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  • $\begingroup$ @Martin-マーチン strictly speaking, this crystal structure has been measured at -100 °C. Even though it shouldn't affect the bond distances much, but this is one thing to keep in mind when replicating the geometry with computational methods. Also, there is one weak spot in this crystal structure: G00F is way off (1.655 vs 1, ideally). $\endgroup$
    – andselisk
    Commented Jan 17, 2018 at 21:29
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    $\begingroup$ I think this is the way more impressive find than the desperate attempt I came up with... you'll get my bounty tomorrow ;) $\endgroup$ Commented Jan 29, 2018 at 16:38
  • $\begingroup$ @Martin-マーチン Too bad that no one else participated in this. $\endgroup$
    – EJC
    Commented Jan 29, 2018 at 21:39