Information card for entry 7240861

Structure parameters

• Formula: C29 H35 Cl N6 O9 S2
• Calculated formula: C29 H35 Cl N6 O9 S2
• Title of publication: Tuneable Hierarchical Self-Assembly of C3-Symmetric Triaminoguanidium-derivative into Rhombic Dodecahedral Morphology
• Authors of publication: Das, Amitava; Dey, Ananta; Maity, Arunava; Singha Mahapatra, Tufan; Suresh, Eringathodi; Mandal, Amal Kumar
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 10.3837 ± 0.0018 Å
• b: 11.2946 ± 0.0019 Å
• c: 15.743 ± 0.003 Å
• α: 88.521 ± 0.003°
• β: 89.943 ± 0.003°
• γ: 68.863 ± 0.003°
• Cell volume: 1721.5 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0909
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No