Alert level A
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.78
Alert level B
PLAT340_ALERT_3_B Low Bond Precision on C-C Bonds (x 1000) Ang ... 19
Alert level C
STRVA01_ALERT_4_C Flack test results are ambiguous.
From the CIF: _refine_ls_abs_structure_Flack 0.400
From the CIF: _refine_ls_abs_structure_Flack_su 0.300
PLAT213_ALERT_2_C Atom C2 has ADP max/min Ratio ............. 3.90 prola
PLAT431_ALERT_2_C Short Inter HL..A Contact Cl1 .. N3 .. 3.29 Ang.
PLAT032_ALERT_4_C Std. Uncertainty in Flack Parameter too High ... 0.30
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1
C4 H8 Cl4 N3 O2 P3
Alert level G
REFLT03_ALERT_1_G ALERT: Expected hkl max differ from CIF values
From the CIF: _diffrn_reflns_theta_max 27.50
From the CIF: _reflns_number_total 1519
From the CIF: _diffrn_reflns_limit_ max hkl 17. 7. 18.
From the CIF: _diffrn_reflns_limit_ min hkl -19. -7. -18.
TEST1: Expected hkl limits for theta max
Calculated maximum hkl 19. 7. 20.
Calculated minimum hkl -19. -7. -20.
REFLT03_ALERT_4_G WARNING: Large fraction of Friedel related reflns may
be needed to determine absolute structure
From the CIF: _diffrn_reflns_theta_max 27.50
From the CIF: _reflns_number_total 1519
Count of symmetry unique reflns 1507
Completeness (_total/calc) 100.80%
TEST3: Check Friedels for noncentro structure
Estimate of Friedel pairs measured 12
Fraction of Friedel pairs measured 0.008
Are heavy atom types Z>Si present yes
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 14
1 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 5 ALERT level C = Check and explain 3 ALERT level G = General alerts; check 1 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 3 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
