Information card for entry 4348869

Structure parameters

• Formula: C12 H34 Cl8 Fe4 N4 O21
• Calculated formula: C12 H32 Cl8 Fe4 N4 O21
• Title of publication: Selective Guest Inclusion in Oxalate-Based Iron(III) Magnetic Coordination Polymers.
• Authors of publication: Mastropietro, Teresa F.; Marino, Nadia; Munno, Giovanni De; Lloret, Francesc; Julve, Miguel; Pardo, Emilio; Armentano, Donatella
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 21
• Pages of publication: 11160 - 11169
• a: 10.7832 ± 0.0007 Å
• b: 13.9135 ± 0.001 Å
• c: 13.0578 ± 0.0009 Å
• α: 90°
• β: 104.06 ± 0.003°
• γ: 90°
• Cell volume: 1900.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No