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Information card for entry 1100168
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1100168.cif |
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Original paper (by DOI) | HTML |
Formula | C14 H12 Br2 N8 O4 Pd |
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Calculated formula | C14 H12 Br2 N8 O4 Pd |
SMILES | [Pd](Br)(Br)([n]1ccnc2N(C)C(=O)NC(=O)c12)[n]1ccnc2N(C)C(=O)NC(=O)c12 |
Authors of publication | Esther R. Acuna-Cueva; Rene Faure; Nuria A. Illan-Cabeza; Sonia B. Jimenez-Pulido; Miguel N. Moreno-Carretero; Miguel Quiros |
Journal of publication | Polyhedron |
Year of publication | 2003 |
Journal volume | 22 |
Pages of publication | 483 - 488 |
a | 6.5185 ± 0.0009 Å |
b | 7.5119 ± 0.0011 Å |
c | 10.7736 ± 0.0009 Å |
α | 94.351 ± 0.01° |
β | 106.036 ± 0.008° |
γ | 109.334 ± 0.014° |
Cell volume | 470.21 ± 0.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0953 |
Residual factor for significantly intense reflections | 0.072 |
Weighted residual factors for significantly intense reflections | 0.1998 |
Weighted residual factors for all reflections included in the refinement | 0.2209 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
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/1100168.html
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Users of the data should acknowledge the original authors of the
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