Information card for entry 2221732

Structure parameters

• Chemical name: [μ-10,21-Dimethyl-3,6,14,17-tetraazatricyclo[17.3.1.1^8,12^]tetracosa- 1(23),8(24),9,11,19,21-hexaene-23,24-diolato- κ^8^<i>N</i>^3^,<i>N</i>^6^,<i>O</i>^23^,<i>O</i>^24^:<i>N</i>^14^, <i>N</i>^17^,<i>O</i>^23^,<i>O</i>^24^]bis[(nitrato- κ^2^<i>O</i>,<i>O</i>')nickel(II)]
• Formula: C22 H30 N6 Ni2 O8
• Calculated formula: C22 H30 N6 Ni2 O8
• SMILES: c1c2c3c(cc1C)C[NH]1CC[NH]4Cc5cc(C)cc6c5[O]5[Ni]714([O]3[Ni]135([NH](C6)CC[NH]1C2)ON(=[O]3)=O)ON(=[O]7)=O
• Title of publication: [μ-10,21-Dimethyl-3,6,14,17-tetraazatricyclo[17.3.1.1^8,12^]tetracosa-1(23),8(24),9,11,19,21-hexaene-23,24-diolato-κ^8^<i>N</i>^3^,<i>N</i>^6^,<i>O</i>^23^,<i>O</i>^24^:<i>N</i>^14^,<i>N</i>^17^,<i>O</i>^23^,<i>O</i>^24^]bis[(nitrato-κ^2^<i>O</i>,<i>O</i>')nickel(II)]
• Authors of publication: Li, Quan-Jun; Ma, Jian-Fang; Liu, Jie; Han, Ting-Ting
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: m522
• a: 25.02 ± 0.005 Å
• b: 25.02 ± 0.005 Å
• c: 10.616 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5755 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes