Acta Cryst. (2004). E60, m186-m187  [ doi:10.1107/S1600536804000790 ]

The absolute structure of tetrakis(trimethylphosphine)copper(I) dichlorocopper(I)

G. Margraf, H.-W. Lerner, M. Wagner and M. Bolte

Online 17 January 2004

Key indicators

• Single-crystal X-ray study
• T = 173 K
• Mean (Cu-Cl) = 0.001 Å
• R factor = 0.031
• wR factor = 0.080
• Data-to-parameter ratio = 35.6

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low .......       0.91       

Alert level C
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....         P1     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....         P2     
PLAT244_ALERT_4_C Low Solvent  U(eq) as Compared to Neighbors ....        Cu2     

Alert level G
REFLT03_ALERT_4_G  WARNING: Large fraction of Friedel related reflns may
                     be needed to determine absolute structure
           From the CIF: _diffrn_reflns_theta_max           31.32
           From the CIF: _reflns_number_total               2172
           Count of symmetry unique reflns         1486
           Completeness (_total/calc)            146.16%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured       686
           Fraction of Friedel pairs measured     0.462
           Are heavy atom types Z>Si present          yes

   1 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   3 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
   2 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion

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