Acta Cryst. (2006). E62, m728-m730  [ doi:10.1107/S1600536806007963 ]

Bis(2-aminoacetato-²N,O)aquanickel(II)

Y.-J. Ding, Y.-X. Sun and N.-W. Zhang

Online 10 March 2006

Key indicators

• Single-crystal X-ray study
• T = 290 K
• Mean (C-C) = 0.008 Å
• R factor = 0.051
• wR factor = 0.079
• Data-to-parameter ratio = 13.8

checkCIF/PLATON results

No syntax errors found




Alert level C
RINTA01_ALERT_3_C  The value of Rint is greater than 0.10
            Rint given   0.105
PLAT020_ALERT_3_C The value of Rint is greater than 0.10 .........       0.10       
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          8       
PLAT420_ALERT_2_C D-H Without Acceptor       N1     -   H1A    ...          ?       
PLAT731_ALERT_1_C Bond    Calc     0.82(4), Rep   0.821(10) ......       4.00 su-Rat
              O5   -H5A     1.555   1.555                                       
PLAT731_ALERT_1_C Bond    Calc     0.82(4), Rep   0.823(10) ......       4.00 su-Rat
              O5   -H5B     1.555   1.555                                       
PLAT735_ALERT_1_C D-H     Calc     0.82(4), Rep   0.821(10) ......       4.00 su-Rat
              O5   -H5A     1.555   1.555                                       
PLAT735_ALERT_1_C D-H     Calc     0.82(4), Rep   0.823(10) ......       4.00 su-Rat
              O5   -H5B     1.555   1.555                                       
PLAT736_ALERT_1_C H...A   Calc     1.96(4), Rep   1.952(12) ......       3.33 su-Rat
              H5A  -O4      1.555   2.674                                       
PLAT736_ALERT_1_C H...A   Calc     1.99(4), Rep   1.986(13) ......       3.08 su-Rat
              H5B  -O2      1.555   3.656                                       

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           26.50
           From the CIF: _reflns_number_total               1585
           Count of symmetry unique reflns          951
           Completeness (_total/calc)            166.67%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured       634
           Fraction of Friedel pairs measured     0.667
           Are heavy atom types Z>Si present        yes

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

   6 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 ALERT type 2 Indicator that the structure model may be wrong or deficient
   3 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion

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