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Information card for entry 7115068
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Coordinates | 7115068.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [1,3-benzenedicarboxylate-1,2-bis(4-pyridyl)ethane-zinc(II)] benzene solvate |
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Formula | C35 H31 N2 O4 Zn |
Calculated formula | C35 H31 N2 O4 Zn |
Title of publication | Coexisting covalent and noncovalent nets: parallel interpenetration of a puckered rectangular coordination polymer and aromatic noncovalent nets |
Authors of publication | Lu, Jianjiang; Moulton, Brian; Zaworotko, Michael J.; Bourne, Susan A. |
Journal of publication | Chemical Communications |
Year of publication | 2001 |
Journal issue | 9 |
Pages of publication | 861 |
a | 9.6724 ± 0.001 Å |
b | 20.217 ± 0.002 Å |
c | 14.9774 ± 0.0015 Å |
α | 90° |
β | 93.545 ± 0.002° |
γ | 90° |
Cell volume | 2923.2 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.068 |
Residual factor for significantly intense reflections | 0.0406 |
Weighted residual factors for significantly intense reflections | 0.0764 |
Weighted residual factors for all reflections included in the refinement | 0.0817 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.795 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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