Acta Cryst. (2010). E66, m1230-m1231  [ doi:10.1107/S1600536810035452 ]

catena-Poly[(₂-3-carboxy-5-nitrobenzoato)(₃-5-nitrobenzene-1,3-dicarboxylato)(1,10-phenanthroline)gadolinium(III)]

J. Wang and Z.-L. Fang

Online 8 September 2010

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.012 Å
• R factor = 0.045
• wR factor = 0.121
• Data-to-parameter ratio = 11.9

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT220_ALERT_2_B Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       4.14 Ratio

Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.97      
PLAT213_ALERT_2_C Atom O4              has ADP max/min Ratio .....       3.20 prola
PLAT213_ALERT_2_C Atom O6              has ADP max/min Ratio .....       3.10 prola
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.73 Ratio
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         N1     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C8     
PLAT342_ALERT_3_C Low Bond Precision on  C-C Bonds (x 1000) Ang ..         12      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.599        155      
PLAT234_ALERT_4_C Large Hirshfeld Difference C19    --  C20     ..       0.16 Ang. 
PLAT234_ALERT_4_C Large Hirshfeld Difference C20    --  C21     ..       0.15 Ang. 
PLAT234_ALERT_4_C Large Hirshfeld Difference C21    --  C22     ..       0.19 Ang. 

Alert level G
PLAT153_ALERT_1_G The su's on the Cell Axes   are Equal (x 100000)        300 Ang. 
PLAT180_ALERT_4_G Check Cell Rounding: # of Values Ending with 0 =          3      
PLAT804_ALERT_5_G ARU-Pack Problem in PLATON Analysis ............          1 Times

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   6 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
   4 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

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