Information card for entry 4312659

Structure parameters

• Formula: C42 H57 F6 Fe2 N20 P
• Calculated formula: C42 H57 F6 Fe2 N20 P
• SMILES: C1c2cnc(C)n2[Fe]2345[N]=1CCN(CC[N]2=Cc1cnc(C)n41)CC[N]3=Cc1cnc(C)n51.C1c2[n](c([nH]c2)C)[Fe]2345[N]=1CCN(CC[N]2=Cc1[n]4c([nH]c1)C)CC[N]3=Cc1[n]5c([nH]c1)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Interlayer Interaction of Two-Dimensional Layered Spin Crossover Complexes [FeIIH3LMe][FeIILMe]X (X-= ClO4-, BF4-, PF6-, AsF6-, and SbF6-; H3LMe= Tris[2-(((2-methylimidazol-4-yl)methylidene)amino)ethyl]amine)
• Authors of publication: Masahiro Yamada; Makoto Ooidemizu; Yuichi Ikuta; Shutaro Osa; Naohide Matsumoto; Seiichiro Iijima; Masaaki Kojima; Françoise Dahan; Jean-Pierre Tuchagues
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 8406 - 8416
• a: 12.3152 ± 0.0011 Å
• b: 12.3152 ± 0.0011 Å
• c: 27.424 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3602 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No