[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o600
[ doi:10.1107/S1600536813007447 ]

o-Phenylenediaminium chloride nitrate

S. Soudani, R. Kefi, C. Jelsch, E. Wenger and C. Ben Nasr


Key indicators

checkCIF/PLATON results

No syntax errors found



Datablock: I



Alert level B PLAT926_ALERT_1_B Reported and Calculated R1 Differ by ......... -0.0170 PLAT927_ALERT_1_B Reported and Calculated wR2 Differ by ......... -0.0325 PLAT928_ALERT_1_B Reported and Calculated S value Differ by . -0.496
Alert level C PLAT353_ALERT_3_C Long N-H Bond (0.87A) N3 - H31 ... 1.03 Ang. PLAT353_ALERT_3_C Long N-H Bond (0.87A) N3 - H32 ... 1.03 Ang. PLAT353_ALERT_3_C Long N-H Bond (0.87A) N3 - H34 ... 1.03 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.500 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 5
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 12 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 100 Perc. PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... !
0 ALERT level A = Most likely a serious problem - resolve or explain 3 ALERT level B = A potentially serious problem, consider carefully 6 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 4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 8 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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