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Information card for entry 2228761
Preview
Coordinates | 2228761.cif |
---|---|
Structure factors | 2228761.hkl |
Original IUCr paper | HTML |
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)] |
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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 Å3 |
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 |
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The link is: https://www.crystallography.net/2228761.html
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