Information card for entry 4328401

Structure parameters

• Formula: C180 H108 B8 F56 N36 Pd8
• Calculated formula: C180 H108 B8 F56 N36 Pd8
• SMILES: [B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].c1ccc2ccc3ccc[n]4c3c2[n]1[Pd]14n2c(C(F)(F)F)cc3[n]2[Pd]2([n]4cccc5ccc6ccc[n]2c6c45)[n]2n1c(cc2C(F)(F)F)c1cc2c(cc1)n(C)c1ccc(cc21)c1cc(C(F)(F)F)[n]2n1[Pd]1([n]4cccc5ccc6ccc[n]1c6c45)n1c(cc(C(F)(F)F)[n]1[Pd]21[n]4cccc5ccc6ccc[n]1c6c45)c1ccc2c(c1)c1c(n2C)ccc(c1)c1cc(C(F)(F)F)n2[n]1[Pd]1([n]4cccc5ccc6ccc[n]1c6c45)[n]1n(c(cc1C(F)(F)F)c1ccc4c(c1)c1c(n4C)ccc(c1)c1cc(C(F)(F)F)[n]4n1[Pd]1([n]5cccc6ccc7ccc[n]1c7c56)n1c(c5ccc6c(c7c(ccc3c7)n6C)c5)cc(C(F)(F)F)[n]1[Pd]41[n]3cccc4ccc5ccc[n]1c5c34)[Pd]12[n]2cccc3ccc4ccc[n]1c4c23.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Self-Assembly of [M8L4] and [M4L2] Fluorescent Metallomacrocycles with Carbazole-Based Dipyrazole Ligands
• Authors of publication: Lin Qin; Liao-Yuan Yao; Shu-Yan Yu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 2443 - 2453
• a: 18.2309 ± 0.0019 Å
• b: 18.4937 ± 0.0012 Å
• c: 21.379 ± 0.002 Å
• α: 72.034 ± 0.002°
• β: 83.197 ± 0.002°
• γ: 67.743 ± 0.003°
• Cell volume: 6345.7 ± 1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No