Information card for entry 7121184

Structure parameters

• Chemical name: CHIRAL CAGE
• Formula: C108 H108 N12 O28 P4 Pd12
• Calculated formula: C108 H108 N12 O28 P4 Pd12
• SMILES: [N]12(P3(=O)[N]4([C@@H](C)c5ccccc5)[Pd]52[O]=C2C(O5)=[O][Pd]5([N]6(P7(=O)[N]8([C@@H](C)c9ccccc9)[Pd]96[O]=C6C(O9)=[O][Pd]9([N]%10(P%11(=O)[N]%12([C@@H](C)c%13ccccc%13)[Pd]%13%10[O]=C%10C(=[O][Pd]1(O%10)[N]3([C@@H](C)c1ccccc1)[Pd]14[O]=C3C(O1)=[O][Pd]1([N]4(P%10(=O)[N]([C@@H](C)c%14ccccc%14)([Pd]%144[O]=C4C(O%14)=[O][Pd]8(O4)[N]57[C@@H](C)c4ccccc4)[Pd]4([O]=C5C(O4)=[O][Pd]%12([N]9%11[C@@H](C)c4ccccc4)O5)[N]1%10[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)O3)O%13)[C@@H](C)c1ccccc1)O6)[C@@H](C)c1ccccc1)O2)[C@@H](C)c1ccccc1
• Title of publication: Imido-P(v) trianion supported enantiopure neutral tetrahedral Pd(ii) cages.
• Authors of publication: Rajasekar, Prabhakaran; Pandey, Swechchha; Paithankar, Harshad; Chugh, Jeetender; Steiner, Alexander; Boomishankar, Ramamoorthy
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 15
• Pages of publication: 1873 - 1876
• a: 28.046 Å
• b: 28.046 Å
• c: 28.046 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 22060.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 196
• Hermann-Mauguin space group symbol: F 2 3
• Hall space group symbol: F 2 2 3
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1316
• 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: No
• Has Fobs: No