Information card for entry 7710409

Structure parameters

• Formula: C6 H22 Cd2 N4 O12 P6
• Calculated formula: C6 H22 Cd2 N4 O12 P6
• Title of publication: Structural, magnetic and photoluminescence properties of new hybrid hypophosphites: discovery of the first noncentrosymmetric and two cobalt-based members
• Authors of publication: Mączka, Mirosław; Gągor, Anna; Stefańska, Dagmara; Zaręba, Jan K.; Pikul, Adam
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 9.8832 ± 0.0003 Å
• b: 12.8778 ± 0.0003 Å
• c: 18.6407 ± 0.0007 Å
• α: 90°
• β: 92.082 ± 0.003°
• γ: 90°
• Cell volume: 2370.91 ± 0.13 ų
• Cell temperature: 297.5 ± 0.8 K
• Ambient diffraction temperature: 297.5 ± 0.8 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: 0.0355
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No