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Information card for entry 4114078
Preview
Coordinates | 4114078.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | compound (3) |
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Formula | C34 H40 B Cl2 Ir N6 O10 |
Calculated formula | C34 H40 B Cl2 Ir N6 O10 |
SMILES | [Ir]123(OC(=O)C(=O)OC)([n]4n(c(C)cc4C)[BH](n4[n]1c(cc4C)C)n1[n]2c(cc1C)C)=C(C(=O)OC)C(C(=O)OC)=C(C(=O)OC)c1c3cccc1.ClCCl |
Title of publication | Formation of Unusual Iridabenzene and Metallanaphthalene Containing Electron-Withdrawing Substituents |
Authors of publication | Margarita Paneque; Cristina M. Posadas; Manuel L. Poveda; Nuria Rendón; Verónica Salazar; Enrique Oñate; Kurt Mereiter |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2003 |
Journal volume | 125 |
Pages of publication | 9898 - 9899 |
a | 10.8289 ± 0.0007 Å |
b | 31.296 ± 0.002 Å |
c | 11.2884 ± 0.0007 Å |
α | 90° |
β | 103.605 ± 0.001° |
γ | 90° |
Cell volume | 3718.3 ± 0.4 Å3 |
Cell temperature | 100 ± 0.2 K |
Ambient diffraction temperature | 100 ± 0.2 K |
Number of distinct elements | 7 |
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 | 0.0699 |
Residual factor for significantly intense reflections | 0.0446 |
Weighted residual factors for significantly intense reflections | 0.0905 |
Weighted residual factors for all reflections included in the refinement | 0.0971 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
Diffraction radiation wavelength | 0.71073 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/4114078.html
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