Information card for entry 4316369

Structure parameters

• Formula: C132 H96 F24 N16 P4 Pd4
• Calculated formula: C132 H96 F24 N16 P4 Pd4
• SMILES: c1(c2c(n3[n]1[Pd]1(n4[n](c(c(c4c4ccccc4)Cc4c5ccccc5c(Cc5c(n6[n](c5c5ccccc5)[Pd]5(n7c(c(c([n]7[Pd]76[n]6ccccc6c6[n]7cccc6)c6ccccc6)Cc6c7c(c(C2)c2ccccc62)cccc7)c2ccccc2)[n]2ccccc2c2[n]5cccc2)c2ccccc2)c2c4cccc2)c2ccccc2)[Pd]23[n]3ccccc3c3[n]2cccc3)[n]2ccccc2c2[n]1cccc2)c1ccccc1)c1ccccc1.[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: Self-Assembly and Host-Guest Interaction of Metallomacrocycles Using Fluorescent Dipyrazole Linker with Dimetallic Clips
• Authors of publication: Guo-Hong Ning; Liao-Yuan Yao; Li-Xia Liu; Ting-Zheng Xie; Yi-Zhi Li; Yu Qin; Yuan-Jiang Pan; Shu-Yan Yu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 7783 - 7792
• a: 44.0262 ± 0.001 Å
• b: 22.4503 ± 0.0005 Å
• c: 71.5704 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 70740 ± 3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0914
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No