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Acta Cryst. (2013). E69, o1145-o1146  [ doi:10.1107/S1600536813016759 ]

Bis[1-(2,3-dimethylphenyl)piperazine-1,4-diium] bis(oxonium) cyclohexaphosphate dihydrate

I. Ameur, S. Abid, S. S. Al-Deyab and M. Rzaigui


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Alert level C PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O4 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for P1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for P3 PLAT313_ALERT_2_C Oxygen with three covalent bonds (rare) ........ OW2 PLAT414_ALERT_2_C Short Intra D-H..H-X H1 .. H13 .. 1.93 Ang. PLAT417_ALERT_2_C Short Inter D-H..H-D H2W1 .. H2W2 .. 2.12 Ang. PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -1.441 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 38 PLAT975_ALERT_2_C Positive Residual Density at 0.53A from OW1 . 0.50 eA-3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT007_ALERT_5_G Note: Number of Unrefined Donor-H Atoms ........ 8 PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? Check PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 7 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 6
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 10 ALERT level C = Check. Ensure it is not caused by an omission or oversight 7 ALERT level G = General information/check it is not something unexpected 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 7 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 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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