(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2008). E64, m403-m404 [ doi:10.1107/S1600536808000846 ]

Acetato(1,10-phenanthroline-5,6-dione)silver(I) trihydrate

J. Onuegbu, R. J. Butcher, C. Hosten, U. C. Udeochu and O. Bakare

Key indicators

Single-crystal X-ray study
T = 103 K
Mean (C-C) = 0.003 Å
R factor = 0.028
wR factor = 0.068
Data-to-parameter ratio = 17.8

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT417_ALERT_2_B Short Inter D-H..H-D       H1W2   ..  H1W2    ..       1.41 Ang. 
PLAT432_ALERT_2_B Short Inter X...Y Contact  O1A    ..  C5      ..       2.88 Ang. 
PLAT432_ALERT_2_B Short Inter X...Y Contact  O2A    ..  C6      ..       2.73 Ang. 
PLAT432_ALERT_2_B Short Inter X...Y Contact  O2A    ..  C5      ..       2.76 Ang. 

Alert level C
PLAT154_ALERT_1_C The su's on the Cell Angles are Equal  (x 10000)        200 Deg. 
PLAT223_ALERT_4_C Large Solvent/Anion  H     Ueq(max)/Ueq(min) ...       4.00 Ratio
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Ag     -   O1A     ..       5.39 su   
PLAT333_ALERT_2_C Large Average Benzene C-C Dist.  C4     -C12           1.45 Ang. 
PLAT369_ALERT_2_C Long   C(sp2)-C(sp2) Bond  C5     -   C6     ...       1.54 Ang. 
PLAT432_ALERT_2_C Short Inter X...Y Contact  O1A    ..  C6      ..       2.96 Ang. 
PLAT432_ALERT_2_C Short Inter X...Y Contact  C1A    ..  C5      ..       3.16 Ang. 
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          9      
PLAT731_ALERT_1_C Bond    Calc     0.80(7), Rep     0.81(2) ......       3.50 su-Ra
              O1W  -H1W2    1.555   1.555                                      
PLAT735_ALERT_1_C D-H     Calc     0.80(7), Rep     0.81(2) ......       3.50 su-Ra
              O1W  -H5#     1.555   1.555                                      

Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          6      

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

   3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   9 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check