Acta Cryst. (2007). E63, m1712  [ doi:10.1107/S1600536807023604 ]

Bis(benzimidazole-N)bis(4-formylbenzoato-O)zinc(II) monohydrate

Z.-P. Deng, S. Gao and S. W. Ng

Online 26 May 2007

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean (C-C) = 0.007 Å
• Disorder in main residue
• R factor = 0.057
• wR factor = 0.194
• Data-to-parameter ratio = 14.1

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT241_ALERT_2_A Check High      Ueq as Compared to Neighbors for        O2'     

Alert level B
PLAT241_ALERT_2_B Check High      Ueq as Compared to Neighbors for         O2     

PLAT432_ALERT_2_B Short Inter X...Y Contact  O2'    ..  C7'     ..       2.82 Ang. 

Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
            Tmin and Tmax reported:      0.558     0.843
            Tmin(prime) and Tmax expected:      0.717     0.838
            RR(prime) =      0.774
            Please check that your absorption correction is appropriate.
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large .............       0.77      
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O1     

PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        O1'     

PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C7'     

PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Zn1     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C1'     
PLAT301_ALERT_3_C Main Residue  Disorder .........................      21.00 Perc.
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      50.00 Perc.
PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ...          7      
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          5      

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:   C30 H24 N4 O7 Zn1
            Atom count from _chemical_formula_moiety:
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......        178      

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

   2 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
   5 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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