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Structure 1.
The short intermolecular contact O(1)...O(4) (x,y-1,z) 2.56 Ang suggests a hydrogen bond, yet the hydrogens on both these atoms point in different directions, into voids where there are no suitable H-bond acceptors.
======
Structure 2
The bond O(9)-H(9B) points almost directly towards Sr(1), resulting in an impossibly short contact H...Sr of 1.88 Ang.
======
Structure 3
The molecule overlaps with its translational equivalents, resulting in impossibly short contacts O(17)...O(10)(x-1,y-1,z) 1.18 Ang and O(19)...O(14)(x+1,y,z) 1.31 Ang. Furthermore, most atoms fit into space group P-1, with the inversion centre (origin) at x=0.1554, y=0.1270, z=0.0051. Please investigate.
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4Â¥: Originally posted by lich666 at 2015-04-26 18:37:08
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»¯ºÏÎï1ºÍ2µÄ½á¹¹Ã»ÎÊÌ⣬Ôõô¼ÓÇâ²ÅÐÐÄØ Without Acceptor O1 - H1C ... Please Check Ôõô¼ÓÇ⣿
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5Â¥2015-04-26 18:52:49
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2Â¥: Originally posted by lich666 at 2015-04-26 17:35:04
1,2±íʾ¼ÓÇâ¿ÉÄÜÓÐÎÊÌâ¡£
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1£ºPLAT420_ALERT_2_B D-H Without Acceptor O1 - H1C ... Please Check
    PLAT420_ALERT_2_B D-H Without Acceptor O4 - H4B ... Please Check
2£ºPLAT417_ALERT_2_B Short Inter D-H..H-D H5A .. H10A .. 1.95 Ang.
    PLAT417_ALERT_2_B Short Inter D-H..H-D H10A .. H10A .. 1.90 Ang.
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3Â¥2015-04-26 18:32:54
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4Â¥2015-04-26 18:37:08
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