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Information card for entry 4505823
Preview
Coordinates | 4505823.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H16 N2 O12 Zn2 |
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Calculated formula | C14 H15 N2 O11.5 Zn2 |
Title of publication | An Unforeseen Chemical Rearrangement of Pyridinecarboxylate to Oxalate under Hydrothermal Conditions Afforded the First Oxalato and Isonicotinato Mixed-Ligand Guest-Inclusion Coordination Polymer |
Authors of publication | Lu, Jack Y.; Macias, Jose; Lu, Jiageng; Cmaidalka, Jared E. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2002 |
Journal volume | 2 |
Journal issue | 6 |
Pages of publication | 485 |
a | 8.3023 ± 0.0004 Å |
b | 15.5573 ± 0.0008 Å |
c | 7.3435 ± 0.0004 Å |
α | 90° |
β | 94.351 ± 0.001° |
γ | 90° |
Cell volume | 945.76 ± 0.08 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 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 | 0.0247 |
Residual factor for significantly intense reflections | 0.0224 |
Weighted residual factors for significantly intense reflections | 0.0622 |
Weighted residual factors for all reflections included in the refinement | 0.0645 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4505823.html
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