Acta Cryst. (2006). E62, m620-m622  [ doi:10.1107/S1600536806006222 ]

Bis(2,2'-bipyridine-²N,N')copper(I) trifluoromethanesulfonate

P. Tomislav

Online 28 February 2006

Key indicators

• Single-crystal X-ray study
• T = 273 K
• Mean (C-C) = 0.006 Å
• R factor = 0.036
• wR factor = 0.126
• Data-to-parameter ratio = 17.6

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT230_ALERT_2_C Hirshfeld Test Diff for    N2     -   C1      ..       5.03 su    
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        Cu1     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         S1     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C21     

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           27.90
           From the CIF: _reflns_number_total               5247
           Count of symmetry unique reflns         2973
           Completeness (_total/calc)            176.49%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      2274
           Fraction of Friedel pairs measured     0.765
           Are heavy atom types Z>Si present        yes

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

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