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Information card for entry 4066807
Preview
Coordinates | 4066807.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C90 H92 Cl2 N6 Ni |
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Calculated formula | C90 H92 Cl2 N6 Ni |
SMILES | [Ni]123[n]4c5C(=c6n2c(=C(c2cc(C(C)(C)C)cc(c2)C(C)(C)C)c2[n]3c(=C(c3cc(cc(C(C)(C)C)c3)C(C)(C)C)c3n1c(C(=c4cc5c1ncccc1)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)cc3)cc2)cc6c1ncccc1)c1ccccc1.Clc1ccccc1.Clc1ccccc1 |
Title of publication | Platinum(II) and Platinum(IV) Porphyrin Pincer Complexes: Synthesis, Structures, and Reactivity |
Authors of publication | Yoshida, Keita; Yamaguchi, Shigeru; Osuka, Atsuhiro; Shinokubo, Hiroshi |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 17 |
Pages of publication | 3997 |
a | 12.014 ± 0.005 Å |
b | 33.877 ± 0.005 Å |
c | 18.949 ± 0.005 Å |
α | 90 ± 0.005° |
β | 101.791 ± 0.005° |
γ | 90 ± 0.005° |
Cell volume | 7549 ± 4 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 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 | 0.0831 |
Residual factor for significantly intense reflections | 0.0595 |
Weighted residual factors for significantly intense reflections | 0.1613 |
Weighted residual factors for all reflections included in the refinement | 0.1792 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4066807.html
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Users of the data should acknowledge the original authors of the
structural data.