Information card for entry 7134464

Structure parameters

• Formula: C30 H60 Ca N P2 Si2
• Calculated formula: C30 H60 Ca N 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: 12.4016 ± 0.0002 Å
• b: 14.4612 ± 0.0002 Å
• c: 20.6761 ± 0.0003 Å
• α: 90°
• β: 94.648 ± 0.001°
• γ: 90°
• Cell volume: 3695.9 ± 0.1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• 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: 0.0479
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No