[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3120
[ doi:10.1107/S160053681204189X ]

1-(2-Ammonioethyl)piperazin-1,4-diium dihydrogenophosphate monohydrogenophosphate

M. L. Mrad, V. Ferretti, M. Rzaigui and C. Ben Nasr


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT910_ALERT_3_B Missing # of FCF Reflections Below Th(Min) ..... 22
Alert level C PLAT057_ALERT_3_C Correction for Absorption Required RT(exp) ... 1.12 PLAT125_ALERT_4_C No '_symmetry_space_group_name_Hall' Given ..... ? PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for P2 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 22 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 12 PLAT976_ALERT_2_C Negative Residual Density at 0.82A from O7 . -0.68 eA-3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 5 PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 3 H2 O4 P PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 22
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 6 ALERT level C = Check. Ensure it is not caused by an omission or oversight 4 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 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 4 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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