Information card for entry 7134468

Structure parameters

• Formula: C28 H57 Ca N O2 P2 Si2
• Calculated formula: C28 H57 Ca N O2 P2 Si2
• Title of publication: PCP and POCOP complexes of calcium
• Authors of publication: Messori, Alessandro; Potocnik, Marcel; Belazregue, Sara; Collins, Richard; Krämer, Tobias; Chadwick, F. Mark
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 43
• Pages of publication: 7827 - 7830
• a: 14.8629 ± 0.0002 Å
• b: 19.3315 ± 0.0002 Å
• c: 25.3975 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7297.26 ± 0.15 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No