Information card for entry 2222753

Structure parameters

• Chemical name: [μ-14,29-Di-<i>tert</i>-butyl-3,10,18,25- tetraazatpentacyclo[25.3.1.1^12,16^.0^4,9^.0^19,24^]dotriaconta- 1(31),4,6,8,12(32),14,16,19,21,23,27,29-dodecaene-31,32-diolato]bis[(nitrato- κ^2^<i>O</i>,<i>O</i>')zinc(II)]
• Formula: C36 H42 N6 O8 Zn2
• Calculated formula: C36 H42 N6 O8 Zn2
• SMILES: c12ccccc1[NH]1[Zn]345([NH]2Cc2cc(cc6C[NH]7c8c(cccc8)[NH]8Cc9cc(cc(C1)c9[O]5[Zn]178(ON(=[O]1)=O)[O]4c26)C(C)(C)C)C(C)(C)C)ON(=[O]3)=O
• Title of publication: [μ-14,29-Di-<i>tert</i>-butyl-3,10,18,25-tetraazatpentacyclo[25.3.1.1^12,16^.0^4,9^.0^19,24^]dotriaconta-1(31),4,6,8,12(32),14,16,19,21,23,27,29-dodecaene-31,32-diolato]bis[(nitrato-κ^2^<i>O</i>,<i>O</i>')zinc(II)]
• Authors of publication: Fan, Li-Jing; Ma, Jian-Fang; Liu, Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m985
• a: 13.7149 ± 0.0008 Å
• b: 18.0691 ± 0.001 Å
• c: 7.3523 ± 0.0003 Å
• α: 90°
• β: 101.11 ± 0.005°
• γ: 90°
• Cell volume: 1787.87 ± 0.16 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1683
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes