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Information card for entry 4060224
Preview
Coordinates | 4060224.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H52 B20 P2 Pd Si2 |
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Calculated formula | C32 H52 B20 P2 Pd Si2 |
SMILES | [Pd]12([P]([C]3456[C]789([Si]1(C)C)[BH]1%103[BH]3%117[BH]7%128[BH]849[BH]49%12[BH]%12%117[BH]7%103[BH]351[BH]684[BH]9%1273)(c1ccccc1)c1ccccc1)[P]([C]1345[C]678([Si]2(C)C)[BH]291[BH]1%106[BH]6%117[BH]738[BH]38%11[BH]%11%106[BH]691[BH]142[BH]573[BH]8%1161)(c1ccccc1)c1ccccc1 |
Title of publication | Synthesis, Structure, and DFT Calculation of (Phosphino-o-carboranyl)silyl Group 10 Metal Complexes: Formation of Stable trans-Bis(P,Si-chelate)metal Complexes |
Authors of publication | Young-Joo Lee; Jong-Dae Lee; Sung-Joon Kim; Samrok Keum; Jaejung Ko; Il-Hwan Suh; Minserk Cheong; Sang Ook Kang |
Journal of publication | Organometallics |
Year of publication | 2004 |
Journal volume | 23 |
Pages of publication | 203 - 214 |
a | 11.8802 ± 0.0012 Å |
b | 15.6451 ± 0.0011 Å |
c | 23.4052 ± 0.0017 Å |
α | 90° |
β | 93.557 ± 0.007° |
γ | 90° |
Cell volume | 4341.9 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.1218 |
Residual factor for significantly intense reflections | 0.0614 |
Weighted residual factors for significantly intense reflections | 0.1624 |
Weighted residual factors for all reflections included in the refinement | 0.208 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation wavelength | 0.7107 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/4060224.html
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Users of the data should acknowledge the original authors of the
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