(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, m1038-m1039 [ doi:10.1107/S1600536804015569 ]

A new zinc(II) complex with a peptide ligand: aqua{N,N-bis[2-(2-pyridyl)methyl]pyridine-2,6-dicarboxamide}dichlorozinc(II)

D.-Z. Gao, S.-R. Zhu and H.-K. Lin

Online 9 July 2004

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.008 Å
R factor = 0.054
wR factor = 0.124
Data-to-parameter ratio = 13.6

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:      0.576     0.816
            Tmin' and Tmax expected:      0.721     0.816
            RR' =      0.799
            Please check that your absorption correction is appropriate.
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large .............       0.79       
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT150_ALERT_1_C Volume as Calculated Differs from that Given ...    2108.50 Ang-3 
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          8       

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

   1 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
   1 ALERT type 4 Improvement, methodology, query or suggestion