Information card for entry 2216444

Structure parameters

• Chemical name: [μ-10,21-Dimethyl-3,6,14,17-tetraazatricyclo[17.3.1.1^8,12^]tetracosa- 1(23),8,10,12(24),19,21-hexaene-23,24-diolato- κ^4^<i>N</i>^3^,<i>N</i>^6^,<i>O</i>^23^,<i>O</i>^24^:κ^4^<i>N</i>^14^, <i>N</i>^17^,<i>O</i>^23^,<i>O</i>^24^]bis(maleato-κ<i>O</i>)zinc(II)
• Formula: C30 H36 N4 O10 Zn2
• Calculated formula: C30 H36 N4 O10 Zn2
• SMILES: O(C(=O)/C=C\C(=O)O)[Zn]123[NH]4Cc5c6c(cc(c5)C)C[NH]5CC[NH]7Cc8c(c(cc(c8)C)C[NH]1CC4)[O]3[Zn]57([O]26)OC(=O)/C=C\C(=O)O
• Title of publication: [μ-10,21-Dimethyl-3,6,14,17-tetraazatricyclo[17.3.1.1^8,12^]tetracosa-1(23),8,10,12(24),19,21-hexaene-23,24-diolato-κ^4^<i>N</i>^3^,<i>N</i>^6^,<i>O</i>^23^,<i>O</i>^24^:κ^4^<i>N</i>^14^,<i>N</i>^17^,<i>O</i>^23^,<i>O</i>^24^]bis(maleato-κ<i>O</i>)zinc(II)
• Authors of publication: Jie Liu; Guang-Ju Ping; Quan-Jun Li; Jian-Fang Ma
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3172 - m3173
• a: 9.4233 ± 0.0007 Å
• b: 11.2691 ± 0.0008 Å
• c: 14.687 ± 0.0011 Å
• α: 90°
• β: 96.3816 ± 0.0008°
• γ: 90°
• Cell volume: 1550 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes