Acta Cryst. (2013). E69, m143
[ doi:10.1107/S1600536813003462 ]

Tris[dimethyl (benzoylamido)phosphato-²O,O'](1,10-phenanthroline-²N,N')neodymium(III)

N. S. Kariaka, V. A. Trush, V. V. Medviediev, T. Y. Sliva and V. M. Amirkhanov

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.005 Å
• R factor = 0.036
• wR factor = 0.089
• Data-to-parameter ratio = 23.5

checkCIF/PLATON results

No syntax errors found




Alert level B
            Crystal system given = triclinic
PLAT230_ALERT_2_B Hirshfeld Test Diff for    O8     --  C18     ..       10.5 su   
PLAT230_ALERT_2_B Hirshfeld Test Diff for    O24    --  C66     ..       11.0 su   
PLAT910_ALERT_3_B Missing # of FCF Reflections Below Th(Min) .....         26      

Alert level C
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...        3.6 Ratio
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...        3.4 Ratio
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C22    --  C23     ..        5.3 su   
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O2     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O5     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O6     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C24     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        O22     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         P2     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         O8     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Nd2     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         P6     
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......      4.825      
PLAT973_ALERT_2_C Large Calcd. Positive Residual Density on    Nd2       1.14 eA-3 

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details  in the CIF          ?
PLAT112_ALERT_2_G ADDSYM Detects Additional (Pseudo) Symm. Elem...          B     
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal ..........    0.00300 Deg. 
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported   _diffrn_ambient_temperature        293 K    
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Nd2    --  O13     ..        5.3 su   
PLAT961_ALERT_5_G Dataset Contains no Negative Intensities .......          !

   0 ALERT level A = Most likely a serious problem - resolve or explain
   3 ALERT level B = A potentially serious problem, consider carefully
  14 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   7 ALERT level G = General information/check it is not something unexpected

   3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  17 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
   0 ALERT type 4 Improvement, methodology, query or suggestion
   2 ALERT type 5 Informative message, check

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