Information card for entry 1543354

Structure parameters

• Formula: C60 H108 N42 O22 Pd6
• Calculated formula: C60 H108 N42 O22 Pd6
• SMILES: n1[n]2[Pd]3(n4c5n[n]([Pd]6([n]7nn8[Pd]9(n(n2)c1c1cccc(c2nn%10[Pd]%11(n%12c(n[n]([Pd]%13([n]%14nn([Pd]%15([N](C)(C)CC[N]%15(C)C)[n]2n%10)nc%14c2cccc(c7n8)c2)[N](C)(C)CC[N]%13(C)C)n%12)c2cc5ccc2)[N](C)(C)CC[N]%11(C)C)c1)[N](C)(CC[N]9(C)C)C)[N](C)(C)CC[N]6(C)C)n4)[N](CC[N]3(C)C)(C)C.N(=O)(=O)[O-].O=N(=O)[O-].O=N(=O)[O-].O=N(=O)[O-].O.O.O=N(=O)[O-].N(=O)(=O)[O-].O.O
• Title of publication: Face and edge directed self-assembly of Pd12tetrahedral nano-cages and their self-sorting
• Authors of publication: Howlader, Prodip; Mukherjee, Partha Sarathi
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 9
• Pages of publication: 5893
• a: 18.5319 ± 0.0014 Å
• b: 22.2301 ± 0.0018 Å
• c: 28.691 ± 0.002 Å
• α: 90°
• β: 95.243 ± 0.002°
• γ: 90°
• Cell volume: 11770.3 ± 1.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.2335
• Weighted residual factors for all reflections included in the refinement: 0.2452
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No