Information card for entry 7240862

Structure parameters

• Formula: C34 H42 Cl N9 O9
• Calculated formula: C34 H42 Cl N9 O9
• 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: 12.625 ± 0.002 Å
• b: 32.16 ± 0.006 Å
• c: 9.2409 ± 0.0017 Å
• α: 90°
• β: 95.599 ± 0.004°
• γ: 90°
• Cell volume: 3734.1 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.1483
• Residual factor for significantly intense reflections: 0.0946
• Weighted residual factors for significantly intense reflections: 0.1537
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No