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Information card for entry 4070510
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4070510.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H34 B8 I2 N2 Pt |
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Calculated formula | C17 H34 B8 I2 N2 Pt |
SMILES | [Pt]12(I)(I)(C#[N]C(C)(C)C)(C#[N]C(C)(C)C)[BH]345[BH]678[BH]9%10%11[CH](c%12ccccc%12)([BH]%127%10[BH]258[H]%12)[BH]25%11[BH]369[BH]142[H]5 |
Title of publication | Synthesis and Reactivity of 10-Vertexarachno-Platinacarboranes |
Authors of publication | Carr, Michael J.; McGrath, Thomas D.; Stone, F. Gordon A. |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 9 |
Pages of publication | 2099 |
a | 14.3012 ± 0.0011 Å |
b | 10.3809 ± 0.0007 Å |
c | 22.6397 ± 0.0014 Å |
α | 90° |
β | 125.297 ± 0.004° |
γ | 90° |
Cell volume | 2743.2 ± 0.4 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0511 |
Residual factor for significantly intense reflections | 0.0295 |
Weighted residual factors for significantly intense reflections | 0.0469 |
Weighted residual factors for all reflections included in the refinement | 0.0529 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
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/4070510.html
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Users of the data should acknowledge the original authors of the
structural data.