PLAT770 Type_2 Test for suspect C-H bonds in CIF (Not caught otherwise)

Report on unusual C-H bonds not caught in other tests.

(http://journals.iucr.org/services/cif/checking/PLAT770.html)

例：PLAT770_ALERT_2_A Suspect C-H Bond in CIF: C14 -- H16D .. 1.31 Ang.

警告原因：C14-H16D鍵鍵長值可疑。

解決策略：檢查無序處理是否正確，刪除氫重新加氫。

PLAT771 Type_2 Test for suspect N-H bonds in CIF (Not caught otherwise)

Report on unusual N-H bonds not caught in other tests.

(http://journals.iucr.org/services/cif/checking/PLAT771.html)

警告原因：N-H鍵鍵長值可疑。

解決策略：對其鍵長進行限制。

PLAT772 Type_2 Test for suspect O-H bonds in CIF (Not caught otherwise)

Report on unusual O-H bonds not caught in other tests.

Note: Exceptions can be H-atoms in acid O..H..O bridges or in H5O2+ (Hydronium) species.

(http://journals.iucr.org/services/cif/checking/PLAT772.html)

例：PLAT772_ALERT_2_A Suspect O-H Bond in CIF: O3 -- H31 .. 2.22 Ang.

警告原因：O3-H31鍵鍵長值可疑。

解決策略：對其鍵長進行限制。

PLAT773 Type_2 Test for suspect C-C bonds in CIF (Not caught otherwise)

Report on unusual C-C bonds, possibly? not caught in other tests. Exceptions include C-C distances of around 1.75 Ang. in e.g. 1,2-dicarba-closo-dodecaborane.

(http://journals.iucr.org/services/cif/checking/PLAT773.html)

例：PLAT773_ALERT_2_A Suspect C-C Bond in CIF: C2 -- C1.. 1.78 Ang.

警告原因：C2-C1鍵鍵長值可疑。

解決策略：對其鍵長進行限制。

PLAT774 Type_1 Test for too large / erroneous bond distance

Likely Erroneous Bond Entry.

(http://journals.iucr.org/services/cif/checking/PLAT774.html)

例1：PLAT774_ALERT_1_B Suspect X-Y Bond in CIF: SR1 -- SR1.. 4.61 Ang.

例2：PLAT774_ALERT_1_C Suspect X-Y Bond in CIF: MO1 -- K1 .. 3.70 Ang.

警告原因：SR1-SR1(例1)/MO1-K1(例2)鍵鍵長可疑。

解決策略：可以不處理，有合理解釋即可。若非要處理，可以在CIF中將相應(yīng)鍵長這一行刪除。

PLAT775 Type_1 Test for too large / erroneous Contact distance

Likely Erroneous Contact Entry.

(http://journals.iucr.org/services/cif/checking/PLAT775.html)

警告原因：結(jié)構(gòu)中有某個或某些鍵鍵長可疑。

解決策略：可以不處理，有合理解釋即可。若非要處理，可以在CIF中將相應(yīng)鍵長這一行刪除。

PLAT776 Type_1 Test for too large / erroneous H-Bond D-H distance

Likely Erroneous D-H Entry.

(http://journals.iucr.org/services/cif/checking/PLAT776.html)

警告原因：結(jié)構(gòu)中有某個或某些鍵鍵長可疑。

解決策略：可以不處理，有合理解釋即可。若非要處理，可以在CIF中將相應(yīng)鍵長這一行刪除。

PLAT777 Type_2 Check for N..H..X+ bonds in CIF

Report N-H distance in special N..H..X+ bonds. The N .. X distance is expected to be shorter than in a standard hydrogen bond.

(https://journals.iucr.org/services/cif/checking/PLAT777.html)

警告原因：結(jié)構(gòu)中有某個或某些鍵鍵長可疑。

解決策略：可以不處理，有合理解釋即可。若非要處理，可以在CIF中將相應(yīng)鍵長這一行刪除。

PLAT778 Type_2 Check for O..H..X+ bonds in CIF

Report O-H distance in special O..H..X+ bonds. The O .. X distance is expected to be shorter than in a standard hydrogen bond.

(https://journals.iucr.org/services/cif/checking/PLAT778.html)

警告原因：結(jié)構(gòu)中有某個或某些鍵鍵長可疑。

解決策略：可以不處理，有合理解釋即可。若非要處理，可以在CIF中將相應(yīng)鍵長這一行刪除。

PLAT779 Type_4 Test for suspect Angle in CIF (Not caught otherwise)

Possibly erroneous (Bond)angle less than 45 degree. The angle might be considered for elimination from the CIF when irrelevant. This ALERT can also be triggered when the assigned occupancy factors are incorrect.

(http://journals.iucr.org/services/cif/checking/PLAT779.html)

例：PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF ...... 32.00 Deg.

警告原因：鍵角值可疑。

解決策略：多是由于無序處理不好導(dǎo)致連通性不正常，重新無序處理精修生成cif文件。