Information card for entry 7234969

Structure parameters

• Formula: C26 H28 Fe N6 S2
• Calculated formula: C26 H28 Fe N6 S2
• Title of publication: Thermodynamically stable and metastable coordination polymers synthesized from solution and the solid state
• Authors of publication: Neumann, Tristan; Gallo, Gianpiero; Jess, Inke; Dinnebier, Robert E.; Näther, Christian
• Journal of publication: CrystEngComm
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 2
• Pages of publication: 184 - 194
• a: 27.693 ± 0.003 Å
• b: 27.693 ± 0.003 Å
• c: 11.1885 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7430.9 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1073
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1526
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No