Information card for entry 7206549

Structure parameters

• Formula: C110 H86 Cl4 Fe3 N26 O20 S2
• Calculated formula: C110 H82 Fe3 N26 O2 S2
• Title of publication: Multi-component self-assembly of molecule based materials by coordination networks and weak intermolecular synthons
• Authors of publication: Ghazzali, Mohamed; Langer, Vratislav; Larsson, Krister; Öhrström, Lars
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 19
• Pages of publication: 5813
• a: 13.2081 ± 0.0006 Å
• b: 22.073 ± 0.001 Å
• c: 18.8381 ± 0.0009 Å
• α: 90°
• β: 93.242 ± 0.001°
• γ: 90°
• Cell volume: 5483.3 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No