(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, m1169-m1171 [ doi:10.1107/S1600536804017489 ]

Acetatobis(2,2'-bipyridyl)zinc(II) hexafluorophosphate monohydrate

B. L. Rodrigues

Online 24 July 2004

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.006 Å
R factor = 0.052
wR factor = 0.153
Data-to-parameter ratio = 12.9

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Zn1    -   O1      ..       6.01 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Zn1    -   O2      ..       5.90 su    
PLAT244_ALERT_4_C Low  Solvent U(eq) as Compared to Neighbors  for         P1     
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          2       
PLAT751_ALERT_4_C Bond    Calc     0.85154, Rep    0.851(4) ......  Senseless su    
              O3   -H1O3    1.555   1.555                                       
PLAT751_ALERT_4_C Bond    Calc     0.86150, Rep    0.861(4) ......  Senseless su    
              O3   -H2O3    1.555   1.555                                       
PLAT752_ALERT_4_C Angle   Calc      106.57, Rep    106.6(5) ......  Senseless su    
              H1O3 -O3   -H2O3    1.555   1.555   1.555                         
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          3       
              H2 O                                                              

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  10 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
   2 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
   7 ALERT type 4 Improvement, methodology, query or suggestion