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Information card for entry 1520416
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Coordinates | 1520416.cif |
---|
Formula | C22 H25 Cl N5 O P Pd |
---|---|
Calculated formula | C22 H25 Cl N5 O P Pd |
SMILES | C1C(=O)N(c2ccccc2C2c3ccccc3[Pd]([N]1=2)([P]12CN3CN(C1)CN(C2)C3)Cl)C |
Title of publication | C22H25ClN5OPPd |
Authors of publication | Spencer, John; Callear, Samantha K.; Hursthouse, Michael B. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2009 |
Pages of publication | 641 |
a | 8.8363 ± 0.0004 Å |
b | 10.2749 ± 0.0003 Å |
c | 11.6567 ± 0.0005 Å |
α | 86.643 ± 0.003° |
β | 86.468 ± 0.002° |
γ | 86.435 ± 0.002° |
Cell volume | 1052.69 ± 0.07 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 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 | 0.0686 |
Residual factor for significantly intense reflections | 0.0532 |
Weighted residual factors for significantly intense reflections | 0.1018 |
Weighted residual factors for all reflections included in the refinement | 0.1097 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.124 |
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/1520416.html
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