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Information card for entry 1502194
Preview
Coordinates | 1502194.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C66 H45.65 N5 Ni O4 |
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Calculated formula | C66 H45.65 N5 Ni O4 |
SMILES | c12=C(c3ccc4=C(c5c6c(c7C(=c8ccc9C(=c(c(c1)N(=O)=O)n2[Ni]([n]89)(n57)[n]34)c1ccc(cc1)C)c1ccc(cc1)C)cc1c2c(c3c(cc(cc3)OC)c1c6)c(ccc2)OC)c1ccc(C)cc1)c1ccc(C)cc1 |
Title of publication | Triphenylene-fused porphyrins. |
Authors of publication | Jiang, Lin; Engle, James T.; Sirk, Laura; Hartley, C. Scott; Ziegler, Christopher J.; Wang, Hong |
Journal of publication | Organic letters |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 12 |
Pages of publication | 3020 - 3023 |
a | 13.96 ± 0.002 Å |
b | 14.0133 ± 0.0011 Å |
c | 16.0894 ± 0.0013 Å |
α | 112.417 ± 0.005° |
β | 107.325 ± 0.007° |
γ | 97.545 ± 0.007° |
Cell volume | 2668.6 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.1262 |
Residual factor for significantly intense reflections | 0.0868 |
Weighted residual factors for significantly intense reflections | 0.2548 |
Weighted residual factors for all reflections included in the refinement | 0.2716 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.652 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1502194.html
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