Information card for entry 7122682

Structure parameters

• Formula: C30 H18 Fe N6 S2
• Calculated formula: C30 H18 Fe N6 S2
• Title of publication: Molecular tectonics: from a rigid achiral organic tecton to 3D chiral Co and Fe coordination networks” that I propose for publication in Chemical Communications
• Authors of publication: Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 18.3693 ± 0.0008 Å
• b: 18.3693 ± 0.0008 Å
• c: 15.2441 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4454.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No