Information card for entry 7005620

Structure parameters

• Formula: C100.25 H94.5 F12 N8 O18.75 P4 Pd2 S4
• Calculated formula: C100.25 H94.5 F12 N8 O18.75 P4 Pd2 S4
• Title of publication: Synthesis, structural characterization and anion binding studies of palladium macrocycles with hydrogen-bonding ligands.
• Authors of publication: Diaz, Pilar; Tovilla, Jorge A.; Ballester, Pablo; Benet-Buchholz, Jordi; Vilar, Ramón
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 32
• Pages of publication: 3516 - 3525
• a: 15.8443 ± 0.0007 Å
• b: 18.8383 ± 0.0009 Å
• c: 20.6983 ± 0.0008 Å
• α: 95.68 ± 0.002°
• β: 94.482 ± 0.002°
• γ: 104.57 ± 0.002°
• Cell volume: 5915.8 ± 0.5 ų
• Cell temperature: 153 ± 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: 0.1796
• Residual factor for significantly intense reflections: 0.0841
• Weighted residual factors for significantly intense reflections: 0.2237
• Weighted residual factors for all reflections included in the refinement: 0.269
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No