Information card for entry 7036426

Structure parameters

• Formula: C102 H54 Cl4 Mn8 N66
• Calculated formula: C102 H54 Cl4 Mn8 N66
• SMILES: [Mn]12345[Cl]6[Mn]789%10[n]%11n%12[Mn]%13%14%15%16[n]%17ccncc%17c%17n%13[n]1c(n%17)c1[n]2c(ccc1)c1n3[n]([Mn]23%13[Cl]%17[Mn]%18%19%20%21[n]%22n%23[Mn]%24%256([n]6ccncc6c%23nc%22c6[n]%18c(ccc6)c6n%19[n]%18[Mn]%19%22([n]%23c(c%18n6)cncc%23)([n]6n%13c(nc6c6[n]%19ccnc6)c6[n]3c(c3[n]2n5c(n3)c2[n]4ccnc2)ccc6)[n]2n3[Mn]45%17([n]6n8c(nc6c6[n]4ccnc6)c4[n]7c(c%11nc%12c6[n]%14ccnc6)ccc4)n4[n]%10c(nc4c4[n]5c(ccc4)c3nc2c2[n]%22ccnc2)c2[n]9ccnc2)[n]2n%16c(nc2c2[n]%24c(ccc2)c2n%25[n]%20c(n2)c2[n]%21ccnc2)c2[n]%15ccnc2)c(n1)c1nccnc1.[Cl-].[Cl-]
• Title of publication: Influence of ionic liquids on the syntheses and structures of Mn(ii) coordination polymers based on multidentate N-heterocyclic aromatic ligands and bridging carboxylate ligands.
• Authors of publication: Qin, Jian-Hua; Wang, Hua-Rui; Pan, Qi; Zang, Shuang-Quan; Hou, Hongwei; Fan, Yaoting
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 40
• Pages of publication: 17639 - 17651
• a: 18.489 ± 0.004 Å
• b: 18.973 ± 0.004 Å
• c: 20.929 ± 0.004 Å
• α: 112.87 ± 0.03°
• β: 100.08 ± 0.03°
• γ: 99.89 ± 0.03°
• Cell volume: 6423 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1353
• Residual factor for significantly intense reflections: 0.0978
• Weighted residual factors for significantly intense reflections: 0.2917
• Weighted residual factors for all reflections included in the refinement: 0.3289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No