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:給出鍵角和扭角不合理。
解決策略:在CIF中直接刪除即可。
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:原子標(biāo)號(hào)不標(biāo)準(zhǔn)。
解決策略:將原子標(biāo)號(hào)改成Cu1類似格式,而不是Cu01,H0A等類似格式。
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:原子標(biāo)號(hào)不標(biāo)準(zhǔn)。
解決策略:將原子標(biāo)號(hào)改成Cu1類似格式,而不是Cu01,H0A等類似格式。
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:原子標(biāo)號(hào)不標(biāo)準(zhǔn)。
解決策略:將原子標(biāo)號(hào)改成Cu1類似格式,而不是Cu01,H0A等類似格式。
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:原子標(biāo)號(hào)不標(biāo)準(zhǔn)。
解決策略:將原子標(biāo)號(hào)改成Cu1類似格式,而不是Cu01,H0A等類似格式。
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:原子標(biāo)號(hào)不標(biāo)準(zhǔn)。
解決策略:將原子標(biāo)號(hào)改成Cu1類似格式,而不是Cu01,H0A等類似格式。
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:原子標(biāo)號(hào)不標(biāo)準(zhǔn)。
解決策略:將原子標(biāo)號(hào)改成Cu1類似格式,而不是Cu01,H0A等類似格式。
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:原子標(biāo)號(hào)不標(biāo)準(zhǔn)。
解決策略:將原子標(biāo)號(hào)改成Cu1類似格式,而不是Cu01,H0A等類似格式。
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:原子標(biāo)號(hào)不標(biāo)準(zhǔn)。
解決策略:將原子標(biāo)號(hào)改成Cu1類似格式,而不是Cu01,H0A等類似格式。