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Information card for entry 7016701
Preview
Coordinates | 7016701.cif |
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Original paper (by DOI) | HTML |
Formula | C14 H13.37 B F4 Mo O2.185 S3 |
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Calculated formula | C14 H13.37 B F4 Mo O2.185 S3 |
Title of publication | Indenyl ring slippage in crown thioether complexes [IndMo(CO)(2)L](+) and C-S activation of trithiacyclononane: Experimental and theoretical studies. |
Authors of publication | Gamelas, Carla A.; Bandeira, Nuno A. G.; Pereira, Cláudia C L; Calhorda, Maria José; Herdtweck, Eberhardt; Machuqueiro, Miguel; Romão, Carlos C; Veiros, Luís F |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 40 |
Pages of publication | 10513 - 10525 |
a | 7.584 ± 0.0001 Å |
b | 9.8657 ± 0.0002 Å |
c | 12.4253 ± 0.0002 Å |
α | 96.8789 ± 0.0008° |
β | 102.595 ± 0.0007° |
γ | 98.2379 ± 0.0008° |
Cell volume | 886.9 ± 0.03 Å3 |
Cell temperature | 173 ± 1 K |
Ambient diffraction temperature | 173 ± 1 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 | 0.0242 |
Residual factor for significantly intense reflections | 0.0202 |
Weighted residual factors for significantly intense reflections | 0.0414 |
Weighted residual factors for all reflections included in the refinement | 0.0429 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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