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Information card for entry 4506042
Preview
Coordinates | 4506042.cif |
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Original paper (by DOI) | HTML |
Formula | C42 H46 N4 O10 Zn |
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Calculated formula | C42 H46 N4 O10 Zn |
SMILES | [Zn]([n]1ccccc1)([n]1ccccc1)(OC(=O)[C@H]1CC[C@H](CN2C(=O)c3ccccc3C2=O)CC1)(OC(=O)[C@H]1CC[C@H](CN2C(=O)c3ccccc3C2=O)CC1)([OH2])[OH2] |
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 | 5.4784 ± 0.0001 Å |
b | 13.0745 ± 0.0004 Å |
c | 15.1085 ± 0.0006 Å |
α | 112.077 ± 0.002° |
β | 94.582 ± 0.002° |
γ | 100.659 ± 0.001° |
Cell volume | 972.18 ± 0.05 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0335 |
Residual factor for significantly intense reflections | 0.0304 |
Weighted residual factors for significantly intense reflections | 0.0813 |
Weighted residual factors for all reflections included in the refinement | 0.0831 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4506042.html
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