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Information card for entry 7101421
Preview
Coordinates | 7101421.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H60 B2 N12 O4 Pd S4 W2 |
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Calculated formula | C52 H60 B2 N12 O4 Pd S4 W2 |
SMILES | [C]12#[C](S[Pd]3(S1)S[C]1#[C](S3)[W]341(C#[O])(C#[O])[n]1c(C)cc(C)n1[BH](n1[n]3c(C)cc1C)n1[n]4c(C)cc1C)[W]132(C#[O])(C#[O])[n]2c(C)cc(n2[BH](n2c(cc(C)[n]32)C)n2[n]1c(C)cc2C)C.Cc1ccccc1.Cc1ccccc1 |
Title of publication | Acetylenedithiolate alkyne complex formation renders it a dithiolate chelate ligand |
Authors of publication | Wolfram Willy Seidel; Tania Pape; Markus Schaffrath |
Journal of publication | Chemical Communications |
Year of publication | 2006 |
Journal issue | 38 |
a | 10.19 ± 0.0017 Å |
b | 18.993 ± 0.003 Å |
c | 15.757 ± 0.003 Å |
α | 90° |
β | 101.582 ± 0.003° |
γ | 90° |
Cell volume | 2987.5 ± 0.9 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 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 | 0.055 |
Residual factor for significantly intense reflections | 0.0346 |
Weighted residual factors for significantly intense reflections | 0.0669 |
Weighted residual factors for all reflections included in the refinement | 0.0734 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
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/7101421.html
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