Information card for entry 2214520

Structure parameters

• Chemical name: <i>cyclo</i>-Tetrakis[μ-<i>N</i>-(2-hydroxybenzoyl)-<i>N</i>'-(2-hydroxy-3-\ methoxybenzylidene)hydrazine(2-)]tetrazinc(II)} <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate
• Formula: C72 H76 N12 O20 Zn4
• Calculated formula: C72 H76 N12 O20 Zn4
• SMILES: c1ccc2c3c1C=[N]1N=C(O[Zn]451[O]3[Zn]13(OC(=N[N]1=Cc1cccc6c1[O]3[Zn]13(OC(=N[N]1=Cc1cccc7c1[O]3[Zn]13(OC(=N[N]1=Cc1cccc(c1[O]43)[O]5C)c1ccccc1O)[O]7C)c1ccccc1O)[O]6C)c1ccccc1O)[O]2C)c1ccccc1O.N(C=O)(C)C.N(C=O)(C)C.N(C=O)(C)C.N(C=O)(C)C
• Title of publication: <i>cyclo</i>-Tetrakis[μ-<i>N</i>-(2-hydroxybenzoyl)-<i>N</i>'-(2-hydroxy-3-methoxybenzylidene)hydrazine(2‒)]tetrazinc(II) <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate
• Authors of publication: Gao, Yu-Xiang; Wang, Li-Bin; Niu, Yan-Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2180 - m2180
• a: 24.1202 ± 0.001 Å
• b: 24.1202 ± 0.001 Å
• c: 13.093 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7617.3 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes