Information card for entry 7714705

Structure parameters

• Formula: C38 H72 Ca F6 N12 O12 S2
• Calculated formula: C38 H72 Ca F6 N12 O12 S2
• Title of publication: Coordination chemistry effects of the space-demanding solvent molecule <i>N</i>,<i>N</i>'-dimethylpropyleneurea.
• Authors of publication: Lundberg, Daniel; Lindqvist-Reis, Patric; Łyczko, Krzysztof; Eriksson, Lars; Persson, Ingmar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 1817 - 1832
• a: 13.532 ± 0.002 Å
• b: 13.532 ± 0.002 Å
• c: 8.7287 ± 0.0014 Å
• α: 90 ± 0.003°
• β: 90 ± 0.003°
• γ: 120 ± 0.003°
• Cell volume: 1384.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.237
• Residual factor for significantly intense reflections: 0.1299
• Weighted residual factors for significantly intense reflections: 0.3313
• Weighted residual factors for all reflections included in the refinement: 0.3683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.463
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No