Acta Cryst. (2004). E60, m1051-m1052  [ doi:10.1107/S1600536804015697 ]

A second C-centered monoclinic polymorph of poly[[aquamanganese(II)]-di--(4-pyridylthioacetato)-⁶O,O':N,N:O,O']

Y.-Q. Huang, H. Zhang, J.-G. Chen and S. W. Ng

Online 9 July 2004

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.002 Å
• R factor = 0.029
• wR factor = 0.084
• Data-to-parameter ratio = 12.4

checkCIF/PLATON results

No syntax errors found




Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
            Tmin and Tmax reported:      0.513     0.846
            Tmin' and Tmax expected:      0.627     0.841
            RR' =      0.814
            Please check that your absorption correction is appropriate.
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.98       
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large .............       0.81       
PLAT164_ALERT_4_C Nr. of Refined C-H H-Atoms in Heavy-At Struct...          6       
PLAT733_ALERT_1_C Torsion Calc   -176.3(2), Rep  -176.31(9) ......       2.22 su-Rat
              O1  -MN1 -O1  -C1     6.556   1.555   1.555   1.555               

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   6 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
   0 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

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