CheckCIF-PLAT710-718

PLAT710 Type_4 Test for Linear Torsions in CIF

Torsion angles specified in the CIF are checked for the 'linear variety' where one or both of the 1-2-3 and 2-3-4 bond angles are close to 180 Deg. SHELXL97 will generate those 'torsions' for molecules containing linear moieties (E.g. Metal-C=O).

(http://journals.iucr.org/services/cif/checking/PLAT710.html)

例：PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle

警告原因：给出键角和扭角不合理。

解决策略：在CIF中直接删除即可。

PLAT711 Type_1 Test for label problems for Bonds in CIF

When labels are found on geometry items (bonds, angles etc.) that are not in the coordinate list, and alert _71n is issued, related to alert _70n.

(http://journals.iucr.org/services/cif/checking/PLAT711.html)

警告原因：原子标号不标准。

解决策略：将原子标号改成Cu1类似格式，而不是Cu01，H0A等类似格式。

PLAT712 Type_1 Test for label problem for Angles in CIF

When labels are found on geometry items (bonds, angles etc.) that are not in the coordinate list, and alert _71n is issued, related to alert _70n.

(http://journals.iucr.org/services/cif/checking/PLAT712.html)

警告原因：原子标号不标准。

解决策略：将原子标号改成Cu1类似格式，而不是Cu01，H0A等类似格式。

PLAT713 Type_1 Test for label problem for Torsions in CIF

When labels are found on geometry items (bonds, angles etc.) that are not in the coordinate list, and alert _71n is issued, related to alert _70n.

(http://journals.iucr.org/services/cif/checking/PLAT713.html)

警告原因：原子标号不标准。

解决策略：将原子标号改成Cu1类似格式，而不是Cu01，H0A等类似格式。

PLAT714 Type_1 Test for label problem for Contact Distances in CIF

When labels are found on geometry items (bonds, angles etc.) that are not in the coordinate list, and alert _71n is issued, related to alert _70n.

(http://journals.iucr.org/services/cif/checking/PLAT714.html)

警告原因：原子标号不标准。

解决策略：将原子标号改成Cu1类似格式，而不是Cu01，H0A等类似格式。

PLAT715 Type_1 Test for label problem for H-Bond D-H distances in CIF

When labels are found on geometry items (bonds, angles etc.) that are not in the coordinate list, and alert _71n is issued, related to alert _70n.

(http://journals.iucr.org/services/cif/checking/PLAT715.html)

警告原因：原子标号不标准。

解决策略：将原子标号改成Cu1类似格式，而不是Cu01，H0A等类似格式。

PLAT716 Type_1 Test for label problem for H-Bond H..A Distances in CIF

When labels are found on geometry items (bonds, angles etc.) that are not in the coordinate list, and alert _71n is issued, related to alert _70n.

(http://journals.iucr.org/services/cif/checking/PLAT716.html)

警告原因：原子标号不标准。

解决策略：将原子标号改成Cu1类似格式，而不是Cu01，H0A等类似格式。

PLAT717 Type_1 Test for label problem for H-Bond D..A Distances in CIF

When labels are found on geometry items (bonds, angles etc.) that are not in the coordinate list, and alert _71n is issued, related to alert _70n.

(http://journals.iucr.org/services/cif/checking/PLAT717.html)

警告原因：原子标号不标准。

解决策略：将原子标号改成Cu1类似格式，而不是Cu01，H0A等类似格式。

PLAT718 Type_1 Test for label problem for H-Bond D-H..A Angles in CIF

When labels are found on geometry items (bonds, angles etc.) that are not in the coordinate list, and alert _71n is issued, related to alert _70n.

(http://journals.iucr.org/services/cif/checking/PLAT718.html)

警告原因：原子标号不标准。

解决策略：将原子标号改成Cu1类似格式，而不是Cu01，H0A等类似格式。