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(a) The composition was determined by X-ray crystallography,
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1H NMR spectroscopy of dissolved samples.
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19944414605
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The dimensions of a channel in a particular direction correspond to those of an imaginary cylinder that could be passed through the hypothetical open network in the given direction in contact with the van der Waals surface. Such values are inherently conservative because (1) they measure the cross section at the most narrow constriction and (2) they systematically underestimate the sizes of channels that are not uniform and linear.
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19944404192
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107
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19944363801
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C-H⋯N interactions are considered significant if they have H⋯N distances less than or equal to 2.65 Å.
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Other C-H⋯O interactions can be considered to be present if the criteria are changed and longer H⋯O distances are accepted. If allowable H⋯O distances can reach 2.70 Å, then molecule A would have C-H⋯O interactions with 6 neighbors and molecule B with 8 neighbors (see the Supporting Information).
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