Information card for entry 4103469

Structure parameters

• Formula: C183 H219 Au9 N48.75 O94.75 Pd6
• Calculated formula: C183 H219 Au9 N48.813 O94.1865 Pd6
• SMILES: O.O.O.[Au]1[n]2n([Au][n]3n([Au]n4[n]1c(cc4C(=O)OC)C(=O)OC)c(C(=O)OC)cc3C(=O)OC)c(cc2C(=O)OC)C(=O)OC.[Au]1n2[n]([Au]n3[n]([Au]n4[n]1c(cc4C(=O)OC)C(=O)OC)c(cc3C(=O)OC)C(=O)OC)c(cc2C(=O)OC)C(=O)OC.[Au]1[n]2n([Au][n]3n([Au][n]4n1c(cc4C(=O)OC)C(=O)OC)c(cc3C(=O)OC)C(=O)OC)c(cc2C(=O)OC)C(=O)OC.c12nc3nc(n1)c1cc[n](cc1)[Pd]1([n]4ccc(c5ccc(c6cc[n](cc6)[Pd]6([n]7ccc(c8nc(nc(n8)c8cc[n](cc8)[Pd]8([n]9ccc(cc9)c9ccc(c%10cc[n](cc%10)[Pd]%10([n]%11ccc3cc%11)[N](CC[N]%10(C)C)(C)C)cc9)[N](CC[N]8(C)C)(C)C)c3cc[n](cc3)[Pd]3([n]8ccc(cc8)c8ccc(cc8)c8cc[n](cc8)[Pd]8([n]9ccc2cc9)[N](CC[N]8(C)C)(C)C)[N](CC[N]3(C)C)(C)C)cc7)[N](CC[N]6(C)C)(C)C)cc5)cc4)[N](CC[N]1(C)C)(C)C.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.N(=O)(=O)[O-].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: [mxn] Metal Ion Arrays Templated by Coordination Cages
• Authors of publication: Takafumi Osuga; Takashi Murase; Kosuke Ono; Yoshihiro Yamauchi; Makoto Fujita
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 15553 - 15555
• a: 18.571 ± 0.009 Å
• b: 30.944 ± 0.016 Å
• c: 47.85 ± 0.02 Å
• α: 83.515 ± 0.006°
• β: 87.051 ± 0.006°
• γ: 89.237 ± 0.006°
• Cell volume: 27285 ± 2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.241
• Residual factor for significantly intense reflections: 0.1331
• Weighted residual factors for significantly intense reflections: 0.2875
• Weighted residual factors for all reflections included in the refinement: 0.3523
• 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: Yes
• Has Fobs: No