[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, m1425
[ doi:10.1107/S1600536812044121 ]

Di-[mu]-sulfido-bis{[rac-1,2-bis([eta]5-4,5,6,7-tetrahydroinden-1-yl)ethane]zirconium(IV)} toluene monosolvate

M. Haehnel, K. Altenburger, A. Spannenberg, P. Arndt and U. Rosenthal


Key indicators

checkCIF/PLATON results

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Alert level B PLAT201_ALERT_2_B Isotropic non-H Atoms in Main Residue(s) ....... 2
Alert level C PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.438
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 6 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ... ? PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c ....... P21/n PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Zr1 -- S1 .. 8.5 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Zr1 -- S2 .. 8.0 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Zr2 -- S1 .. 6.5 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Zr2 -- S2 .. 8.0 su PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 5 Perc. PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 15 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 26
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 1 ALERT level C = Check. Ensure it is not caused by an omission or oversight 10 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 6 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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