checkCIF/PLATON report (basic structural check)

No syntax errors found.                               CIF dictionary
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Datablock: 92car011
Bond precision: C-C = 0.0160 A Wavelength=0.71069
Cell: a=8.397(3) b=27.420(8) c=10.898(4)
alpha=90 beta=96.92(1) gamma=90
Temperature: 293 K
Calculated Reported
Volume 2490.9(15) 2490.9(15)
Space group P 21/c P2(1)/c
Hall group -P 2ybc -P 2ybc
Moiety formula C22 H18 N4 Pt, 2(Cl O4) ?
Sum formula C22 H18 Cl2 N4 O8 Pt C22 H18 Cl2 N4 O8 Pt
Mr 732.38 732.39
Dx,g cm-3 1.953 1.953
Z 4 4
Mu (mm-1) 5.903 5.699
F000 1416.0 1416.0
F000' 1411.19
h,k,lmax 10,35,14 10,35,13
Nref 5710 2819
Tmin,Tmax 0.584,0.710 0.163,0.726
Tmin' 0.057
Correction method= EMPIRICAL
Data completeness= 0.494 Theta(max)= 27.490
R(reflections)= 0.0331( 2819) wR2(reflections)= 0.1051( 2819)
S = 1.129 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 REFLT03_ALERT_3_A Reflection count < 85% complete (theta max?) From the CIF: _diffrn_reflns_theta_max 27.49 From the CIF: _diffrn_reflns_theta_full 27.49 From the CIF: _reflns_number_total 2819 TEST2: Reflns within _diffrn_reflns_theta_max Count of symmetry unique reflns 5710 Completeness (_total/calc) 49.37% PLAT022_ALERT_3_A Ratio Unique / Expected Reflections too Low .... 0.49 PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.49 PLAT940_ALERT_3_A F**2 Refinement with I .GT. n * Sigma(I) only .. ?
Alert level B PLAT088_ALERT_3_B Poor Data / Parameter Ratio .................... 7.99
Alert level C ABSMU01_ALERT_1_C The ratio of given/expected absorption coefficient lies outside the range 0.99 <> 1.01 Calculated value of mu = 5.903 Value of mu given = 5.699 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C12 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C13 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C21 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N3 PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang .. 16 PLAT051_ALERT_1_C Mu(calc) and Mu(CIF) Ratio Differs from 1.0 by . 3.58 Perc. PLAT194_ALERT_1_C Missing _cell_measurement_reflns_used datum .... ? PLAT195_ALERT_1_C Missing _cell_measurement_theta_max datum .... ? PLAT196_ALERT_1_C Missing _cell_measurement_theta_min datum .... ? PLAT234_ALERT_4_C Large Hirshfeld Difference C7 -- C8 .. 0.20 Ang. PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of Cl2
Alert level G PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 17.00 Perc. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF ...... 40.00 Deg. O8B -CL2 -O7A 1.555 1.555 1.555
4 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 12 ALERT level C = Check and explain 4 ALERT level G = General alerts; check 7 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 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 4 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 92car011 - ellipsoid plot

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