Acta Cryst. (2008). E64, m1337  [ doi:10.1107/S1600536808030705 ]

(Nitrato-O)oxido(5,10,15,20-tetraphenylporphyrinato-⁴N)molybdenum(V) benzene solvate

S. M. Carter, N. Xu, M. A. Khan, D. R. Powell and G. B. Richter-Addo

Key indicators

• Single-crystal X-ray study
• T = 120 K
• Mean (C-C) = 0.005 Å
• Disorder in main residue
• R factor = 0.049
• wR factor = 0.108
• Data-to-parameter ratio = 12.9

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT432_ALERT_2_B Short Inter X...Y Contact  O3     ..  C19     ..       2.90 Ang. 

Alert level C
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo1    --  N3_a    ..       5.42 su   
PLAT301_ALERT_3_C Main Residue  Disorder .........................      10.00 Perc.
PLAT331_ALERT_2_C Small Average Phenyl C-C Dist.   C26    -C28_b         1.37 Ang. 
PLAT432_ALERT_2_C Short Inter X...Y Contact  O3     ..  C27     ..       3.00 Ang. 
PLAT432_ALERT_2_C Short Inter X...Y Contact  N3     ..  C19     ..       2.97 Ang. 

Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          3      

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   5 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
   0 ALERT type 5 Informative message, check

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