Acta Cryst. (2006). E62, m3183-m3184  [ doi:10.1107/S1600536806044916 ]

Bis[N,N'-bis(3,3-diphenylprop-2-enylidene)ethane-1,2-diamine-²N,N']copper(I) triiodide

A. D. Khalaji, M. Amirnasr and J.-C. Daran

Online 3 November 2006

Key indicators

• Single-crystal X-ray study
• T = 180 K
• Mean (C-C) = 0.004 Å
• R factor = 0.032
• wR factor = 0.069
• Data-to-parameter ratio = 28.7

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT220_ALERT_2_B Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.61 Ratio

Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.98      
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.63      
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.09 Ratio

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      0.628
            Tmax scaled      0.516 Tmin scaled      0.426
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           32.01
           From the CIF: _reflns_number_total               4735
           Count of symmetry unique reflns         2686
           Completeness (_total/calc)            176.28%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      2049
           Fraction of Friedel pairs measured     0.763
           Are heavy atom types Z>Si present        yes

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   3 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
   1 ALERT type 2 Indicator that the structure model may be wrong or deficient
   3 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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