Acta Cryst. (2007). E63, m2376  [ doi:10.1107/S1600536807040238 ]

Bis{2,4-dibromo-6-[3-(cyclohexylammonio)propyliminomethyl]phenolato-²N,O}bis(thiocyanato-N)nickel(II) methanol disolvate

M. Liu, W.-B. Yuan, H.-W. Xu, Q. Zhang and J.-X. Li

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.007 Å
• R factor = 0.045
• wR factor = 0.107
• Data-to-parameter ratio = 18.5

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT241_ALERT_2_B Check High      Ueq as Compared to Neighbors for        C12     
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for        C11     
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for        C14     

Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.87      
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. 
PLAT180_ALERT_3_C Check Cell Rounding: # of Values Ending with 0 =          3      
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.17 Ratio
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C13     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C15     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C17     
PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ...          7      

Alert level G
ABSTM02_ALERT_3_G  When printed, the submitted absorption T values will be
            replaced by the scaled T values. Since the ratio of scaled T's
            is identical to the ratio of reported T values, the scaling
            does not imply a change to the absorption corrections used in
            the study.
            Ratio of Tmax expected/reported      0.866
            Tmax scaled      0.396 Tmin scaled      0.343
PLAT794_ALERT_5_G Check Predicted Bond Valency for Ni1         (2)       2.06      

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

   3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   7 ALERT type 2 Indicator that the structure model may be wrong or deficient
   3 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

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