Acta Cryst. (2006). E62, m3432-m3434  [ doi:10.1107/S1600536806048082 ]

Bis(4-formylbenzoato-²O,O')(1,10-phenanthroline-²N,N')cadmium(II)-bis(₂-4-formylbenzoato-²O:O')bis[(4-formylbenzoato-²O,O')(1,10-phenanthroline-²N,N')cadmium(II)] (1/1)

Z.-P. Deng, S. Gao and S. W. Ng

Online 24 November 2006

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean (C-C) = 0.006 Å
• R factor = 0.033
• wR factor = 0.069
• Data-to-parameter ratio = 16.8

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Cd2    -   O7_b    ..      26.35 su   

Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
            Tmin and Tmax reported:      0.585     0.850
            Tmin(prime) and Tmax expected:      0.709     0.845
            RR(prime) =      0.820
            Please check that your absorption correction is appropriate.
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large .............       0.81      
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C40    -   C41     ..       5.24 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Cd2    -   O4      ..       7.88 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Cd2    -   O5      ..       6.14 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Cd1    -   O1      ..       6.03 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Cd1    -   O2      ..       6.72 su   
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O4     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O5     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O1     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         C4     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C2     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C5     

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           27.50
           From the CIF: _reflns_number_total               8434
           Count of symmetry unique reflns         4733
           Completeness (_total/calc)            178.20%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      3701
           Fraction of Friedel pairs measured     0.782
           Are heavy atom types Z>Si present        yes

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
  13 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
  12 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
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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