Information card for entry 4339779

Structure parameters

• Formula: C162 H102 Cl6 Mn9 N42 O36
• Calculated formula: C162 H102 Cl6 Mn9 N42 O36
• SMILES: [Mn]12345[O]6[Mn]789%10[O]%11[Mn]%12%13%14(OC%15=[N]([Mn]%16%17%18%19[O]%20[Mn]%21%22%23%24[O]%25[Mn]%26%27%28([n]%29c%30ccccc%30ccc%29C=[N]%26N=C%25c%25[n]%21c(ccc%25)C%20=N[N]%16=Cc%16[n]%17c%17c(cc%16)cccc%17)[N]([N]5=Cc5[n]4c4ccccc4cc5)=C(O1)c1[n]%27c(ccc1)C1O[Mn]45%16([O]%17[Mn]%20%21%25([O]%26[Mn]%27%29%30(OC(=[N]%19[N]%29=Cc%19[n]%30c%29c(cc%19)cccc%29)c%19[n]%18c%15ccc%19)[N](N=C%26c%15[n]%20c(C%17=N[N]5=Cc5[n]4c4ccccc4cc5)ccc%15)=Cc4[n]%27c5c(cc4)cccc5)OC(=[N]%24[N]%21=Cc4[n]%25c5c(cc4)cccc5)c4[n]%23c(C(O7)=[N]%22[N]%10=Cc5[n]9c7ccccc7cc5)ccc4)[N]([N]%28=1)=Cc1[n]%16c4c(cc1)cccc4)[N]%14=Cc1[n]%13c4ccccc4cc1)[N](N=C%11c1[n]8c(C6=N[N]3=Cc3[n]2c2ccccc2cc3)ccc1)=Cc1[n]%12c2c(cc1)cccc2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Supramolecular self-assembled polynuclear complexes from tritopic, tetratopic, and pentatopic ligands: structural, magnetic and surface studies.
• Authors of publication: Dey, Subrata K.; Abedin, Tareque S. M.; Dawe, Louise N.; Tandon, Santokh S.; Collins, Julie L.; Thompson, Laurence K.; Postnikov, Andrei V.; Alam, Mohammad S.; Müller, Paul
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 19
• Pages of publication: 7767 - 7781
• a: 20.908 ± 0.004 Å
• b: 27.102 ± 0.004 Å
• c: 32.492 ± 0.005 Å
• α: 90°
• β: 98.239 ± 0.004°
• γ: 90°
• Cell volume: 18222 ± 5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1268
• Residual factor for significantly intense reflections: 0.0936
• Weighted residual factors for significantly intense reflections: 0.234
• Weighted residual factors for all reflections included in the refinement: 0.2597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No