Acta Cryst. (2009). E65, m352-m353  [ doi:10.1107/S1600536809006515 ]

Bis(6'-carboxy-2,2'-bipyridine-6-carboxylato-³N,N',O⁶)nickel(II) tetrahydrate

H. Wang, H. Su, J. Xu, F. Bai and Y. Gao

Online 28 February 2009

Key indicators

• Single-crystal X-ray study
• T = 113 K
• Mean (C-C) = 0.008 Å
• R factor = 0.068
• wR factor = 0.211
• Data-to-parameter ratio = 11.6

checkCIF/PLATON results

No syntax errors found




Alert level C
            Value of measurement temperature given =   113.000
            Value of melting point given =     0.000
RINTA01_ALERT_3_C  The value of Rint is greater than 0.12
            Rint given   0.126
PLAT220_ALERT_2_C Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       3.06 Ratio
PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ...          8      
PLAT369_ALERT_2_C Long   C(sp2)-C(sp2) Bond  C1     -   C2     ...       1.54 Ang. 
PLAT417_ALERT_2_C Short Inter D-H..H-D       H9B    ..  H11A    ..       2.10 Ang. 
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT154_ALERT_1_C The su's on the Cell Angles are Equal  (x 10000)       3000 Deg. 

Alert level G
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         11     
            N3  -NI1 -N1  -C6   -168.70  0.80   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         16     
            N3  -NI1 -N1  -C2     13.40  1.20   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         31     
            N1  -NI1 -N3  -C14    83.30  1.00   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         36     
            N1  -NI1 -N3  -C18   -92.20  1.00   1.555   1.555   1.555   1.555  

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

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   3 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
   5 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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