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Information card for entry 2300389
Preview
Coordinates | 2300389.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H33 N3 O6 Pd S3 |
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Calculated formula | C33 H33 N3 O6 Pd S3 |
SMILES | C1[C]2#[C]3CN(C[C]4#[C]5CN(C[C]6#[C](CN1S(=O)(=O)c1ccc(C)cc1)[Pd]23456)S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 |
Title of publication | Focusing optics for molybdenum radiation: a bright laboratory source for small-molecule crystallography |
Authors of publication | Coles, Simon J.; Hursthouse, Michael B. |
Journal of publication | Journal of Applied Crystallography |
Year of publication | 2004 |
Journal volume | 37 |
Journal issue | 6 |
Pages of publication | 988 |
a | 8.5627 ± 0.0002 Å |
b | 10.4508 ± 0.0006 Å |
c | 35.5429 ± 0.0017 Å |
α | 90° |
β | 94.294 ± 0.003° |
γ | 90° |
Cell volume | 3171.7 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0461 |
Residual factor for significantly intense reflections | 0.0388 |
Weighted residual factors for significantly intense reflections | 0.0982 |
Weighted residual factors for all reflections included in the refinement | 0.1104 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.811 |
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/2300389.html
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