Acta Cryst. (2007). E63, m1627  [ doi:10.1107/S1600536807021861 ]

Chlorido(6,7-dimethyl-2,3-dipyridin-2-ylquinoxaline-²N,N')(⁶-1,2,4,5-tetramethylbenzene)ruthenium(II) hexafluorophosphate acetonitrile solvate

B. Therrien and G. Süss-Fink

Online 10 May 2007

Key indicators

• Single-crystal X-ray study
• T = 173 K
• Mean (C-C) = 0.005 Å
• R factor = 0.026
• wR factor = 0.064
• Data-to-parameter ratio = 14.6

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT220_ALERT_2_B Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.79 Ratio

Alert level C
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.24 Ratio
PLAT231_ALERT_4_C Hirshfeld Test (Solvent)   P1     -   F1      ..       7.65 su   
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         P1     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C32     
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.18      

Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           25.95
           From the CIF: _reflns_number_total               6142
           Count of symmetry unique reflns         3247
           Completeness (_total/calc)            189.16%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      2895
           Fraction of Friedel pairs measured     0.892
           Are heavy atom types Z>Si present        yes
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          2      

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

   0 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
   4 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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