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Information card for entry 4070512
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4070512.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H42 B8 I2 O P2 Pt |
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Calculated formula | C31 H42 B8 I2 O P2 Pt |
SMILES | [Pt]123([P](c4ccccc4)(c4ccccc4)CC[P]1(c1ccccc1)c1ccccc1)[B]145(OCCCCI)[BH]678[BH]9%10%11[CH2]([BH]%127%10[BH]358[H]%12)[BH]35%11[BH]169[B]243(I)[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 | 10.086 ± 0.002 Å |
b | 11.493 ± 0.002 Å |
c | 17.784 ± 0.004 Å |
α | 77.85 ± 0.03° |
β | 74.33 ± 0.03° |
γ | 71.97 ± 0.03° |
Cell volume | 1869.2 ± 0.8 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0335 |
Residual factor for significantly intense reflections | 0.0281 |
Weighted residual factors for significantly intense reflections | 0.066 |
Weighted residual factors for all reflections included in the refinement | 0.0688 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
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/4070512.html
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Users of the data should acknowledge the original authors of the
structural data.