Information card for entry 2214412

Structure parameters

• Chemical name: [μ-10,21-Dimethyl-3,6,14,17-tetraazatricyclo[17.3.1^8,12^]tetracosa- 1(23),8,10,12(24),19,21-hexaene-23,24-diolato- κ^4^N^3^,N^6^,O^23^,O^24^:κ^4^N^14^,N^17^,O^23^,O^24^]bis(nitrato-κO)zinc(II)
• Formula: C22 H30 N6 O8 Zn2
• Calculated formula: C22 H30 N6 O8 Zn2
• SMILES: c1(cc2C[NH]3CC[NH]4[Zn]53([O]3c2c(c1)C[NH]1CC[NH]2Cc6cc(C)cc(c6[O]5[Zn]312ON(=O)=O)C4)ON(=O)=O)C
• Title of publication: [μ-10,21-Dimethyl-3,6,14,17-tetraazatricyclo[17.3.1^8,12^]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(nitrato-κ<i>O</i>)zinc(II)
• Authors of publication: Jie Liu; Jian-Fang Ma; Shun-Li Li; Guang-Ju Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1954 - m1954
• a: 8.219 ± 0.0005 Å
• b: 14.145 ± 0.0008 Å
• c: 11.055 ± 0.0006 Å
• α: 90°
• β: 103.744 ± 0.009°
• γ: 90°
• Cell volume: 1248.43 ± 0.13 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: 0.0357
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes