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Information card for entry 4082221
Preview
Coordinates | 4082221.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H52 Br Cl4 N3 O7 Pd |
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Calculated formula | C54 H48 Br Cl4 N3 O7 Pd |
Title of publication | Insertion Reactions of Six-Membered CyclopalladatedN,N′,N″-Triarylguanidine, [Pd{κ2(C,N)-C6H3Me-3(NHC(NHAr)(═NAr))-2}(μ-Br)]2(Ar = 2-MeC6H4) with PhC≡C—C(O)OR (R = Me and Et): A Gateway to Second Orthopalladation through Novel Rearrangements |
Authors of publication | Saxena, Priya; Thirupathi, Natesan; Nethaji, Munirathinam |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 24 |
Pages of publication | 7580 |
a | 15.656 ± 0.005 Å |
b | 12.866 ± 0.005 Å |
c | 26.106 ± 0.004 Å |
α | 90° |
β | 94.479 ± 0.005° |
γ | 90° |
Cell volume | 5242 ± 3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1247 |
Residual factor for significantly intense reflections | 0.071 |
Weighted residual factors for significantly intense reflections | 0.1975 |
Weighted residual factors for all reflections included in the refinement | 0.2323 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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