checkCIF/PLATON report (basic structural check)

No syntax errors found.                               CIF dictionary
Please wait while processing .... Interpreting this report
Datablock: s92
Bond precision: C-C = 0.0107 A Wavelength=0.71073
Cell: a=11.972(2) b=10.107(2) c=15.432(3)
alpha=90 beta=93.73(3) gamma=90
Temperature: 150 K
Calculated Reported
Volume 1863.3(6) 1863.4(6)
Space group P 21/n P2(1)/n
Hall group -P 2yn ?
Moiety formula C19 H15 Au Cl N2 P S ?
Sum formula C19 H15 Au Cl N2 P S C19 H15 Au Cl N2 P S
Mr 566.79 566.78
Dx,g cm-3 2.020 2.020
Z 4 4
Mu (mm-1) 8.241 8.240
F000 1080.0 1080.0
F000' 1074.10
h,k,lmax 15,13,20 15,13,20
Nref 4274 4212
Tmin,Tmax 0.387,0.517 0.319,0.558
Tmin' 0.218
Correction method= MULTI-SCANS
Data completeness= 0.985 Theta(max)= 27.500
R(reflections)= 0.0499( 3191) wR2(reflections)= 0.1195( 4212)
S = 1.009 Npar= 227

The following ALERTS were generated. Each ALERT has the format
Click on the hyperlinks for more details of the test.

Alert level A PLAT093_ALERT_1_A No su's on H-atoms, but refinement reported as . mixed
Alert level C ABSTY02_ALERT_1_C An _exptl_absorpt_correction_type has been given without a literature citation. This should be contained in the _exptl_absorpt_process_details field. Absorption correction given as multi-scans PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ... 11 PLAT234_ALERT_4_C Large Hirshfeld Difference C10 -- C11 .. 0.16 Ang.
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 0.926 Tmax scaled 0.517 Tmin scaled 0.295 ABSTY01_ALERT_1_G Extra text has been found in the _exptl_absorpt_correction_type field, which should be only a single keyword. A literature citation should be included in the _exptl_absorpt_process_details field. PLAT062_ALERT_4_G Rescale T(min) & T(max) by ..................... 0.93 PLAT128_ALERT_4_G Non-standard setting of Space-group P21/c .... P21/n
1 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 3 ALERT level C = Check and explain 4 ALERT level G = General alerts; check 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 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 3 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 19/05/2009; check.def file version of 13/05/2009
Datablock s92 - ellipsoid plot

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