(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, m1151-m1152 [ doi:10.1107/S1600536804017192 ]

[2,2'-(Ethylenedioxy)dibenzaldehyde bis(thiosemicarbazone)]nickel(II) diperchlorate methanol disolvate

X.-H.. Qiu and H.-Y. Wu

Online 24 July 2004

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.007 Å
R factor = 0.052
wR factor = 0.158
Data-to-parameter ratio = 15.7

checkCIF/PLATON results

No syntax errors found




Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
            Tmin and Tmax reported:      0.651     0.866
            Tmin' and Tmax expected:      0.810     0.866
            RR' =      0.804
            Please check that your absorption correction is appropriate.
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large .............       0.80       
PLAT150_ALERT_1_C Volume as Calculated Differs from that Given ...    6018.00 Ang-3 
PLAT244_ALERT_4_C Low  Solvent U(eq) as Compared to Neighbors  for        Cl1     
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          7       
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         16     
            N1  -NI1 -N1  -C8     65.60  0.40   6.554   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         21     
            N1  -NI1 -N1  -N2   -119.80  0.30   6.554   1.555   1.555   1.555   

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   8 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   2 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
   3 ALERT type 3 Indicator that the structure quality may be low
   3 ALERT type 4 Improvement, methodology, query or suggestion