Information card for entry 4308366

Structure parameters

• Formula: C49 H86 N4 O9 P4 Pd4
• Calculated formula: C49 H84 N4 O9 P4 Pd4
• SMILES: [Pd]12(Oc3c(O1)[n]([Pd]1(Oc4c(O1)[n]([Pd]1(Oc5c(O1)[n]([Pd]1(Oc6c(O1)[n]2ccc6)[P](CC)(CC)CC)ccc5)[P](CC)(CC)CC)ccc4)[P](CC)(CC)CC)ccc3)[P](CC)(CC)CC.O.CCCCC
• Title of publication: Neutral Metallomacrocycles with Four or Ten (PEt3)Pd(II) Centers
• Authors of publication: Brasey, Thomas; Scopelliti, Rosario; Severin, Kay
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 2
• Pages of publication: 160 - 162
• a: 12.0311 ± 0.0012 Å
• b: 15.1306 ± 0.0016 Å
• c: 17.1127 ± 0.001 Å
• α: 83.932 ± 0.007°
• β: 82.51 ± 0.007°
• γ: 78.999 ± 0.009°
• Cell volume: 3021.3 ± 0.5 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1877
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No