(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, m1210-m1212 [ doi:10.1107/S1600536804018483 ]

Bis(-hydrogen 5-sulfosalicylate)bis[aqua(1,10-phenanthroline)lead(II)]

J.-F. Li, Y.-J. Zhao, X.-H. Li and M.-L. Hu

Online 7 August 2004

Key indicators

Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.006 Å
R factor = 0.021
wR factor = 0.053
Data-to-parameter ratio = 11.9

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Pb1    -   O1      ..       7.13 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Pb1    -   O2      ..       5.00 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Pb1    -   O4_a    ..       6.69 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Pb1    -   O6_a    ..       8.77 su    
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for         O2     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for         S1     
PLAT731_ALERT_1_C Bond    Calc     0.81(4), Rep   0.810(18) ......       2.22 su-Rat
              O7   -H7A     1.555   1.555                                       
PLAT735_ALERT_1_C D-H     Calc     0.81(4), Rep   0.810(18) ......       2.22 su-Rat
              O7   -H7A     1.555   1.555                                       
PLAT736_ALERT_1_C H...A   Calc     1.84(4), Rep   1.844(19) ......       2.11 su-Rat
              H7A  -O5      1.555   2.655                                       

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

   3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   6 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion