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Information card for entry 4022338
Preview
Coordinates | 4022338.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C82 H126 Cl4 N4 Ni Si4 |
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Calculated formula | C81.852 H125.851 Cl3.592 N4 Ni Si4 |
Title of publication | Contracted and Expanded meso-Alkynyl Porphyrinoids: from Triphyrin to Hexaphyrin |
Authors of publication | Alexander Krivokapic; Andrew R. Cowley; Harry L. Anderson |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2003 |
Journal volume | 68 |
Pages of publication | 1089 - 1096 |
a | 15.4377 ± 0.0002 Å |
b | 17.0745 ± 0.0002 Å |
c | 18.5033 ± 0.0002 Å |
α | 77.8713 ± 0.0005° |
β | 89.7279 ± 0.0006° |
γ | 63.8827 ± 0.0007° |
Cell volume | 4260.11 ± 0.09 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.099 |
Residual factor for significantly intense reflections | 0.0506 |
Weighted residual factors for all reflections | 0.1148 |
Weighted residual factors for significantly intense reflections | 0.0599 |
Weighted residual factors for all reflections included in the refinement | 0.0598 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0496 |
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/4022338.html
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