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ÇëÎʸßÊÖ£¬ÎÒ¸ÃÈçºÎ»Ø´ð£¿Ð»Ð»»Ø¸´ A Z of 5 makes no chemical sense for both 1 and 2. wR2 for 1 is inordinately high. Please provide an explanation. Were the solvent molecules in 1 modeled successfully? Or was the structure only solvable using SQUEEZE to account for the electron density of the solvent? |
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ÖÁ×ðľ³æ (ÖªÃû×÷¼Ò)
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