Information card for entry 7032990

Structure parameters

• Formula: C300 H204 N24 O54 Pd6 S6
• Calculated formula: C300 H204 N24 O54 Pd6 S6
• SMILES: c12ccc3[n]([Pd]45[n]6cccc7cc(OC(=O)c8cc9cc(C(=O)Oc%10cc%11ccc[n](c%11cc%10)[Pd]%10%11[n]%12cccc%13cc(ccc%12%13)OC(=O)c%12cc(C(=O)O1)cc(C(=O)Oc1cc%13ccc[n](c%13cc1)[Pd]1%13[n]%14cccc%15cc(OC(=O)c%16cc(C(=O)Oc%17cc%18ccc[n]5c%18cc%17)cc(c%16)C(=O)Oc5cc%16ccc[n](c%16cc5)[Pd]5%16[n]%17cccc%18cc(ccc%17%18)OC(=O)c%17cc%18C(=O)Oc%19cc%20ccc[n](c%20cc%19)[Pd]([n]%19cccc%20cc(OC(=O)c%21cc(C(=O)Oc%22cc%23ccc[n]1c%23cc%22)cc(C(=O)Oc1cc%22ccc[n]%16c%22cc1)c%21)ccc%19%20)([n]1cccc%16cc(OC(=O)c%19cc(C(=O)Oc%20cc%21ccc[n]%13c%21cc%20)cc(C(=O)Oc%13cc%20ccc[n]%10c%20cc%13)c%19)ccc1%16)[n]1cccc%10cc(OC(=O)c%13cc(C(=O)Oc%16cc%19ccc[n]%11c%19cc%16)cc(C(=O)Oc%11cc%16ccc[n](c%16cc%11)[Pd]([n]%11cccc%16cc(ccc%11%16)OC(=O)c(c%18)c%17)([n]%11cccc%16cc(OC9=O)ccc%11%16)[n]9cccc%11cc(OC(=O)c%16cc(C(=O)Oc%17cc%18ccc[n]4c%18cc%17)cc(C(=O)Oc4cc%17ccc[n]5c%17cc4)c%16)ccc9%11)c%13)ccc1%10)ccc%14%15)c%12)c8)ccc67)cccc3c2.S(C)(=O)C.O=S(C)C.O=S(C)C.O=S(C)C.O=S(C)C.O=S(C)C
• Title of publication: Indistinguishability and distinguishability between amide and ester moieties in the construction and properties of M6L8 octahedral nanocages.
• Authors of publication: Noh, Tae Hwan; Hong, Woosik; Lee, Haeri; Jung, Ok-Sang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 2
• Pages of publication: 787 - 794
• a: 28.3724 ± 0.0011 Å
• b: 28.3724 ± 0.0011 Å
• c: 59.4801 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 41466 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.132
• Residual factor for significantly intense reflections: 0.0898
• Weighted residual factors for significantly intense reflections: 0.224
• Weighted residual factors for all reflections included in the refinement: 0.2398
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No