Information card for entry 4322881

Structure parameters

• Formula: C36 H46 Cl4 Mn2 N18 O21
• Calculated formula: C36 H36 Cl4 Mn2 N18 O21
• SMILES: c1cccc2C(=[N]3[Mn]456([n]12)[n]1ccccc1C(=[N]4[N]1[Mn]24([n]7ccccc7C(=[N]2[N]6=C(N)c2[n]5cccc2)N)([n]2ccccc2C(N)=[N]34)[n]2ccccc2C=1N)N)N.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.O.O.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.O.O
• Title of publication: Spiral Dinuclear Complexes of Tetradentate N4 Diazine Ligands with Mn(II), Fe(II), Fe(III), Co(III), and Ni(II) Salts
• Authors of publication: Zhiqiang Xu; Laurence K. Thompson; David O. Miller; Howard J. Clase; Judith A. K. Howard; Andrés E. Goeta
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 3620 - 3627
• a: 13.4086 ± 0.0002 Å
• b: 32.0249 ± 0.0001 Å
• c: 14.3132 ± 0.0002 Å
• α: 90°
• β: 115.635 ± 0.001°
• γ: 90°
• Cell volume: 5541.24 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections: 0.167
• Weighted residual factors for significantly intense reflections: 0.1524
• Goodness-of-fit parameter for all reflections: 1.162
• Goodness-of-fit parameter for significantly intense reflections: 1.212
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No