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Information card for entry 7216588
Preview
Coordinates | 7216588.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H42 Cu3 N14 O8 |
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Calculated formula | C54 H42 Cu3 N14 O8 |
SMILES | c1cccc2[n]1[Cu]1([n]3c(N2)cccc3)[n]2ccccc2Nc2[n]1cccc2.O1[Cu]2([n]3c(ccc(c3)C(=O)[O-])C1=O)[n]1c(ccc(c1)C(=O)[O-])C(=O)O2.c1cccc2[n]1[Cu]1([n]3c(N2)cccc3)[n]2ccccc2Nc2[n]1cccc2 |
Title of publication | Two Cu(ii) complexes synthesized by using a solid-state compound with an extended crystal structure as the copper-ion source |
Authors of publication | Lu, Jack Y.; Schauss, Vaughn |
Journal of publication | CrystEngComm |
Year of publication | 2002 |
Journal volume | 4 |
Journal issue | 105 |
Pages of publication | 623 |
a | 7.5427 ± 0.0003 Å |
b | 12.6346 ± 0.0006 Å |
c | 13.8675 ± 0.0006 Å |
α | 79.491 ± 0.001° |
β | 83.787 ± 0.001° |
γ | 81.277 ± 0.001° |
Cell volume | 1279.94 ± 0.1 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 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 | 0.035 |
Residual factor for significantly intense reflections | 0.0264 |
Weighted residual factors for significantly intense reflections | 0.0682 |
Weighted residual factors for all reflections included in the refinement | 0.073 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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