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Information card for entry 2015721
Preview
Coordinates | 2015721.cif |
---|---|
Structure factors | 2015721.hkl |
Original IUCr paper | HTML |
Chemical name | Bis(μ-3-nitro-1,2-benzenedicarboxylato) -κ^8^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^2^,<i>O</i>^3^;O^3^,<i>O</i>^2^:\ <i>O</i>^2^,<i>O</i>^1^ -bis[triaqua(3-nitro-2-carboxybenzoato-κ^2^<i>O</i>,<i>O</i>')lanthanum(III)] dihydrate |
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Formula | C32 H30 La2 N4 O32 |
Calculated formula | C32 H30 La2 N4 O32 |
SMILES | C1(O)=[O][La]234(OC(=O)c5c1cccc5N(=O)=O)([OH2])([OH2])([OH2])[O]=C1c5cccc(c5C(=O)O[La]56([O]=C(c7cccc(c7C(=O)O4)N(=O)=O)[O]25)([O]31)([O]=C(O)c1cccc(N(=O)=O)c1C(=O)O6)([OH2])([OH2])[OH2])N(=O)=O.O.O |
Title of publication | Bis(μ-3-nitrobenzene-1,2-dicarboxylato)-κ^8^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^2^,<i>O</i>^3^;O^3^,<i>O</i>^2^:<i>O</i>^2^,<i>O</i>^1^-bis[triaqua(2-carboxy-3-nitrobenzoato-κ^2^<i>O</i>,<i>O</i>')lanthanum(III)] dihydrate |
Authors of publication | Xiong, Li-Qin; Qi, Chuan-Min |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 1 |
Pages of publication | m10 - m12 |
a | 8.17 ± 0.0012 Å |
b | 8.9036 ± 0.0013 Å |
c | 15.279 ± 0.002 Å |
α | 100.828 ± 0.002° |
β | 90.935 ± 0.002° |
γ | 104.581 ± 0.002° |
Cell volume | 1054.1 ± 0.3 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 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 | 0.03 |
Residual factor for significantly intense reflections | 0.0243 |
Weighted residual factors for significantly intense reflections | 0.0565 |
Weighted residual factors for all reflections included in the refinement | 0.059 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
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/2015721.html
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