Information card for entry 1519679

Structure parameters

• Formula: C6 H24 Cl2 N36 O8 Zn
• Calculated formula: C6 H24 Cl2 N36 O8 Zn
• SMILES: c1([n](nnn1N)[Zn]([n]1c(n(nn1)N)N)([n]1c(n(nn1)N)N)([n]1c(n(nn1)N)N)([n]1c(n(nn1)N)N)[n]1c(n(nn1)N)N)N.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Controllable explosion: fine-tuning the sensitivity of high-energy complexes.
• Authors of publication: Wang, Kun; Zeng, Dihao; Zhang, Jian-Guo; Cui, Yan; Zhang, Tong-Lai; Li, Zhi-Min; Jin, Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 28
• Pages of publication: 12497 - 12501
• a: 11.8398 ± 0.0009 Å
• b: 11.8398 ± 0.0009 Å
• c: 6.57 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 797.6 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No