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Information card for entry 4506041
Preview
Coordinates | 4506041.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H44 Cu N4 O9 |
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Calculated formula | C42 H44 Cu N4 O9 |
SMILES | C(=O)([C@H]1CC[C@H](CN2C(=O)c3ccccc3C2=O)CC1)O[Cu]([OH2])([n]1ccccc1)([n]1ccccc1)OC(=O)[C@H]1CC[C@H](CN2C(=O)c3ccccc3C2=O)CC1 |
Title of publication | Metal(II) Complexes Derived from Conformation Flexible Cyclic Imide Tethered Carboxylic Acids: Syntheses, Supramolecular Structures, and Molecular Properties |
Authors of publication | Singh, Devendra; Baruah, Jubaraj B. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2012 |
Journal volume | 12 |
Journal issue | 4 |
Pages of publication | 2109 |
a | 30.798 ± 0.002 Å |
b | 5.634 ± 0.0004 Å |
c | 24.491 ± 0.002 Å |
α | 90° |
β | 114.536 ± 0.006° |
γ | 90° |
Cell volume | 3865.8 ± 0.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0388 |
Residual factor for significantly intense reflections | 0.0331 |
Weighted residual factors for significantly intense reflections | 0.0918 |
Weighted residual factors for all reflections included in the refinement | 0.0945 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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