Acta Cryst. (2004). E60, m571-m573  [ doi:10.1107/S1600536804008487 ]

Bis(picolinato-²N,O)bis(urea-O)nickel(II) urea disolvate monohydrate

A-Q. Wu, G.-H. Guo, F.-K. Zheng, G.-C. Guo and J.-S. Huang

Online 17 April 2004

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.004 Å
• Disorder in solvent or counterion
• R factor = 0.042
• wR factor = 0.109
• Data-to-parameter ratio = 11.6

checkCIF/PLATON results

No syntax errors found




Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
            Tmin and Tmax reported:      0.583     0.803
            Tmin' and Tmax expected:      0.685     0.803
            RR' =      0.851
            Please check that your absorption correction is appropriate.
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large .............       0.83       
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT244_ALERT_4_C Low Solvent  U(eq) as Compared to Neighbors ....        C21     
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      18.00 Perc. 
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          1       
              C14 H16 N6 Ni O6                                                  
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          2       
              C H4 N2 O                                                         
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          3       
              C H4 N2 O                                                         
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          4       
              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
   0 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   7 ALERT type 4 Improvement, methodology, query or suggestion

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