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Information card for entry 4325416
Preview
Coordinates | 4325416.cif |
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Original paper (by DOI) | HTML |
Formula | C14 H17 Cu O5 n3 |
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Calculated formula | C14 H17 Cu N3 O5 |
SMILES | c12O[Cu]3([N](=Cc2cccc1)CC[N]13CCOCC1)N=C=O.O.O |
Title of publication | Syntheses, Structures, and Magnetic Properties of Three One-Dimensional End-to-End Azide/Cyanate-Bridged Copper(II) Compounds Exhibiting Ferromagnetic Interaction: new Type of Solid State Isomerism |
Authors of publication | Sujit Sasmal; Sohini Sarkar; Núria Aliaga-Alcalde; Sasankasekhar Mohanta |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 5687 - 5695 |
a | 9.3725 ± 0.0015 Å |
b | 9.1324 ± 0.0015 Å |
c | 19.663 ± 0.003 Å |
α | 90° |
β | 100.29 ± 0.005° |
γ | 90° |
Cell volume | 1656 ± 0.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0519 |
Residual factor for significantly intense reflections | 0.042 |
Weighted residual factors for significantly intense reflections | 0.147 |
Weighted residual factors for all reflections included in the refinement | 0.1548 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.206 |
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/4325416.html
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