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Information card for entry 7206597
Preview
Coordinates | 7206597.cif |
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Original paper (by DOI) | HTML |
Formula | C12 H8 Cu3 N14 O6 |
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Calculated formula | C12 H8 Cu3 N14 O6 |
SMILES | c1cccc2n1=[O][Cu]1([N](=N#N)[Cu]4([N]1=N#N)[N](=N#N)[Cu]1([N]4=N#N)[O]=n3ccccc3C(=O)O1)OC2=O |
Title of publication | Two azido-bridged copper(ii) coordination polymers with isonicotinate-N-oxide and picolinate-N-oxide acting as co-ligands |
Authors of publication | Gao, Qian; Xie, Ya-Bo; Thorstad, Melissa; Sun, Ji-Hong; Cui, Yue; Zhou, Hong-Cai |
Journal of publication | CrystEngComm |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 22 |
Pages of publication | 6787 |
a | 5.2676 ± 0.0011 Å |
b | 10.446 ± 0.002 Å |
c | 10.739 ± 0.002 Å |
α | 116.41 ± 0.03° |
β | 103.82 ± 0.03° |
γ | 92.64 ± 0.03° |
Cell volume | 506 ± 0.2 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 | 0.0326 |
Residual factor for significantly intense reflections | 0.0269 |
Weighted residual factors for significantly intense reflections | 0.0728 |
Weighted residual factors for all reflections included in the refinement | 0.0748 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.16 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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