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In particular, the coarsest common refinement is given by the sample space or decomposition formed by all nonzero products of the form $P_jQ_k$, and the corresponding event algebra contains all the projectors in the original algebras along with the additional ones constructed from their products.
A summary of the relevant statistics of the data collection and refinement is given in Table 1.
A summary of the crystallographic data and refinement is given in Supporting Table 1, Supporting Information.
A summary of the crystallographic data and refinement is given in Table 1 of the Supporting Information.
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The details of the crystal structure and data refinement are given in Table 2.
The refinement showed a good fit between observed and calculated patterns, and cell dimensions obtained from this refinement are given in Table 1.
Relevant statistics of the data collection and model refinement are given in Table 3.
Adaptations and new procedures developed for ensemble refinement are given in section 'Ensemble refinement methods'.
The output energies corresponding to 10 minimum energy structures obtained from Xplor-NIH refinement are given in the Supporting Information (Table S1).
Crystal data and structure refinement details (see the Supporting Information, Table S4), selected bond distances and angles (Table S5) and details about the X-ray crystal structure refinement are given in the Supporting Information.
All the details of the measurement, crystal data and structure refinement are given in Table 1 ▶. 1 Structural optimizations were performed at the density functional theory (DFT) level with B3LYP/6-311 d,p) hybrid functional, and the locations of the true minima were confirmed by vibrational analysis using GAUSSIAN09 (Frisch et al., 2009 ▶).
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