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Acta Cryst. (2014). E70, m6  [ doi:10.1107/S1600536813032558 ]

Bis(4-amino­pyridinium) hexa­aqua­nickel(II) bis­(sulfate)

T. Sahbani, W. Smirani Sta and M. Rzaigui


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Alert level C PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 21 PLAT918_ALERT_3_C Reflection(s) # with I(obs) much smaller I(calc) 1 Check PLAT922_ALERT_1_C wR2 in the CIF and FCF Differ by ............... 0.0029 Check PLAT923_ALERT_1_C S values in the CIF and FCF Differ by ....... 0.099 Check PLAT927_ALERT_1_C Reported and Calculated wR2 Differ by ......... 0.0029 Check PLAT976_ALERT_2_C Negative Residual Density at 0.61A from N1 . -0.45 eA-3
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 6 Note PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms .............. 1 Why ? PLAT199_ALERT_1_G Reported _cell_measurement_temperature ..... (K) 293 Check PLAT200_ALERT_1_G Reported _diffrn_ambient_temperature ..... (K) 293 Check PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Ni1 -- O1 .. 9.3 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Ni1 -- O2 .. 8.0 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Ni1 -- O3 .. 7.0 su PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 4 PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 2 C5 H7 N2 PLAT860_ALERT_3_G Number of Least-Squares Restraints ............. 6 Note PLAT910_ALERT_3_G Missing # of FCF Reflections Below Th(Min) ..... 1 Why ?
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 6 ALERT level C = Check. Ensure it is not caused by an omission or oversight 12 ALERT level G = General information/check it is not something unexpected 5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 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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