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Information card for entry 4080854
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Coordinates | 4080854.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 1665 [W(PNP-Ph)(CO)3H]BF4 (8a) |
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Chemical name | [W(PNP-Ph)(CO)3H]BF4 (8a) |
Formula | C32 H26 B F4 N3 O3 P2 W |
Calculated formula | C32 H26 B F4 N3 O3 P2 W |
Title of publication | Synthesis and Characterization of Hydrido Carbonyl Molybdenum and Tungsten PNP Pincer Complexes. |
Authors of publication | Oztopcu, Ozgür; Holzhacker, Christian; Puchberger, Michael; Weil, Matthias; Mereiter, Kurt; Veiros, Luis F.; Kirchner, Karl |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 10 |
Pages of publication | 3042 - 3052 |
a | 17.515 ± 0.0004 Å |
b | 15.5022 ± 0.0003 Å |
c | 23.3387 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6336.9 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.026 |
Residual factor for significantly intense reflections | 0.02 |
Weighted residual factors for significantly intense reflections | 0.0385 |
Weighted residual factors for all reflections included in the refinement | 0.0406 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.123 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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