(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, m429-m431 [ doi:10.1107/S1600536804005306 ]

Chlorobis(1,10-phenanthroline)copper(II) perchlorate hemihydrate

Y.-B. Wei and P. Yang

Online 20 March 2004

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.013 Å
R factor = 0.094
wR factor = 0.210
Data-to-parameter ratio = 12.4

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT214_ALERT_2_B Atom O7      (Anion/Solvent) ADP max/min Ratio         5.80 prolat
PLAT230_ALERT_2_B Hirshfeld Test Diff for    C4     -   C7      ..       8.78 su    
PLAT415_ALERT_2_B Short Inter D-H..H-X       H12    ..  H49A    ..       1.97 Ang.  
PLAT420_ALERT_2_B D-H Without Acceptor       O9     -   H49A   ...          ?       

Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.82 Ratio 
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C40    -   C43     ..       6.15 su    
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....         C7     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....         C4     
PLAT244_ALERT_4_C Low Solvent  U(eq) as Compared to Neighbors ....        Cl3     
PLAT244_ALERT_4_C Low Solvent  U(eq) as Compared to Neighbors ....        Cl4     
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         12       

   0 ALERT level A = In general: serious problem
   4 ALERT level B = Potentially serious problem
   8 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
   8 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