Acta Cryst. (2006). E62, m3425-m3428  [ doi:10.1107/S1600536806047386 ]

A structure with trigonally and tetrahedrally coordinated Cu^I cations: rac-(acetonitrile)[2,2'-bis(1-propyl-1H-benzimidazol-2-yl)biphenyl]copper(I) bis(acetonitrile)[2,2'-bis(1-propyl-1H-benzimidazol-2-yl)biphenyl]copper(I) bis(perchlorate)

R. T. Stibrany and J. A. Potenza

Online 24 November 2006

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.005 Å
• R factor = 0.051
• wR factor = 0.145
• Data-to-parameter ratio = 14.3

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT220_ALERT_2_B Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       4.24 Ratio
PLAT221_ALERT_4_B Large Solvent/Anion  O     Ueq(max)/Ueq(min) ...       4.03 Ratio
PLAT222_ALERT_3_B Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       4.52 Ratio

Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR) is > 1.10
            Tmin and Tmax reported:      0.867     1.000
            Tmin and Tmax expected:      0.720     0.947
            RR =      1.140
            Please check that your absorption correction is appropriate.
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT060_ALERT_3_C Ratio Tmax/Tmin (Exp-to-Rep) (too) Large .......       1.14      
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.95      
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.13 Ratio
PLAT220_ALERT_2_C Large Non-Solvent    N     Ueq(max)/Ueq(min) ...       2.89 Ratio
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.23 Ratio
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Cu1    -   N52     ..       5.53 su   
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        N51     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        N52     
PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of .      47.00 A   3 
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........         12      

Alert level G
ABSTM02_ALERT_3_G  When printed, the submitted absorption T values will be
            replaced by the scaled T values. Since the ratio of scaled T's
            is identical to the ratio of reported T values, the scaling
            does not imply a change to the absorption corrections used in
            the study.
            Ratio of Tmax expected/reported      0.947
            Tmax scaled      0.947 Tmin scaled      0.821

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   7 ALERT type 2 Indicator that the structure model may be wrong or deficient
   5 ALERT type 3 Indicator that the structure quality may be low
   3 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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