Acta Cryst. (2004). E60, m408-m409  [ doi:10.1107/S1600536804005148 ]

Cyclopentyl{2-[(2,6-diisopropylphenyl)amino]-4-[(2,6-diisopropylphenyl)imino]pent-2-enato-²N,N'}(tetrahydrofuran-O)magnesium(II)

K. H. D. Ballem, K. M. Smith and B. O. Patrick

Online 20 March 2004

Key indicators

• Single-crystal X-ray study
• T = 173 K
• Mean (C-C) = 0.005 Å
• R factor = 0.051
• wR factor = 0.122
• Data-to-parameter ratio = 14.5

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT035_ALERT_1_A No _chemical_absolute_configuration info given .          ?
PLAT222_ALERT_3_A Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       5.22 Ratio 

Alert level B
PLAT201_ALERT_2_B Isotropic non-H Atoms in Main Residue(s) .......          4       
PLAT220_ALERT_2_B Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       4.36 Ratio 

Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
            Tmin and Tmax reported:      0.632     0.849
            Tmin' and Tmax expected:      0.960     0.984
            RR' =      0.763
            Please check that your absorption correction is appropriate.
PLAT024_ALERT_4_C Merging of Friedel Data Preferred for Z<=Si ....          !
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.97       
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large .............       0.76       
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       1.16       
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....        C33     
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....       C31B     
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....       C33B     
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....       C36B     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C24     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C32     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....       C32B     
PLAT301_ALERT_3_C Main Residue  Disorder .........................      11.00 Perc. 
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          5       
PLAT701_ALERT_1_C Bond    Calc    2.069(2), Rep    2.066(2), Dev..       1.50 Sigma 
              N1   -MG1     1.555   1.555                                       

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      1.160
            Tmax scaled      0.984 Tmin scaled      0.733
REFLT03_ALERT_4_G  ALERT: MoKa measured Friedel data cannot be used to
                   determine absolute structure in a light-atom
                   study EXCEPT under VERY special conditions.
                   It is preferred that Friedel data is merged in such cases.
           From the CIF: _diffrn_reflns_theta_max           25.05
           From the CIF: _reflns_number_total               6009
           Count of symmetry unique reflns         3272
           Completeness (_total/calc)            183.65%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      2737
           Fraction of Friedel pairs measured     0.836
           Are heavy atom types Z>Si present           no

   2 ALERT level A = In general: serious problem
   2 ALERT level B = Potentially serious problem
  16 ALERT level C = Check and explain
   2 ALERT level G = General alerts; check

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

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