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Acta Cryst. (2006). E62, m445-m447  [ doi:10.1107/S1600536806003746 ]

Hexakis(1-methyl-1H-imidazole-[kappa]N3)nickel(II) dichloride dihydrate

W.-H. Wang, X.-Y. Su, Z.-H. Mao, J.-S. You and R.-G. Xie

Online 8 February 2006

Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level A
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low .......       0.93
Author Response: The diffractive ability of crystal isn't strong enough, though its quality is good. The software used to data collection was DIFRAC and the range of 2\q was 2\% to 50\%. When the number of reflections reached to 2860, the CAD4 device automatically stopped collecting. After data reduction by NRCVAX, we found that the independent reflections number was 2714, which was less than the theoretic one. 
PLAT093_ALERT_1_A No su's on H-atoms, but refinement reported as .      mixed     


Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          3     
            N1  -NI1 -N1  -C1     14.00  0.00   3.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          8     
            N1  -NI1 -N1  -C3      4.00  0.00   3.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         15     
            N3  -NI1 -N3  -C7     12.00  0.00   3.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         20     
            N3  -NI1 -N3  -C5      7.00  0.00   3.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         21     
            N5  -NI1 -N5  -C11    17.00  0.00   3.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         26     
            N5  -NI1 -N5  -C9      1.00  0.00   3.555   1.555   1.555   1.555   
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          1       


   2 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   8 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
   0 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   7 ALERT type 4 Improvement, methodology, query or suggestion

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