Information card for entry 7121596

Structure parameters

• Chemical name: FeTz
• Formula: C2 H5 Fe0.5 N3 O4 P
• Calculated formula: C2 H5 Fe0.5 N3 O4 P
• Title of publication: Formation of coordination polymer glass by mechanical milling: dependence on metal ions and molecular doping for H⁺ conductivity.
• Authors of publication: Ohara, Yuki; Hinokimoto, Akira; Chen, Wenqian; Kitao, Takashi; Nishiyama, Yusuke; Hong, You-Lee; Kitagawa, Susumu; Horike, Satoshi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 50
• Pages of publication: 6859 - 6862
• a: 8.603 ± 0.002 Å
• b: 9.609 ± 0.003 Å
• c: 15.328 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1267.1 ± 0.6 ų
• Cell temperature: 213.15 K
• Ambient diffraction temperature: 213.15 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No