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Information card for entry 2233879
Preview
Coordinates | 2233879.cif |
---|---|
Structure factors | 2233879.hkl |
Original IUCr paper | HTML |
Chemical name | Bis[[aqua(1<i>H</i>-imidazol[4,5-<i>f</i>][1,10]phenanthroline- κ^2^<i>N</i>^6^,<i>N</i>^7^)cadmium]bis(μ-pyridine-2,3-dicarboxylato)- κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^3^;κ^3^<i>O</i>^3^:<i>N</i>,<i>O</i>^2^] |
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Formula | C40 H26 Cd2 N10 O10 |
Calculated formula | C40 H26 Cd2 N10 O10 |
SMILES | c12c3[n]4cccc3c3c(c1ccc[n]2[Cd]124([OH2])[n]4c(c(ccc4)C(=O)O[Cd]45([n]6c7c8c(ccc[n]48)c4c(c7ccc6)nc[nH]4)([n]4c(c(ccc4)C(=O)O2)C(=O)O5)[OH2])C(=O)O1)nc[nH]3 |
Title of publication | Bis[[aqua(1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>^6^,<i>N</i>^7^)cadmium]bis(μ-pyridine-2,3-dicarboxylato)-κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^3^;κ^3^<i>O</i>^3^:<i>N</i>,<i>O</i>^2^] |
Authors of publication | Chen, Li-Juan; Yang, Ming-Xing; Huang, Hua; Chen, Xiao-Hua; Lin, Shen |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 3 |
Pages of publication | m301 |
a | 7.474 ± 0.004 Å |
b | 10.214 ± 0.005 Å |
c | 12.641 ± 0.007 Å |
α | 80.333 ± 0.006° |
β | 72.974 ± 0.005° |
γ | 80.17 ± 0.005° |
Cell volume | 902 ± 0.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0353 |
Residual factor for significantly intense reflections | 0.0318 |
Weighted residual factors for significantly intense reflections | 0.0815 |
Weighted residual factors for all reflections included in the refinement | 0.0844 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
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/2233879.html
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