Information card for entry 7714706

Structure parameters

• Chemical name: Hexakis(dimethylpropyleneurea)calcium(II)perchlorate
• Formula: C36 H72 Ca Cl2 N12 O14
• Calculated formula: C36 H72 Ca Cl2 N12 O14
• 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: 13.083 ± 0.003 Å
• b: 13.083 ± 0.003 Å
• c: 8.553 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1267.8 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No