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Information card for entry 4512500
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Coordinates | 4512500.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 2 |
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Formula | C78 H54 N6 O30 Pb6 |
Calculated formula | C78 H54 N6 O30 Pb6 |
Title of publication | Role of Ethynyl-Derived Weak Hydrogen-Bond Interactions in the Supramolecular Structures of 1D, 2D, and 3D Coordination Polymers Containing 5-Ethynyl-1,3-benzenedicarboxylate |
Authors of publication | Knichal, Jane V.; Gee, William J.; Burrows, Andrew D.; Raithby, Paul R.; Wilson, Chick C. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2015 |
Journal volume | 15 |
Journal issue | 1 |
Pages of publication | 465 |
a | 10.124 ± 0.0004 Å |
b | 15.0418 ± 0.0005 Å |
c | 15.048 ± 0.0006 Å |
α | 73.172 ± 0.003° |
β | 75.343 ± 0.003° |
γ | 71.172 ± 0.003° |
Cell volume | 2043.59 ± 0.14 Å3 |
Cell temperature | 150 ± 0.1 K |
Ambient diffraction temperature | 150 ± 0.1 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 | 0.0887 |
Residual factor for significantly intense reflections | 0.0596 |
Weighted residual factors for significantly intense reflections | 0.1166 |
Weighted residual factors for all reflections included in the refinement | 0.1298 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
Diffraction radiation probe | x-ray |
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/4512500.html
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