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Information card for entry 4300034
Preview
Coordinates | 4300034.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H10 F8 N6 Pd |
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Calculated formula | C22 H10 F8 N6 Pd |
SMILES | [Pd]1([n]2cnc(cc2[n]2[n]1ccc2)n1nccc1)(c1c(cc(c(c1F)F)F)F)c1c(c(c(cc1F)F)F)F |
Title of publication | Pd(II) Complexes with Polydentate Nitrogen Ligands. Molecular Recognition and Dynamic Behavior Involving Pd-N Bond Rupture. X-ray Molecular Structures of [{Pd(C~6~HF~4~)~2~}(bpzm)] and [{PdΜ^3^-(C~4~H~7~)}~2~(bpzm)]CF~3~SO~3~)~2~ [bpzpm = 4,6-Bis(pyrazol-1-yl)pyrimidine] |
Authors of publication | Felipe Gómez-de la Torre; Antonio de la Hoz; Félix A. Jalón; Blanca R. Manzano; Ana M. Rodríguez; José Elguero; Martín Martínez-Ripoll |
Journal of publication | Inorganic Chemistry |
Year of publication | 2000 |
Journal volume | 39 |
Pages of publication | 1152 - 1162 |
a | 8.845 ± 0.006 Å |
b | 12.6609 ± 0.0009 Å |
c | 12.826 ± 0.003 Å |
α | 88.45 ± 0.02° |
β | 74.36 ± 0.03° |
γ | 89.32 ± 0.02° |
Cell volume | 1382.6 ± 1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1373 |
Residual factor for significantly intense reflections | 0.0798 |
Weighted residual factors for significantly intense reflections | 0.2452 |
Weighted residual factors for all reflections included in the refinement | 0.3077 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
Diffraction radiation wavelength | 0.7107 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/4300034.html
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