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Information card for entry 4108870
Preview
Coordinates | 4108870.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H38 Cl2 Cu N4 O10 |
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Calculated formula | C33 H38 Cl2 Cu N4 O11 |
SMILES | c12cc(C(=O)[O-])cc[n]2[Cu]2(OC1=O)([OH2])([n]1c(cc(cc1)C(=O)[O-])C(=O)O2)[OH2].O=C(C)C.c1cc(Cl)ccc1CC[NH3+].C(Cc1ccc(cc1)Cl)[NH3+] |
Title of publication | Guest Inclusion and Structural Dynamics in 2-D Hydrogen-Bonded Metal-Organic Frameworks |
Authors of publication | Chun-Long Chen; Alicia M. Beatty |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 17222 - 17223 |
a | 20.36 ± 0.009 Å |
b | 6.236 ± 0.003 Å |
c | 27.844 ± 0.012 Å |
α | 90° |
β | 94.643 ± 0.008° |
γ | 90° |
Cell volume | 3524 ± 3 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0704 |
Residual factor for significantly intense reflections | 0.0379 |
Weighted residual factors for significantly intense reflections | 0.0811 |
Weighted residual factors for all reflections included in the refinement | 0.0961 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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