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Acta Cryst. (2004). E60, o1900-o1901  [ doi:10.1107/S1600536804023256 ]

Bis(3-picolinium) chloranilate dihydrate

H. Ishida


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Alert level A PLAT052_ALERT_1_A (Proper) Absorption Correction Method Missing .. ?
Alert level C PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ? PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 2.00 Ratio PLAT333_ALERT_2_C Large Average Benzene C-C Dist. C1 -C3_a 1.44 Ang. PLAT369_ALERT_2_C Long C(sp2)-C(sp2) Bond C1 - C3_a ... 1.54 Ang. PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1 C6 H8 N
1 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 6 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 4 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 0 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion

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