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Information card for entry 4507538
Preview
Coordinates | 4507538.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H26 Cd N8 O12 |
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Calculated formula | C34 H26 Cd N8 O12 |
SMILES | c1c2ccc[n]1[Cd]1([n]3cccc(C(=O)c4nc(C2=O)ccc4)c3)([OH2])([n]2cc(ccc2)C(=O)c2cccc(n2)C(=O)c2ccc[n]1c2)[OH2].N(=O)(=O)[O-].N(=O)(=O)[O-] |
Title of publication | Group 12 Metal Complexes of Semirigid 2,6-Pyridinediylbis(3-pyridinyl)methanone: Role of Counteranions and Solvent in Product Formation |
Authors of publication | Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; Mak, Thomas C. W. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2013 |
Journal volume | 13 |
Journal issue | 5 |
Pages of publication | 1926 |
a | 23.192 ± 0.013 Å |
b | 9.862 ± 0.006 Å |
c | 17.081 ± 0.009 Å |
α | 90° |
β | 113.969 ± 0.01° |
γ | 90° |
Cell volume | 3570 ± 4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0525 |
Residual factor for significantly intense reflections | 0.0403 |
Weighted residual factors for significantly intense reflections | 0.1003 |
Weighted residual factors for all reflections included in the refinement | 0.1084 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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