Information card for entry 7005621

Structure parameters

• Formula: C99 H86 Cl2 F12 Fe2 N8 O17 P4 Pd2 S4
• Calculated formula: C99 H86 Cl2 F12 Fe2 N8 O17 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: 15.828 ± 0.003 Å
• b: 16.901 ± 0.003 Å
• c: 20.704 ± 0.004 Å
• α: 71.936 ± 0.004°
• β: 86.141 ± 0.004°
• γ: 87.923 ± 0.004°
• Cell volume: 5252.9 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1402
• Residual factor for significantly intense reflections: 0.0973
• Weighted residual factors for significantly intense reflections: 0.2504
• Weighted residual factors for all reflections included in the refinement: 0.2967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No