(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, m1225-m1227 [ doi:10.1107/S1600536804018811 ]

An Na-O-Zn-O-Zn bridging complex of Cl-HXTA, where Cl-HXTA is 2,6-bis{[bis(carboxylatomethyl)amino]methyl}-4-chlorophenolate

F. Gao, B.-H. Meng and M.-L. Zhu

Online 7 August 2004

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.014 Å
R factor = 0.097
wR factor = 0.199
Data-to-parameter ratio = 13.2

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT213_ALERT_2_B Atom C4      has ADP max/min Ratio .............       4.10 oblate
PLAT420_ALERT_2_B D-H Without Acceptor       O10    -   H25    ...          ?       

Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.96       
PLAT213_ALERT_2_C Atom C16     has ADP max/min Ratio .............       3.10 oblate
PLAT220_ALERT_2_C Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       2.71 Ratio 
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         14       

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   4 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
   0 ALERT type 4 Improvement, methodology, query or suggestion