(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, m1166-m1168 [ doi:10.1107/S1600536804017477 ]

Acetatobis(1,10-phenanthroline)zinc(II) tetrafluoroborate

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 = 0.050
wR factor = 0.116
Data-to-parameter ratio = 12.6

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Zn1    -   O1      ..      10.14 su    
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Zn1    -   O2      ..      14.55 su    

Alert level C
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for         O1     
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        C41     
PLAT244_ALERT_4_C Low  Solvent U(eq) as Compared to Neighbors  for          B     
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          2       
              B F4                                                              

   0 ALERT level A = In general: serious problem
   2 ALERT level B = Potentially serious problem
   6 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
   5 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
   3 ALERT type 4 Improvement, methodology, query or suggestion