Information card for entry 7707921

Structure parameters

• Formula: C32.17 H40.34 B2 Fe N10 O4
• Calculated formula: C32.172 H40.344 B2 Fe N10 O4
• Title of publication: Auxiliary alkyl chain modulated spin crossover behaviour of [Fe(H₂Bpz₂)₂(C_<i>n</i>-bipy)] complexes.
• Authors of publication: Guo, Yunnan; Rotaru, Aurelian; Müller-Bunz, Helge; Morgan, Grace G.; Zhang, Shishen; Xue, Shufang; Garcia, Yann
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 37
• Pages of publication: 12835 - 12842
• a: 29.3326 ± 0.0003 Å
• b: 14.4529 ± 0.0002 Å
• c: 16.441 ± 0.0002 Å
• α: 90°
• β: 98.9041 ± 0.0008°
• γ: 90°
• Cell volume: 6886.02 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0377
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No