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Information card for entry 4305004
Preview
Coordinates | 4305004.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H28 Cu3 N8 O15 |
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Calculated formula | C32 H28 Cu3 N8 O15 |
SMILES | [Cu]12(Oc3ncc4[n]5[Cu]67(OC(=[O]1)c35)(OC4=O)OC(=O)c1[n]7c3c(O[Cu]4([O]=C3O6)([OH2])[n]3ccccc3c3[n]4cccc3)nc1)([OH2])[n]1ccccc1c1[n]2cccc1.O.O.O |
Title of publication | Hydrothermal Reaction of Cu(II)/Pyrazine-2,3,5-tricarboxylic acid and Characterization of the Copper(II) Complexes |
Authors of publication | Feng-Qin Wang; Wei-Hua Mu; Xiang-Jun Zheng; Li-Cun Li; De-Cai Fang; Lin-Pei Jin |
Journal of publication | Inorganic Chemistry |
Year of publication | 2008 |
Journal volume | 47 |
Pages of publication | 5225 - 5233 |
a | 8.563 ± 0.004 Å |
b | 12.248 ± 0.005 Å |
c | 16.987 ± 0.007 Å |
α | 81.076 ± 0.007° |
β | 84.387 ± 0.007° |
γ | 85.82 ± 0.008° |
Cell volume | 1748.6 ± 1.3 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 | 0.1163 |
Residual factor for significantly intense reflections | 0.0507 |
Weighted residual factors for significantly intense reflections | 0.0965 |
Weighted residual factors for all reflections included in the refinement | 0.1234 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4305004.html
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Users of the data should acknowledge the original authors of the
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