Acta Cryst. (2006). E62, m3078-m3079  [ doi:10.1107/S1600536806043340 ]

Poly[[diaquasamarium(III)]-₃-(biphenyl-4,4'-dicarboxylato)-₃-(4'-carboxylbiphenyl-4-carboxylato)]

B. Yu, X.-Q. Wang, H.-Z. Kou, G.-Q. Shen and D.-Z. Shen

Online 25 October 2006

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.005 Å
• R factor = 0.034
• wR factor = 0.083
• Data-to-parameter ratio = 15.2

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.97      
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.50 Ratio
PLAT245_ALERT_2_C U(iso) H4O     Smaller than U(eq) O4      by ...       0.01 AngSq
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.27      
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          8     
            SM1 -O2  -C1  -O1     66.00  5.00   5.666   1.555   1.555   1.555  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          9     
            SM1 -O2  -C1  -C2   -117.00  5.00   5.666   1.555   1.555   1.555  
PLAT731_ALERT_1_C Bond    Calc     0.85(4), Rep   0.848(10) ......       4.00 su-Ra
              O1W  -H2W     1.555   1.555                                      
PLAT732_ALERT_1_C Angle   Calc      110(4), Rep   110.2(18) ......       2.22 su-Ra
              H1W  -O1W  -H2W     1.555   1.555   1.555                        
PLAT735_ALERT_1_C D-H     Calc     0.85(4), Rep   0.848(10) ......       4.00 su-Ra
              O1W  -H2W     1.555   1.555                                      

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

   4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 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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