checkCIF/PLATON report (basic structural check)

No syntax errors found.                               CIF dictionary
Please wait while processing ....                     Interpreting this report

Datablock: 2008src1017

Bond precision: C-C = 0.0117 A Wavelength=0.71073

`Cell:`	`a=10.6069(12)`	`b=10.7107(13)`	`c=10.7782(15)`
	`alpha=83.058(7)`	`beta=64.192(6)`	`gamma=88.751(9)`
`Temperature:`	`120 K`

	`Calculated`	`Reported`
`Volume`	`1093.6(2)`	`1093.6(2)`
`Space group`	`P -1`	`P-1`
`Hall group`	`-P 1`	`?`
`Moiety formula`	`C10 H22 N2 O2 Si2`	`?`
`Sum formula`	`C10 H22 N2 O2 Si2`	`C10 H22 N2 O2 Si2`
`Mr`	`258.48`	`258.48`
`Dx,g cm-3`	`1.177`	`1.177`
`Z`	`3`	`3`
`Mu (mm-1)`	`0.234`	`0.234`
`F000`	`420.0`	`420.0`
`F000'`	`420.61`
`h,k,lmax`	`13,13,13`	`13,13,13`
`Nref`	`5007`	`4889`
`Tmin,Tmax`	`0.978,0.995`
`Tmin'`	`0.968`

Correction method= Not given

Data completeness= Ratio = 0.976 Theta(max)= 27.480

R(reflections)= 0.1451( 2657) wR2(reflections)= 0.2719( 4889)

S = 1.176 Npar= 226

The following ALERTS were generated. Each ALERT has the format
       test-name_ALERT_alert-type_alert-level.
Click on the hyperlinks for more details of the test.
Alert level B
RINTA01_ALERT_3_B  The value of Rint is greater than 0.15
            Rint given   0.152
PLAT340_ALERT_3_B Low Bond Precision on C-C Bonds (x 1000) Ang ...         12      
Alert level C
RFACG01_ALERT_3_C  The value of the R factor is > 0.10
            R factor given   0.145
RFACR01_ALERT_3_C  The value of the weighted R factor is > 0.25
            Weighted R factor given   0.272
PLAT020_ALERT_3_C The value of Rint is greater than 0.12 .........       0.15      
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.98      
PLAT082_ALERT_2_C High R1 Value ..................................       0.15      
PLAT083_ALERT_2_C SHELXL Second Parameter in WGHT unusually Large.       9.00      
PLAT084_ALERT_2_C High R2 Value ..................................       0.27      
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT234_ALERT_4_C Large Hirshfeld Difference Si1    --  C9      ..       0.14  Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference Si3    --  C11     ..       0.11  Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference Si3    --  C12     ..       0.11  Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference O2     --  C2      ..       0.12  Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference N4     --  C5      ..       0.13  Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference Si2    --  N21     ..       0.11  Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference Si2    --  C28     ..       0.14  Ang.
   0 ALERT level A = In general: serious problem
   2 ALERT level B = Potentially serious problem
  15 ALERT level C = Check and explain
   0 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
   6 ALERT type 3 Indicator that the structure quality may be low
   7 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

Publication of your CIF in IUCr journals

A basic structural check has been run on your CIF. These basic checks will be run on all CIFs submitted for publication in IUCr journals (Acta Crystallographica, Journal of Applied Crystallography, Journal of Synchrotron Radiation); however, if you intend to submit to Acta Crystallographica Section C or E, you should make sure that full publication checks are run on the final version of your CIF prior to submission.

Publication of your CIF in other journals

Please refer to the Notes for Authors of the relevant journal for any special instructions relating to CIF submission.

PLATON version of 12/11/2008; check.def file version of 12/11/2008

Datablock 2008src1017 - ellipsoid plot

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