Acta Cryst. (2006). E62, m3451-m3452  [ doi:10.1107/S1600536806048860 ]

(2-Formyl-6-methoxyphenolato-²O,O')-cis-dimethyl-trans-bis(trimethylphosphine-P)cobalt(III)

J. Zhou, S. Fang, H. Sun and X. Li

Online 24 November 2006

Key indicators

• Single-crystal X-ray study
• T = 294 K
• Mean (C-C) = 0.008 Å
• R factor = 0.042
• wR factor = 0.109
• Data-to-parameter ratio = 17.5

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for         P1     
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for         P4     

Alert level C
PLAT034_ALERT_1_C No Flack Parameter Given. Z .GT. Si, NonCentro .          ?
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.13 Ratio
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.93 Ratio
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         P2     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         P3     
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          8      

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           25.01
           From the CIF: _reflns_number_total               7286
           Count of symmetry unique reflns         4121
           Completeness (_total/calc)            176.80%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      3165
           Fraction of Friedel pairs measured     0.768
           Are heavy atom types Z>Si present        yes

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   6 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
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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