Information card for entry 4301904

Structure parameters

• Formula: C102 H106 Mn5 N72 O42 Zn4
• Calculated formula: C102 H78 Mn5 N70 O24 Zn4
• SMILES: c1[n]2c(C(N)=[N]3N=C4c5cccc6[n]5[Zn]5789[O]4[Mn]4%1023[N](N=C2[O]4[Zn]34%11%12[n]%13c(C%14=N[N]%15=C(c%16[n](cccn%16)[Mn]%16%17%15([N](N=C%15[O]%16[Zn]%16%18%19%20[n]%21c(C%22=N[N]%23=C(c%24[n](cccn%24)[Mn]%24%25%23([N](N=C%23[O]%24[Zn]%24%26%27([n]%28c(C%29=N[N]%30=C(c%31[n](cccn%31)[Mn]%31%32%30([N](N=C6[O]5%31)=C(N)c5nccc[n]%325)[O]%24%29)N)cccc%23%28)[O]5[Mn]6%23%24([O]7C(=N[N]9=C(c7[n]8cccn7)N)c7cccc([n]67)C(=N[N]%20=C(c6[n]%19cccn6)N)[O]%18%23)[O]4C(=N[N]%12=C(c4[n]%11cccn4)N)c4cccc(C5=N[N]%27=C(c5[n]%26cccn5)N)[n]%244)=C(N)c4nccc[n]%254)[O]%16%22)N)cccc%15%21)=C(N)c4nccc[n]%174)[O]3%14)N)cccc2%13)=C(N)c2nccc[n]%102)ncc1.O=N(=O)[O-].O=N(=O)[O-].O=N(=O)[O-].O=N(=O)[O-]
• Title of publication: Magnetic [nxn] (n= 2-5) Grids by Directed Self-Assembly
• Authors of publication: Louise N. Dawe; Konstantin V. Shuvaev; Laurence K. Thompson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 3323 - 3341
• a: 27.958 ± 0.003 Å
• b: 27.958 ± 0.003 Å
• c: 39.801 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 31110 ± 6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.1292
• Residual factor for significantly intense reflections: 0.1168
• Weighted residual factors for significantly intense reflections: 0.2769
• Weighted residual factors for all reflections included in the refinement: 0.2855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No