Information card for entry 7034477

Structure parameters

• Chemical name: [hdma]1.5(Fe5F7OwCOO)(Amtetraz)4)
• Formula: C8 H23 F7 Fe5 N21.5 O3
• Calculated formula: C8 H8 F7 Fe5 N21.5 O3
• Title of publication: New iron tetrazolate frameworks: synthesis, temperature effect, thermal behaviour, Mössbauer and magnetic studies.
• Authors of publication: Pimenta, Vanessa; Le, Quang Hoang Hanh; Clark, Lucy; Lhoste, Jérôme; Hémon-Ribaud, Annie; Leblanc, Marc; Grenèche, Jean-Marc; Dujardin, Gilles; Lightfoot, Philip; Maisonneuve, Vincent
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 17
• Pages of publication: 7951 - 7959
• a: 6.6118 ± 0.0006 Å
• b: 12.4325 ± 0.0011 Å
• c: 8.8075 ± 0.0007 Å
• α: 90°
• β: 107.723 ± 0.003°
• γ: 90°
• Cell volume: 689.63 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 10
• Hermann-Mauguin space group symbol: P 1 2/m 1
• Hall space group symbol: -P 2y
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No