Information card for entry 7023811

Structure parameters

• Formula: C30 H60 F12 Fe N24 Sb2
• Calculated formula: C30 H60 F12 Fe N24 Sb2
• Title of publication: Effect of the counter-anion on the spin-transition properties of a family of Fe(ii) tetrazole complexes, [Fe(i4tz)6]X2 (X = ClO4(-), PF6(-), SbF6(-), BF4(-)).
• Authors of publication: Tafili-Kryeziu, Myrvete; Weil, Matthias; Muranaka, Takahiro; Bousseksou, Azzedine; Hasegawa, Miki; Jun, Akimitsu; Linert, Wolfgang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 44
• Pages of publication: 15796 - 15804
• a: 11.1966 ± 0.0009 Å
• b: 18.472 ± 0.0017 Å
• c: 19.6593 ± 0.0018 Å
• α: 76.912 ± 0.004°
• β: 86.891 ± 0.004°
• γ: 80.92 ± 0.004°
• Cell volume: 3910 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.116
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.1762
• Weighted residual factors for all reflections included in the refinement: 0.2001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No