Acta Cryst. (2009). E65, o28 [ doi:10.1107/S1600536808040452 ]
Online 6 December 2008
No syntax errors found
Alert level C Value of measurement temperature given = 100.000 Value of melting point given = 0.000 PLAT022_ALERT_3_C Ratio Unique / Expected Reflections too Low .... 0.92 PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.98 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.11 PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ... 9 PLAT234_ALERT_4_C Large Hirshfeld Difference N1 -- C1 .. 0.12 Ang. PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1 C5 H4 Br I N2
Alert level G ABSTM02_ALERT_3_G The ratio of expected to reported Tmax/Tmin(RR) is > 2.00 Tmin and Tmax reported: 0.234 0.557 Tmin and Tmax expected: 0.033 0.683 RR = 8.606 Please check that your absorption correction is appropriate.
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 6 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 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 2 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
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