Information card for entry 7009275

Structure parameters

• Formula: C48 H36 B F4 N13 O5.5 Pd2
• Calculated formula: C48 H36 B F4 N13 O5.5 Pd2
• SMILES: [Pd]123[n]4c(c5n2[n]([Pd]2([n]6ccccc6c6[n]2n1cc6)[n]1n(ccc1c1ncccc1)Cc1cccc(c2cc(Cn6nc(c7[n]3cccc7)cc6)ccc2)c1)cc5)cccc4.[B](F)(F)(F)[F-].N#CC.O.O.O.O.O.O
• Title of publication: Effects of metal co-ordination geometry on self-assembly: a dinuclear double helicate complex and a tetranuclear cage complex of a new bis-bidentate bridging ligand
• Authors of publication: Paul, Rowena L.; Couchman, Samantha M.; Jeffery, John C.; McCleverty, Jon A.; Reeves, Zoe R.; Ward, Michael D.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 6
• Pages of publication: 845
• a: 35.916 ± 0.011 Å
• b: 14.059 ± 0.004 Å
• c: 26.247 ± 0.007 Å
• α: 90°
• β: 120.314 ± 0.007°
• γ: 90°
• Cell volume: 11441 ± 6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2306
• Residual factor for significantly intense reflections: 0.1696
• Weighted residual factors for significantly intense reflections: 0.4155
• Weighted residual factors for all reflections included in the refinement: 0.444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.439
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No