Acta Cryst. (2005). E61, m769-m771  [ doi:10.1107/S1600536805009086 ]

Poly[[[(1,10-phenanthroline)manganese(II)]-₃-2-nitrobenzene-1,4-dicarboxylato] monohydrate]

L.-G. Zhu and H.-P. Xiao

Online 31 March 2005

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean (C-C) = 0.007 Å
• R factor = 0.063
• wR factor = 0.142
• Data-to-parameter ratio = 11.2

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low .......       0.95       

Alert level C
REFLT03_ALERT_3_C  Reflection count < 95% complete
           From the CIF: _diffrn_reflns_theta_max           25.00
           From the CIF: _diffrn_reflns_theta_full           0.00
           From the CIF: _reflns_number_total               3197
           TEST2: Reflns within _diffrn_reflns_theta_max
           Count of symmetry unique reflns         3379
           Completeness (_total/calc)             94.61%
PLAT022_ALERT_3_C Ratio Unique / Expected Reflections too Low ....       0.95       
PLAT128_ALERT_4_C Non-standard setting of Space group C2/c    ....    I2/a          
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         C6     
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) ........          3       

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 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
   2 ALERT type 4 Improvement, methodology, query or suggestion

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