Information card for entry 4330236

Structure parameters

• Formula: C26 H20 Br2 Fe N10 O
• Calculated formula: C26 H20 Br2 Fe N10 O
• Title of publication: Chemical/Physical Pressure Tunable Spin-Transition Temperature and Hysteresis in a Two-Step Spin Crossover Porous Coordination Framework
• Authors of publication: Jian-Bin Lin; Wei Xue; Bao-Ying Wang; Jun Tao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 9423 - 9430
• a: 8.6854 ± 0.0009 Å
• b: 14.4819 ± 0.0014 Å
• c: 10.4064 ± 0.001 Å
• α: 89.184 ± 0.008°
• β: 103.298 ± 0.008°
• γ: 89.357 ± 0.008°
• Cell volume: 1273.6 ± 0.2 ų
• Cell temperature: 136 ± 2 K
• Ambient diffraction temperature: 136 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1041
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.233
• Weighted residual factors for all reflections included in the refinement: 0.2422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No