Information card for entry 7032221

Structure parameters

• Formula: C240 H204 F72 N48 P12 Pd12
• Calculated formula: C240 H204 F72 N48 P12 Pd12
• SMILES: c1ccc2c3[n]1[Pd]1([n]4cccc(c34)cc2)[n]2c(c3c(C)n2[Pd]2([n]4cccc5ccc6c([n]2ccc6)c45)[n]2c(c(c(C)n12)Cc1cc2Cc4c(C)n5[n]([Pd]6([n]7cccc8ccc9ccc[n]6c9c78)n6c(c(Cc7cc8Cc9c(n%10[n]([Pd]%11([n]%12cccc%13ccc%14ccc[n]%11c%14c%12%13)n%11[n]([Pd]%12%10[n]%10cccc%13c%10c%10[n]%12cccc%10cc%13)c(c(c%11C)Cc%10cc(cc(Cc%11c(C)n%12[n]([Pd]%13([n]%14c%15c%16[n]%13cccc%16ccc%15ccc%14)n%13c(c(Cc%14cc(cc(C3)c%14)Cc3c(n%14[n]([Pd]%15([n]%16cccc%17ccc%18ccc[n]%15c%18c%16%17)n%15[n]([Pd]%16%14[n]%14cccc%17ccc%18ccc[n]%16c%18c%14%17)c(c(c%15C)Cc(c1)c2)C)c3C)C)c(C)[n]%13[Pd]1%12[n]2cccc3ccc%12ccc[n]1c%12c23)C)c%11C)c%10)Cc1c(C)n2[n](c1C)[Pd]1([n]3cccc%10ccc%12ccc[n]1c%12c3%10)n1c(c(c(C)[n]1[Pd]12[n]2cccc3ccc%10ccc[n]1c%10c23)Cc(c8)c7)C)C)c9C)C)c(C)[n]6[Pd]15[n]2cccc3ccc5ccc[n]1c5c23)C)c4C)C)C.[F-][P](F)(F)(F)(F)F.[F-][P](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-].[F-][P](F)(F)(F)(F)F.[F-][P](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: Self-assembly of tri-pyrazolate linked cages with di-palladium coordination motifs.
• Authors of publication: Jiang, Xuan-Feng; Deng, Wei; Jin, Rui; Qin, Lin; Yu, Shu-Yan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 42
• Pages of publication: 16015 - 16024
• a: 21.424 ± 0.004 Å
• b: 21.647 ± 0.004 Å
• c: 23.509 ± 0.005 Å
• α: 67.45 ± 0.03°
• β: 68.36 ± 0.03°
• γ: 86.25 ± 0.03°
• Cell volume: 9323 ± 4 ų
• Cell temperature: 393 ± 2 K
• Ambient diffraction temperature: 393 ± 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: 0.0623
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No