Information card for entry 4331489

Structure parameters

• Formula: C114 H116 Cu2 F12 N8 P4 Pt
• Calculated formula: C114 H110 Cu2 F12 N8 P4 Pt
• SMILES: [P](F)(F)(F)(F)(F)[F-].c1(ccccc1)C.[Pt](C#Cc1c([n]2c3c4[n](c(ccc4ccc3c1)c1c(cc(cc1C)C)C)[Cu]12[n]2cccc3ccc4ccc[n]1c4c23)c1c(cc(cc1C)C)C)(C#Cc1c([n]2c3c4[n](c(ccc4ccc3c1)c1c(cc(cc1C)C)C)[Cu]12[n]2cccc3ccc4ccc[n]1c4c23)c1c(cc(cc1C)C)C)([P](CC)(CC)CC)[P](CC)(CC)CC.[P](F)(F)(F)(F)(F)[F-].Cc1ccccc1
• Title of publication: Metal-Driven and Covalent Synthesis of Supramolecular Grids from Racks: A Convergent Approach to Heterometallic and Heteroleptic Nanostructures
• Authors of publication: Schmittel, Michael; Kalsani, Venkateshwarlu; Bats, Jan W.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 4115 - 4117
• a: 12.893 ± 0.003 Å
• b: 13.701 ± 0.003 Å
• c: 16.224 ± 0.003 Å
• α: 76.032 ± 0.017°
• β: 80.039 ± 0.017°
• γ: 73.553 ± 0.017°
• Cell volume: 2650.5 ± 1 ų
• Cell temperature: 156 ± 2 K
• Ambient diffraction temperature: 156 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1143
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1361
• 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