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Information card for entry 1517049
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1517049.cif |
---|
Formula | C34 H28 Cu2 N2 O12 |
---|---|
Calculated formula | C34 H28 Cu2 N2 O12 |
SMILES | [Cu]1234([n]5cc(ncc5C)C)[O]=C(O[Cu]2([O]=C(O1)c1ccccc1)(OC(=[O]3)c1ccccc1)(OC(=[O]4)c1ccccc1)[n]1cc([n]([Cu]2345[O]=C(O[Cu]3([O]=C(O2)c2ccccc2)(OC(=[O]4)c2ccccc2)OC(=[O]5)c2ccccc2)c2ccccc2)cc1C)C)c1ccccc1.O.O.O.O.O.O.O.O |
Title of publication | Catalytic transesterification reactions of one-dimensional coordination polymers containing paddle-wheel-type units connected by various bridging ligands |
Authors of publication | In Hong Hwang; Young Dan Jo; Hyun Kim; Kyeong Beom Kim; Kwang-Deog Jung; Cheal Kim; Youngmee Kim; Sung-Jin Kim |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2013 |
Journal volume | 402 |
Pages of publication | 39 - 45 |
a | 11.104 ± 0.002 Å |
b | 9.78 ± 0.002 Å |
c | 18.453 ± 0.004 Å |
α | 90° |
β | 97.12 ± 0.03° |
γ | 90° |
Cell volume | 1988.5 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.1279 |
Residual factor for significantly intense reflections | 0.0733 |
Weighted residual factors for significantly intense reflections | 0.1722 |
Weighted residual factors for all reflections included in the refinement | 0.2031 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.967 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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