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Information card for entry 4082223
Preview
Coordinates | 4082223.cif |
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Original paper (by DOI) | HTML |
Formula | C55 H52 Br N3 O6 Pd |
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Calculated formula | C55 H37 Br N3 O6 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 | 10.845 ± 0.005 Å |
b | 32.09 ± 0.005 Å |
c | 13.983 ± 0.006 Å |
α | 90° |
β | 92.981 ± 0.005° |
γ | 90° |
Cell volume | 4860 ± 3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0524 |
Residual factor for significantly intense reflections | 0.043 |
Weighted residual factors for significantly intense reflections | 0.1066 |
Weighted residual factors for all reflections included in the refinement | 0.111 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4082223.html
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