Information card for entry 7111002

Structure parameters

• Common name: 1
• Formula: C112 H78 Cl6 N6 O8 P6 Pb Pd2
• Calculated formula: C112 H78 Cl6 N6 O8 P6 Pb Pd2
• Title of publication: Pt(0) and Pd(0) based metallocryptands: metallophilic hosts for Pb(ii) ion
• Authors of publication: Catalano, Vincent J.; Bennett, Byron L.; Noll, Bruce C.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 15
• Pages of publication: 1413
• a: 26.665 ± 0.007 Å
• b: 14.449 ± 0.003 Å
• c: 25.967 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10005 ± 4 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 8
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No