[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o240
[ doi:10.1107/S1600536813000718 ]

3-Chloro-4-fluoroanilinium picrate

B. K. Sarojini, B. Narayana, H. S. Yathirajan, T. Gerber, B. van Brecht and R. Betz

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level C PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -0.530 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 40 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 3
Alert level G FORMU01_ALERT_1_G There is a discrepancy between the atom counts in the _chemical_formula_sum and _chemical_formula_moiety. This is usually due to the moiety formula being in the wrong format. Atom count from _chemical_formula_sum: C12 H8 Cl1 F1 N4 O7 Atom count from _chemical_formula_moiety:C12 H8 Cl1 F1 N3 O7 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.00100 Deg.
Author Response: values checked, are correct
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600          3      

0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 4 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 3 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 4 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check
checkCIF publication errors
Alert level A PUBL024_ALERT_1_A The number of authors is greater than 5. Please specify the role of each of the co-authors for your paper.
Author Response: Sarojini, Narayana, Yathirajan - synthesis, research and project settled around compound; Benjamin van Brecht - mounting and selecting of crystals which was very time-consuming due to quality of sample; Thomas Gerber - initiator of this cooperation and supervisor of Xray facility; Richard Betz - structure solution and refinement as well as write up of this manuscript

1 ALERT level A = Data missing that is essential or data in wrong format 0 ALERT level G = General alerts. Data that may be required is missing

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