Acta Cryst. (2004). E60, m1750-m1751  [ doi:10.1107/S1600536804027102 ]

Bis(butane-2,3-dione monooxime benzoylhydrazone-³O,N,N')nickel(II) sulfate salicylhydroxamic acid

S. Gao, L.-H. Huo, H. Zhao and S. W. Ng

Online 6 November 2004

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean (C-C) = 0.006 Å
• R factor = 0.059
• wR factor = 0.152
• Data-to-parameter ratio = 16.6

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:      0.591     0.870
            Tmin' and Tmax expected:      0.751     0.866
            RR' =      0.783
            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 .............       0.78       
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       3.61       
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT230_ALERT_2_C Hirshfeld Test Diff for    N5     -   C14     ..       5.65 su    
PLAT244_ALERT_4_C Low  Solvent U(eq) as Compared to Neighbors  for         S1     
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.05       
PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of .      43.00 A   3  

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   9 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   4 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
   1 ALERT type 4 Improvement, methodology, query or suggestion

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