(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, m193-m195 [ doi:10.1107/S1600536803028605 ]

The two-dimensional coordination polymer poly[[silver(I)-di--1,5-bis(phenylsulfanyl)pentane] tetrafluoroborate]

M. Du and X.-J. Zhao

Online 17 January 2004

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.007 Å
Disorder in solvent or counterion
R factor = 0.030
wR factor = 0.064
Data-to-parameter ratio = 11.9

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT128_ALERT_4_C Non-standard setting of Space group Pc      ....    Pn            
PLAT243_ALERT_4_C High Solvent U(eq) as Compared to Neighbors ....         F1     
PLAT243_ALERT_4_C High Solvent U(eq) as Compared to Neighbors ....        F2'     
PLAT243_ALERT_4_C High Solvent U(eq) as Compared to Neighbors ....         F3     
PLAT243_ALERT_4_C High Solvent U(eq) as Compared to Neighbors ....        F3'     
PLAT244_ALERT_4_C Low Solvent  U(eq) as Compared to Neighbors ....        F1'     
PLAT244_ALERT_4_C Low Solvent  U(eq) as Compared to Neighbors ....         B1     
PLAT250_ALERT_2_C Large U3/U1 ratio for average U(i,j) tensor ....       2.26       
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      38.00 Perc. 
PLAT850_ALERT_2_C Check Flack Parameter Value of 0.0 with su gt 0           !

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           25.03
           From the CIF: _reflns_number_total               5074
           Count of symmetry unique reflns         3085
           Completeness (_total/calc)            164.47%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      1989
           Fraction of Friedel pairs measured     0.645
           Are heavy atom types Z>Si present          yes

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  10 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
   9 ALERT type 4 Improvement, methodology, query or suggestion