Information card for entry 7200378

Structure parameters

• Formula: C72 H102 Ag6 F36 N6 P6 S12
• Calculated formula: C72 H102 Ag6 F36 N6 P6 S12
• SMILES: c12CS34[Ag]5([NH](CC[S]5Cc1cccc2)CC3)S12Cc3c(C[S]5CC[NH](CC1)[Ag]25S12Cc5c(C[S]6CC[NH](CC1)[Ag]26S12Cc6c(C[S]7CC[NH](CC1)[Ag]27S12Cc7c(C[S]8CC[NH](CC1)[Ag]28S12Cc8c(C[S]9CC[NH](CC1)[Ag]429)cccc8)cccc7)cccc6)cccc5)cccc3.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Molecular botanical garden: assembly of supramolecular silver(I) and mercury(II) complexes of NS2-donor macrocycles with flower-, leaf- and tree-shaped structures
• Authors of publication: Park, Sunhong; Lee, So Young; Jo, Minhye; Lee, Jai Young; Lee, Shim Sung
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 43
• a: 36.322 ± 0.003 Å
• b: 36.322 ± 0.003 Å
• c: 36.322 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 47919 ± 7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 230
• Hermann-Mauguin space group symbol: I a -3 d
• Hall space group symbol: -I 4bd 2c 3
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No