Information card for entry 7003847

Structure parameters

• Formula: C44 H52 Mn3 N28 O19
• Calculated formula: C44 H46 Mn3 N24 O7
• SMILES: [Mn]123([O]4[Mn]567([O]8[Mn]9%10([O]=C(N[N]9=C(N)c9[n]%10cccc9)c9nc[nH]c9C)([OH2])[n]9c[nH]c(C)c9C8=N[N]6=C(N)c6[n]7cccc6)[N](N=C4c4[n]1c[nH]c4C)=C(N)c1[n]5cccc1)([O]=C(N[N]2=C(N)c1[n]3cccc1)c1nc[nH]c1C)[OH2].O
• Title of publication: Complete and ‘incomplete’ [2 ×2] grids by self-assembly with a sterically hindered ditopic imidazole hydrazone ligand—structural and magnetic studies
• Authors of publication: Dawe, Louise N.; Thompson, Laurence K.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 27
• Pages of publication: 3610 - 3618
• a: 10.7348 ± 0.0013 Å
• b: 13.6851 ± 0.0018 Å
• c: 23.48 ± 0.003 Å
• α: 88.283 ± 0.005°
• β: 80.327 ± 0.005°
• γ: 86.514 ± 0.005°
• Cell volume: 3393.4 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0881
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.2209
• Weighted residual factors for all reflections included in the refinement: 0.2393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No