(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, m1261-m1263 [ doi:10.1107/S1600536804019440 ]

A tetranuclear zinc-cerium complex: diaquaocta---methylacrylato-di--methylacrylatodipyridinediceriumdizinc

B. Wu and Y.-S. Guo

Online 13 August 2004

Key indicators

Single-crystal X-ray study
T = 273 K
Mean (C-C) = 0.005 Å
R factor = 0.024
wR factor = 0.056
Data-to-parameter ratio = 18.8

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT220_ALERT_2_B Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       4.22 Ratio 
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Ce     -   O8      ..      10.86 su    
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Ce     -   O9      ..      11.21 su    
PLAT242_ALERT_2_B Check Low    U(eq) as Compared to Neighbors  for        C11     
PLAT420_ALERT_2_B D-H Without Acceptor       O11    -   H111   ...          ?       

Alert level C
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C2     -   C3      ..       5.01 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Ce     -   O7      ..       7.85 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Ce     -   O10     ..       8.32 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Ce     -   O11     ..       6.71 su    
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     
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for         O3     
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for         O4     
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for         O5     
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for         O6     
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for         O7     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for         Ce     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for        C10     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for        C14     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for        C15     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for        C19     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for        C23     
PLAT362_ALERT_2_C Short  C(sp3)-C(sp2) Bond  C11    -   C13    ...       1.40 Ang.  
PLAT362_ALERT_2_C Short  C(sp3)-C(sp2) Bond  C23    -   C25    ...       1.40 Ang.  

   0 ALERT level A = In general: serious problem
   5 ALERT level B = Potentially serious problem
  19 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
  24 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