Information card for entry 7710218

Structure parameters

• Common name: 12
• Formula: C58.5 H40.5 Cl7.5 Hg2 N2 P2 Si2 Zn
• Calculated formula: C58.5 H40.5 Cl7.5 Hg2 N2 P2 Si2 Zn
• Title of publication: Phosphorus or nitrogen – the first phosphatriptycene in coordination polymer chemistry
• Authors of publication: Gildenast, Hans; Gruszien, Lukas; Friedt, Felix; Englert, Ulli
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 12.633 ± 0.0015 Å
• b: 13.5711 ± 0.0016 Å
• c: 18.252 ± 0.003 Å
• α: 103.273 ± 0.002°
• β: 108.51 ± 0.002°
• γ: 92.932 ± 0.002°
• Cell volume: 2861.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0939
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No