Information card for entry 7006164

Structure parameters

• Formula: C24 H40 Cl2 Fe N32 O8
• Calculated formula: C24 H40 Cl2 Fe N32 O8
• Title of publication: [Fe(mu-btzmp)2(btzmp)2](ClO4)2: a doubly-bridged 1D spin-transition bistetrazole-based polymer showing thermal hysteresis behaviour.
• Authors of publication: Quesada, Manuel; Kooijman, Huub; Gamez, Patrick; Sánchez Costa, José; van Koningsbruggen, Petra J.; Weinberger, Peter; Reissner, Michael; Spek, Anthony L.; Haasnoot, Jaap G.; Reedijk, Jan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 46
• Pages of publication: 5434 - 5440
• a: 8.5157 ± 0.0015 Å
• b: 11.1223 ± 0.0018 Å
• c: 12.432 ± 0.002 Å
• α: 79.24 ± 0.02°
• β: 78.96 ± 0.02°
• γ: 74.62 ± 0.04°
• Cell volume: 1102.8 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1035
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No