Information card for entry 4345295

Structure parameters

• Formula: C80 H120 N32 O28 Pd4
• Calculated formula: C80 H120 N32 O28 Pd4
• SMILES: c1n2cc[n]1[Pd]1([n]3cn(cc3)c3c(cc(n4cc[n](c4)[Pd]4([n]5cn(cc5)c5cc(c(n6c[n](cc6)[Pd]6([n]7ccn(c7)c7cc(c(n8cc[n](c8)[Pd]8([n]9cn(cc9)c9cc(C)c2cc9C)[N](CC[N]8(C)C)(C)C)cc7C)C)[N](CC[N]6(C)C)(C)C)cc5C)C)[N](C)(CC[N]4(C)C)C)c(c3)C)C)[N](CC[N]1(C)C)(C)C.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O
• Title of publication: Versatility of Two Diimidazole Building Blocks in Coordination-Driven Self-Assembly.
• Authors of publication: Roy, Bijan; Saha, Rupak; Ghosh, Aloke Kumar; Patil, Yogesh; Mukherjee, Partha Sarathi
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 6
• Pages of publication: 3579 - 3588
• a: 8.977 ± 0.002 Å
• b: 16.826 ± 0.004 Å
• c: 19.366 ± 0.004 Å
• α: 89.882 ± 0.006°
• β: 80.001 ± 0.006°
• γ: 85.863 ± 0.006°
• Cell volume: 2873.1 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1878
• Residual factor for significantly intense reflections: 0.0935
• Weighted residual factors for significantly intense reflections: 0.2001
• Weighted residual factors for all reflections included in the refinement: 0.2349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No