Information card for entry 2228761

Structure parameters

• Chemical name: Bis(μ-3,5-dinitrobenzoato-κ^2^<i>O</i>^1^:<i>O</i>^1'^)bis(μ-3,5- dinitrobenzoato)-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^; κ^3^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^1'^-bis[(3,5-dinitrobenzoato- κ^2^<i>O</i>^1^,<i>O</i>^1'^)(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>)dysprosium(III)]
• Formula: C66 H34 Dy2 N16 O36
• Calculated formula: C66 H34 Dy2 N16 O36
• SMILES: c12c3ccc[n]1[Dy]14567([O]=C(O1)c1cc(N(=O)=O)cc(N(=O)=O)c1)([n]1cccc(cc3)c21)[O](C(=[O]6)c1cc(N(=O)=O)cc(N(=O)=O)c1)[Dy]123([n]6c8c(ccc8)ccc8ccc[n]1c86)([O]=C(O2)c1cc(N(=O)=O)cc(N(=O)=O)c1)([O]5C(=[O]3)c1cc(N(=O)=O)cc(N(=O)=O)c1)([O]=C(c1cc(N(=O)=O)cc(N(=O)=O)c1)O4)OC(c1cc(N(=O)=O)cc(N(=O)=O)c1)=[O]7
• Title of publication: Bis(μ-3,5-dinitrobenzoato-κ^2^<i>O</i>^1^:<i>O</i>^1'^)bis(μ-3,5-dinitrobenzoato)-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^;κ^3^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^1'^-bis[(3,5-dinitrobenzoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>)dysprosium(III)]
• Authors of publication: Dong, Chun-Hua; Zhang, Da-Hai; Ren, Ning; Xi, Gai-Qing; Hao, Juan-Juan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: m102
• a: 11.9569 ± 0.0004 Å
• b: 12.8636 ± 0.0004 Å
• c: 13.1187 ± 0.0004 Å
• α: 104.24 ± 0.05°
• β: 113.96 ± 0.05°
• γ: 100.46 ± 0.05°
• Cell volume: 1694.6 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0164
• Residual factor for significantly intense reflections: 0.0158
• Weighted residual factors for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.0412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes