Acta Cryst. (2004). E60, m662-m663  [ doi:10.1107/S1600536804009602 ]

Hydrogen bonding in thiacrown complexes: chlorobis(nicotinamide-N)(1,4,7-trithiacyclononane-³S)ruthenium(II) hexafluorophosphate monohydrate

H. Adams, N. Shan and J. Thomas

Online 30 April 2004

Key indicators

• Single-crystal X-ray study
• T = 150 K
• Mean (C-C) = 0.006 Å
• R factor = 0.043
• wR factor = 0.116
• Data-to-parameter ratio = 17.8

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Ru1    -   Cl1     ..      15.91 su    

Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.08       
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT231_ALERT_4_C Hirshfeld Test (Solvent)   P1     -   F1      ..       6.07 su    
PLAT244_ALERT_4_C Low Solvent  U(eq) as Compared to Neighbors ....         P1     

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

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