S2
• Calculated formula: C30 H28 Fe N10 S2
• 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: 19.7325 ± 0.001 Å
• b: 9.7062 ± 0.0004 Å
• c: 16.4383 ± 0.0007 Å
• α: 90°
• β: 96.432 ± 0.004°
• γ: 90°
• Cell volume: 3128.6 ± 0.2 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 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: 0.0653
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No