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Crystal data for SIMOF-1: tetragonal P412 12, a, 11.1813(4) Å, c, 31.552(1) Å, V, 3944.7(3) Å3, R1 (3599 reflections, 0.025, wR2 (3738 reflections, 0.062. Flack absolute structure parameter, 0.01910, 1419 Friedel pairs measured, with a total Friedel coverage of 61, A total of 10 crystal structure determinations were carried out on crystals picked at random from samples of SIMOF-1. Care was taken to pick crystals that looked as different as possible, with different crystal sizes and slightly different morphologies all sampled. The quality of the refinements was good, and all of the Flack absolute structure parameters measured had values near zero with small standard uncertainties indicating that all the crystals have the same chirality. An incorrect model with the opposite chirality would lead to a Flack parameter of around 1. See Table S1 in the Supporti
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2 (2285 reflections) = 0.159.
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