Information card for entry 7015749

Structure parameters

• Formula: C44 H44 Mn4 N18 O14
• Calculated formula: C44 H44 Mn4 N18 O14
• SMILES: c1cccc2C=[N]3N=C4C(C)=[N](O)[Mn]567([n]8ccccc8C8=[N]5[N]5=C(O7)C(=NO[Mn]795([n]5ccccc5C=[N]7N=C5C(C)=[N](O)[Mn]7%10(OC%11=[N]%12[Mn]3([n]12)(ON=C%11C)([O]46)OC(=[N]%10%12)c1[n]7cccc1)([O]95)OC(=O)C)O8)C)OC(=O)C.N#CC.N#CC
• Title of publication: Complexes of functionally modified hydrazone ligands‒square, rectangular (M4), trigonal bipyramidal (M5) and pin-wheel (M6) motifs.
• Authors of publication: Anwar, Muhammad U.; Elliott, Andrew S.; Thompson, Laurence K.; Dawe, Louise N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 17
• Pages of publication: 4623 - 4635
• a: 11.2858 ± 0.0017 Å
• b: 12.7841 ± 0.0017 Å
• c: 19.247 ± 0.003 Å
• α: 90°
• β: 108.798 ± 0.003°
• γ: 90°
• Cell volume: 2628.8 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0887
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No