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Information card for entry 4324696
Preview
Coordinates | 4324696.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H23 Cl3 N9 O P Pd |
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Calculated formula | C18 H23 Cl3 N9 O P Pd |
SMILES | [Pd]12([n]3n(C4N1C(n1[n]2c(cc1C)C)=NP(=O)(N=4)n1nc(C)cc1C)c(C)cc3C)Cl.C(Cl)Cl |
Title of publication | Carbophosphazene-Supported Ligand Systems Containing Pyrazole/Guanidine Coordinating Groups |
Authors of publication | Vadapalli Chandrasekhar; Venkatasubbiah Krishnan; Ramachandran Azhakar; Tapas Senapati; Atanu Dey; R. Suriya Narayanan |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 2568 - 2579 |
a | 9.428 ± 0.005 Å |
b | 10.069 ± 0.005 Å |
c | 13.778 ± 0.005 Å |
α | 91.341 ± 0.005° |
β | 106.311 ± 0.005° |
γ | 109.631 ± 0.005° |
Cell volume | 1172.3 ± 1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0626 |
Residual factor for significantly intense reflections | 0.0467 |
Weighted residual factors for significantly intense reflections | 0.0982 |
Weighted residual factors for all reflections included in the refinement | 0.1048 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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