Alert level A
PLAT057_ALERT_3_A Correction for Absorption Required RT(exp) ... 2.08
Alert level B
GOODF01_ALERT_2_B The least squares goodness of fit parameter lies
outside the range 0.60 <> 4.00
Goodness of fit given = 0.495
PLAT342_ALERT_3_B Low Bond Precision on C-C Bonds (x 1000) Ang .. 24
PLAT601_ALERT_2_B Structure Contains Solvent Accessible VOIDS of . 155.00 A**3
Alert level C
CRYSC01_ALERT_1_C The word below has not been recognised as a standard
identifier.
unk
CRYSC01_ALERT_1_C No recognised colour has been given for crystal colour.
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.77
PLAT213_ALERT_2_C Atom O3 has ADP max/min Ratio ..... 3.10 prola
PLAT213_ALERT_2_C Atom C2 has ADP max/min Ratio ..... 3.10 prola
PLAT213_ALERT_2_C Atom C11 has ADP max/min Ratio ..... 3.60 prola
PLAT371_ALERT_2_C Long C(sp2)-C(sp1) Bond C22 - C28 ... 1.46 Ang.
PLAT194_ALERT_1_C Missing _cell_measurement_reflns_used datum .... ?
PLAT195_ALERT_1_C Missing _cell_measurement_theta_max datum .... ?
PLAT196_ALERT_1_C Missing _cell_measurement_theta_min datum .... ?
PLAT234_ALERT_4_C Large Hirshfeld Difference O3 -- C21 .. 0.16 Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference C1 -- C6 .. 0.16 Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference C3 -- C4 .. 0.19 Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference C23 -- C24 .. 0.18 Ang.
Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
correct. If it is not, please give the correct count in the
_publ_section_exptl_refinement section of the submitted CIF.
From the CIF: _diffrn_reflns_theta_max 25.02
From the CIF: _reflns_number_total 5646
Count of symmetry unique reflns 3239
Completeness (_total/calc) 174.31%
TEST3: Check Friedels for noncentro structure
Estimate of Friedel pairs measured 2407
Fraction of Friedel pairs measured 0.743
Are heavy atom types Z>Si present yes
PLAT180_ALERT_4_G Check Cell Rounding: # of Values Ending with 0 = 3
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K
1 ALERT level A = In general: serious problem 3 ALERT level B = Potentially serious problem 14 ALERT level C = Check and explain 4 ALERT level G = General alerts; check 7 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 7 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 6 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
