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[Contents scheme]

Acta Cryst. (2013). E69, m59
[ doi:10.1107/S1600536812050623 ]

Bis(4,4'-sulfanediyldipyridinium) tetrachloridonickelate(II) dichloride

J. Werner, I. Jess and C. Näther


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.964 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Ni1 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 70 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 5
Alert level G REFLT03_ALERT_1_G ALERT: Expected hkl max differ from CIF values From the CIF: _diffrn_reflns_theta_max 27.91 From the CIF: _reflns_number_total 3162 From the CIF: _diffrn_reflns_limit_ max hkl 22. 10. 23. From the CIF: _diffrn_reflns_limit_ min hkl -23. -10. -23. TEST1: Expected hkl limits for theta max Calculated maximum hkl 25. 10. 23. Calculated minimum hkl -25. -10. -23. PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 2 PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 2 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 30
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 5 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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