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Information card for entry 7705651
Preview
Coordinates | 7705651.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C65 H63 I2 Ir N6 O2 P2 Pd |
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Calculated formula | C65 H63 I2 Ir N6 O2 P2 Pd |
SMILES | I[Ir]12345(c6c(cc(CN7C8=C(N(C(=O)N(C8=O)C)C)NC7=[Pd](I)([P](c7ccccc7)(c7ccccc7)c7ccccc7)[P](c7ccccc7)(c7ccccc7)c7ccccc7)cc6)Cn6c1[n+](cc6)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C |
Title of publication | Chemoselective synthesis of heterobimetallic bis-NHC complexes. |
Authors of publication | Dutschke, Patrick D.; Bente, Stefanie; Daniliuc, Constantin G.; Kinas, Jenny; Hepp, Alexander; Hahn, F. Ekkehardt |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2020 |
Journal volume | 49 |
Journal issue | 41 |
Pages of publication | 14388 - 14392 |
a | 24.6695 ± 0.0006 Å |
b | 13.7796 ± 0.0003 Å |
c | 24.9858 ± 0.0006 Å |
α | 90° |
β | 110.622 ± 0.001° |
γ | 90° |
Cell volume | 7949.3 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0828 |
Residual factor for significantly intense reflections | 0.0514 |
Weighted residual factors for significantly intense reflections | 0.1184 |
Weighted residual factors for all reflections included in the refinement | 0.1334 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.979 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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