Information card for entry 7042041

Structure parameters

• Formula: C108 H216 K8 N12 O48 Pd24 Sb42
• Calculated formula: C108 H216 K8 N12 O48 Pd24 Sb42
• SMILES: [K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.NCCN.[Sb]123456789%10%11[Pd]%12%13%14%15%16%17%18%19%20[Pd]%21%22%23%24%25%26%27%281[Pd]1%29%30%31%32%33%343%13[Sb]3%13%35%17[Sb]%17%36%37%16[Pd]%16%38%39%40%41%42%432%12[Sb]2%12%15%17[Sb]%15%17%14%21[Sb]%18%2213[Sb]13%24%29[Sb]%14%18%21%23[Pd]%22%23%24%29%446%25%311[Pd]16%25%31%45%46%474%30[Pd]4%30%488%19%32%13%37%39[Sb]8%13%36%16[Pd]%16%19%32%36%379%4014[Pd]149%39%40%49%505%38[Pd]5%38%51%52%537%26%14%22[Pd]7%14%22%26%10%236%161[Sb]169%38[Sb]%19%397([Sb]%42%13%36%40[Sb]7%43%12%49[Pd]9%11%20%27%412%1545[Sb]%50%5117[Sb]%28%17%21%539)[Sb]1%46%37%14[Sb]%45%488%32[Sb]%34%35%31%30[Sb]%333%24%25[Sb]%29%47%221[Sb]%18%44%52%266.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.NCCN.NCCN
• Title of publication: Counterion-induced crystallization of intermetalloid Matryoshka clusters [Sb@Pd12@Sb20](3-,4).
• Authors of publication: Li, Zhenyu; Ruan, Huapeng; Wang, Lulu; Liu, Caiping; Xu, Li
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 11
• Pages of publication: 3453 - 3456
• a: 29.59 ± 0.002 Å
• b: 29.59 ± 0.002 Å
• c: 29.59 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 25908 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.1894
• Weighted residual factors for all reflections included in the refinement: 0.1906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.286
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No