Acta Cryst. (2006). E62, m3098-m3100  [ doi:10.1107/S1600536806043790 ]

[-2,10,15,23-Tetramethyl-3,6,9,12,13,16,19,22,25,26,27,28-dodecaazatricyclo[22.2.1.1^11,14]hexacosa-1(26),2,9,11(28),13,15,22,24(27)-octaene-12,25-diido-1⁵N¹³,N¹⁶,N¹⁹,N²²,N²⁵:2⁵N³,N⁶,N⁹,N¹²,N²⁶]bis[diaquamanganese(II)] dichloride hexahydrate

L. Shen, Y.-J. Zhang and G.-D. Sheng

Online 27 October 2006

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.004 Å
• R factor = 0.045
• wR factor = 0.176
• Data-to-parameter ratio = 19.4

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT702_ALERT_1_A Angle   Calc    36.85(5), Rep    96.78(9), Dev..    1198.60 Sigma
              O1   -MN1  -N2      3.666   1.555   1.555                        
PLAT702_ALERT_1_A Angle   Calc    52.51(5), Rep    82.67(8), Dev..     603.20 Sigma
              N1   -MN1  -N2      3.666   1.555   1.555                        

Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C5     -   C6      ..       6.89 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mn1    -   N1      ..       5.97 su   

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

   3 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
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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