Information card for entry 2210299

Structure parameters

• Chemical name: [5,16-Dimethyl-2,6,13,17-tetraazatricyclo[14,4,0^1.18^,0^7.12^]docosane- κ^4^N]dinitratocopper(II) trihydrate
• Formula: C20 H46 Cu N6 O9
• Calculated formula: C20 H46 Cu N6 O9
• Title of publication: (5,16-Dimethyl-2,6,13,17-tetraazatricyclo[14,4,0^1,18^,0^7,12^]docosane-κ^4^<i>N</i>)dinitratocopper(II) trihydrate
• Authors of publication: Choi, Jong-Ha; Suzuki, Takayoshi; Kaizaki, Sumio
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2383 - m2385
• a: 7.813 ± 0.005 Å
• b: 8.746 ± 0.007 Å
• c: 10.715 ± 0.007 Å
• α: 93.06 ± 0.03°
• β: 106.86 ± 0.02°
• γ: 108.43 ± 0.03°
• Cell volume: 656.2 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes