(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2009). E65, m1134 [ doi:10.1107/S1600536809033170 ]

[N'-(3-Methoxy-2-oxidobenzylidene)nicotinohydrazidato]diphenyltin(IV)

Z. Gao, X. Zhai, F. Zhou and Z. Cheng

Online 26 August 2009

Key indicators

Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.006 Å
R factor = 0.024
wR factor = 0.057
Data-to-parameter ratio = 13.4

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O5     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C47     
PLAT331_ALERT_2_C Small Average Phenyl   C-C Dist. C47    -C52           1.37 Ang. 
PLAT034_ALERT_1_C No Flack Parameter Given. Z .GT. Si, NonCentro .          ?

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           25.04
           From the CIF: _reflns_number_total               7970
           Count of symmetry unique reflns         4217
           Completeness (_total/calc)            189.00%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      3753
           Fraction of Friedel pairs measured     0.890
           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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   3 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
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check