Acta Cryst. (2010). E66, m1439  [ doi:10.1107/S1600536810039516 ]

Bis[N'-(2-oxo-1H-indol-3-ylidene)furan-2-carbohydrazidato-³O,N',O']manganese(II) N,N-dimethylformide monosolvate monohydrate

S. N. Abdul Halim, H. M. Ali and S. W. Ng

Online 23 October 2010

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean (C-C) = 0.005 Å
• R factor = 0.041
• wR factor = 0.126
• Data-to-parameter ratio = 14.7

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Mn1    --  O3      ..      11.08 su   
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Mn1    --  N2      ..      12.96 su   
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Mn1    --  N5      ..      10.36 su   

Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.98      
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.33      
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C1     --  C2      ..       6.32 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mn1    --  O2      ..       8.96 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mn1    --  O5      ..       9.95 su   
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O2     
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          1      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600         48      
PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings  Differ          ?
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors of          N7     
PLAT731_ALERT_1_C Bond    Calc     0.87(4), Rep   0.860(10) ......       4.00 su-Ra
              O1W  -H1W2    1.555   1.555                                      
PLAT731_ALERT_1_C Bond    Calc     0.87(3), Rep   0.870(10) ......       3.00 su-Ra
              N6   -H6      1.555   1.555                                      
PLAT735_ALERT_1_C D-H     Calc     0.87(4), Rep   0.860(10) ......       4.00 su-Ra
              O1W  -H1W2    1.555   1.555                                      
PLAT735_ALERT_1_C D-H     Calc     0.87(3), Rep   0.870(10) ......       3.00 su-Ra
              N6   -H6      1.555   1.555                                      
PLAT736_ALERT_1_C H...A   Calc     2.05(3), Rep   2.050(10) ......       3.00 su-Ra
              H6   -O6      1.555   2.666                                      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         89      

Alert level G
FORMU01_ALERT_1_G  There is a discrepancy between the atom counts in the
            _chemical_formula_sum and _chemical_formula_moiety. This is
            usually due to the moiety formula being in the wrong format.
            Atom count from _chemical_formula_sum:   C29 H25 Mn1 N7 O8
            Atom count from _chemical_formula_moiety:C3 H9 N1 O2
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          4      
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal  (x 10000)        100 Deg. 
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........          2      

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

   8 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   8 ALERT type 2 Indicator that the structure model may be wrong or deficient
   4 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

Copyright © International Union of Crystallography
IUCr Webmaster