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 = 0.0089 A Wavelength=0.71073
Cell: a=14.9089(3) b=11.4831(2) c=16.9207(3)
alpha=90 beta=100.345(1) gamma=90
Temperature: 150 K
Calculated Reported
Volume 2849.74(9) 2849.74(9)
Space group P 21/n P2(1)/n
Hall group -P 2yn -P 2yn
Moiety formula C30 H24 N4 P2 Pt S2 ?
Sum formula C30 H24 N4 P2 Pt S2 C30 H24 N4 P2 Pt S2
Mr 761.69 761.68
Dx,g cm-3 1.775 1.775
Z 4 4
Mu (mm-1) 5.211 5.211
F000 1488.0 1488.0
F000' 1483.55
h,k,lmax 17,13,20 17,13,20
Nref 5036 5022
Tmin,Tmax 0.600,0.594 0.624,0.624
Tmin' 0.588
Correction method= EMPIRICAL
Data completeness= 0.997 Theta(max)= 25.030
R(reflections)= 0.0311( 4354) wR2(reflections)= 0.0791( 5022)
S = 1.037 Npar= 353

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

Alert level A PLAT220_ALERT_2_A Large Non-Solvent C Ueq(max)/Ueq(min) ... 5.45 Ratio
Alert level B PLAT222_ALERT_3_B Large Non-Solvent H Ueq(max)/Ueq(min) ... 4.64 Ratio PLAT230_ALERT_2_B Hirshfeld Test Diff for C15 -- C16 .. 8.30 su PLAT230_ALERT_2_B Hirshfeld Test Diff for C16 -- C17 .. 8.61 su PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for C15 PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for C16
Alert level C PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C17 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C13 PLAT332_ALERT_2_C Large Phenyl C-C Range C13 -C18 0.16 Ang. PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang .. 9 PLAT411_ALERT_2_C Short Inter H...H Contact H15 .. H15 .. 2.06 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C13 -- C14 .. 0.17 Ang.
Alert level G PLAT128_ALERT_4_G Non-standard setting of Space-group P21/c .... P21/n
1 ALERT level A = In general: serious problem 5 ALERT level B = Potentially serious problem 6 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 9 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 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 13/08/2009; check.def file version of 12/08/2009
Datablock s92 - ellipsoid plot

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