HTTP/1.1 200 OK Date: Tue, 20 Sep 2005 14:08:28 GMT Server: Apache/1.3.33 (Unix) mod_perl/1.29 Connection: close Content-Type: text/html; charset=ISO-8859-1 checkCIF/PLATON report (basic structural check)

checkCIF/PLATON report (basic structural check)

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

Datablock: 00mau003

Bond precision: C-C = 0.0067 A Wavelength=0.71073

`Cell:`	`a=6.9169(14)`	`b=21.853(4)`	`c=6.7218(13)`
	`alpha=90`	`beta=110.79(3)`	`gamma=90`

	`Calculated`	`Reported`
`Volume`	`949.9(4)`	`949.9(3)`
`Space group`	`P 21/c`	`P2(1)/c`
`Hall group`	`-P 2ybc`	`?`
`Moiety formula`	`C12 H18 Cl2 N6 O6 Pt`	`?`
`Sum formula`	`C12 H18 Cl2 N6 O6 Pt`	`C12 H18 Cl2 N6 O6 Pt`
`Mr`	`608.30`	`608.31`
`Dx,g cm-3`	`2.127`	`2.127`
`Z`	`2`	`2`
`Mu (mm-1)`	`7.710`	`7.710`
`F000`	`584.0`	`584.0`
`F000'`	`581.55`
`h,k,lmax`	`8,28,8`	`8,28,8`
`Nref`	`2172`	`2123`
`Tmin,Tmax`	`0.233,0.214`	`0.308,0.308`
`Tmin'`	`0.233`

Correction method= 'MULTI-SCAN'

Data completeness= Ratio = 0.98 Theta(max)= 27.49

R(reflections)= 0.0433( 1832) wR2(reflections)= 0.1258( 2123)

S = 1.086 Npar= 127

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 C
CRYSC01_ALERT_1_C No recognised colour has been given for crystal colour.
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.98       
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.69       
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.22       
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      0.695
            Tmax scaled      0.214 Tmin scaled      0.214
   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   5 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

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

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 12/04/2005; check.def file version of 22/03/2005

Datablock 00mau003 - ellipsoid plot

Download CIF editor (enCIFer) from the CCDC
Test a new CIF entry