Information card for entry 4345850

Structure parameters

• Formula: C120 H144 N48 O24 Pd8
• Calculated formula: C120 H144 N48 O24 Pd8
• SMILES: c1cc2cc[n]1[Pd]1([n]3ccc(N4c5ccc(cc5)N5c6cc[n](cc6)[Pd]6([n]7ccc(N8c9ccc(cc9)N(c9cc[n](cc9)[Pd]9([n]%10ccc(N%11c%12ccc(cc%12)N(c%12cc[n](cc%12)[Pd]%12([n]%13ccc(N(c%14ccc(cc%14)N2c2cc[n](cc2)[Pd]2([NH2]CC[NH2]2)[n]2ccc%11cc2)c2cc[n](cc2)[Pd]2([n]%11ccc5cc%11)[NH2]CC[NH2]2)cc%13)[NH2]CC[NH2]%12)c2cc[n]([Pd]5([NH2]CC[NH2]5)[n]5ccc8cc5)cc2)cc%10)[NH2]CC[NH2]9)c2cc[n](cc2)[Pd]2([NH2]CC[NH2]2)[n]2ccc4cc2)cc7)[NH2]CC[NH2]6)cc3)[NH2]CC[NH2]1.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Water-Soluble Pd8L4 Self-assembled Molecular Barrel as an Aqueous Carrier for Hydrophobic Curcumin.
• Authors of publication: Bhat, Imtiyaz Ahmad; Jain, Ruchi; Siddiqui, Mujahuddin M.; Saini, Deepak K.; Mukherjee, Partha Sarathi
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 9
• Pages of publication: 5352 - 5360
• a: 19.054 ± 0.007 Å
• b: 19.054 ± 0.007 Å
• c: 32.418 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11770 ± 8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.2132
• Weighted residual factors for all reflections included in the refinement: 0.2495
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No