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Information card for entry 1519125
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1519125.cif |
---|
Formula | C28 H20 As I2 N O3 W |
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Calculated formula | C28 H20 As I2 N O3 W |
SMILES | [W]([As](c1ccccc1)(c1ccccc1)c1ccccc1)(I)(I)([N]#Cc1ccccc1)(C#[O])(C#[O])C#[O] |
Title of publication | C28H20NO3I2AsW |
Authors of publication | Baker, P; Hursthouse, Michael B. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 1993 |
Pages of publication | 1023 |
a | 10.543 ± 0.0003 Å |
b | 16.315 ± 0.0007 Å |
c | 18.895 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3250.1 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0583 |
Residual factor for significantly intense reflections | 0.0438 |
Weighted residual factors for significantly intense reflections | 0.1246 |
Weighted residual factors for all reflections included in the refinement | 0.1433 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.495 |
Diffraction radiation wavelength | 0.71069 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/1519125.html
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