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Information card for entry 4082700
Preview
Coordinates | 4082700.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C51 H46 Cl2 N2 O2 P2 Pd2 |
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Calculated formula | C51 H46 Cl2 N2 O2 P2 Pd2 |
SMILES | [Pd]12([Cl][Pd]([P](c3ccccc3)(c3ccccc3)c3ccccc3)(Cl)c3c([N]1=Nc1c2cccc1)ccc(OC)c3)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(C)O.C(C)O |
Title of publication | Aging and Ball-Milling as Low-Energy and Environmentally Friendly Methods for the Synthesis of Pd(II) Photosensitizers |
Authors of publication | Juribašić, Marina; Halasz, Ivan; Babić, Darko; Cinčić, Dominik; Plavec, Janez; Ćurić, Manda |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 5 |
Pages of publication | 1227 |
a | 11.5886 ± 0.0007 Å |
b | 9.2766 ± 0.0011 Å |
c | 43.509 ± 0.003 Å |
α | 90° |
β | 94.34 ± 0.005° |
γ | 90° |
Cell volume | 4663.9 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for significantly intense reflections | 0.1035 |
Weighted residual factors for all reflections included in the refinement | 0.2706 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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