Acta Cryst. (2004). E60, m1450-m1452  [ doi:10.1107/S1600536804022767 ]

(Acetato-O)[butane-2,3-dione monooxime benzoylhydrazonato-³O,N²,O']bis(pyridine-N)nickel(II)

L.-H. Huo, Z.-Z. Lu, S. Gao and H. Zhao

Online 18 September 2004

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.006 Å
• R factor = 0.038
• wR factor = 0.087
• Data-to-parameter ratio = 16.1

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT230_ALERT_2_B Hirshfeld Test Diff for    N1     -   C2      ..       8.41 su    

Alert level C
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C8     -   C9      ..       5.33 su    
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for        C13     
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for        C15     
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for        C20     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for         N4     
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        C23     

Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           27.50
           From the CIF: _reflns_number_total               4892
           Count of symmetry unique reflns         2765
           Completeness (_total/calc)            176.93%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      2127
           Fraction of Friedel pairs measured     0.769
           Are heavy atom types Z>Si present          yes

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

   0 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
   0 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion

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