checkCIF/PLATON report (basic structural check)

No syntax errors found.                               CIF dictionary
Please wait while processing .... Interpreting this report
Datablock: 2009src0359
Bond precision: C-C = 0.0048 A Wavelength=0.71073
Cell: a=13.2510(2) b=8.7390(2) c=17.9308(4)
alpha=90 beta=110.145(1) gamma=90
Temperature: 120 K
Calculated Reported
Volume 1949.37(7) 1949.37(7)
Space group P 21/c P2(1)/c
Hall group -P 2ybc ?
Moiety formula C18 H29 Cl2 Ir N2 ?
Sum formula C18 H29 Cl2 Ir N2 C18 H29 Cl2 Ir N2
Mr 536.55 536.53
Dx,g cm-3 1.828 1.828
Z 4 4
Mu (mm-1) 7.124 7.124
F000 1048.0 1048.0
F000' 1043.94
h,k,lmax 17,11,23 17,11,23
Nref 4477 4469
Tmin,Tmax 0.373,0.652 0.330,0.674
Tmin' 0.231
Correction method= MULTI-SCAN
Data completeness= 0.998 Theta(max)= 27.480
R(reflections)= 0.0239( 3984) wR2(reflections)= 0.0470( 4469)
S = 1.105 Npar= 215

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

Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.61 Ratio PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Ir1 -- Cl2 .. 5.46 su
Alert level G PLAT062_ALERT_4_G Rescale T(min) & T(max) by ..................... 0.97 PLAT180_ALERT_4_G Check Cell Rounding: # of Values Ending with 0 = 3
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 2 ALERT level C = Check and explain 2 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 2 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 09/04/2009; check.def file version of 08/04/2009
Datablock 2009src0359 - ellipsoid plot

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