Information card for entry 7032223

Structure parameters

• Formula: C228 H254 N54 O30 Pd10
• Calculated formula: C228 H254 N54 O30 Pd10
• SMILES: c1cc(cc2c3cc(cc[n]3[Pd]3([n]12)n1c(C)c(c(C)n1)Cc1c(c2c(c(c1C)Cc1c(C)n4[n](c1C)[Pd]1([n]5ccc(cc5c5cc(cc[n]15)C)C)[n]1c(c(Cc5c(c(Cc6c(C)n7[n](c6C)[Pd]6([n]8ccc(cc8c8cc(cc[n]68)C)C)[n]6c(c(C2)c(C)n6[Pd]27[n]6ccc(cc6c6cc(cc[n]26)C)C)C)c(c(c5C)Cc2c(C)[n]([nH]c2C)[Pd]2([n]5c(c6cc(cc[n]26)C)cc(cc5)C)n2c(C)c(c(C)n2)Cc2c(c5c(c(c2C)Cc2c(C)n6[n](c2C)[Pd]2([n]7ccc(cc7c7cc(cc[n]27)C)C)[n]2c(c(c(C)n2[Pd]26[n]6ccc(cc6c6cc(cc[n]26)C)C)Cc2c(c(c(c(c2C)Cc2c(C)[n]6n([Pd]7([n]8ccc(cc8c8cc(cc[n]78)C)C)[n]7c(C)c(C5)c(C)n7[Pd]56[n]6ccc(cc6c6cc(cc[n]56)C)C)c2C)C)Cc2c(C)[nH][n]3c2C)C)C)C)C)C)C)c(C)n1[Pd]14[n]2ccc(cc2c2cc(cc[n]12)C)C)C)C)C)C)C.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-]
• 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: 22.144 ± 0.004 Å
• b: 25.555 ± 0.005 Å
• c: 29.195 ± 0.006 Å
• α: 88.07 ± 0.03°
• β: 74.13 ± 0.03°
• γ: 71.95 ± 0.03°
• Cell volume: 15086 ± 6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1526
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No