Acta Cryst. (2006). E62, m3215-m3216  [ doi:10.1107/S1600536806045661 ]

trans-Diaquabis(isoquinoline-1-carboxylato-²N,O)manganese(II) dihydrate

W.-B. Yuan, M. Liu, S.-S. Wu, H.-Y. Wang and Q. Zhang

Online 8 November 2006

Key indicators

• Single-crystal X-ray study
• T = 153 K
• Mean (C-C) = 0.002 Å
• R factor = 0.022
• wR factor = 0.067
• Data-to-parameter ratio = 14.2

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mn     -   N       ..       6.34 su   
PLAT369_ALERT_2_C Long   C(sp2)-C(sp2) Bond  C1     -   C2     ...       1.53 Ang. 
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          3     
            N   -MN  -N   -C2    -81.00 18.00   3.666   1.555   1.555   1.555  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          8     
            N   -MN  -N   -C10    95.00 18.00   3.666   1.555   1.555   1.555  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         11     
            O1  -MN  -O1  -C1     36.00  7.00   3.666   1.555   1.555   1.555  

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   7 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
   2 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
   3 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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