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[Contents scheme]

Acta Cryst. (2013). E69, m328
[ doi:10.1107/S1600536813013056 ]

Tetraphenylphosphonium [[mu]3-(4-methylphenyl)tellurolato]tris[tetracarbonyliron(0)]

Y.-L. Li, B. Xie and L.-K. Zou


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 3.419 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 33 PLAT934_ALERT_3_C Number of (Iobs-Icalc)/SigmaW > 10 Outliers .... 1
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT230_ALERT_2_G Hirshfeld Test Diff for O2 -- C2 .. 5.5 su PLAT230_ALERT_2_G Hirshfeld Test Diff for O4 -- C4 .. 5.5 su PLAT230_ALERT_2_G Hirshfeld Test Diff for O11 -- C11 .. 6.0 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Te1 -- Fe2 .. 7.0 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Fe1 -- C1 .. 6.6 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Fe1 -- C2 .. 7.2 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Fe1 -- C3 .. 5.5 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Fe1 -- C4 .. 6.5 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Fe3 -- C9 .. 5.8 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Fe3 -- C10 .. 6.4 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Fe3 -- C11 .. 6.4 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Fe3 -- C12 .. 7.4 su PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 1 C13 -TE1 -FE1 -C2 -92.00 3.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 2 FE3 -TE1 -FE1 -C2 21.00 3.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 3 FE2 -TE1 -FE1 -C2 150.00 3.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 13 C13 -TE1 -FE2 -C7 152.30 1.40 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 14 FE3 -TE1 -FE2 -C7 37.50 1.40 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 15 FE1 -TE1 -FE2 -C7 -90.90 1.40 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 25 C13 -TE1 -FE3 -C10 92.70 1.60 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 26 FE1 -TE1 -FE3 -C10 -20.60 1.60 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 27 FE2 -TE1 -FE3 -C10 -149.60 1.60 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 37 C2 -FE1 -C1 -O1 -18.00 3.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 38 C4 -FE1 -C1 -O1 -110.00 3.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 39 C3 -FE1 -C1 -O1 73.00 3.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 40 TE1 -FE1 -C1 -O1 161.00 3.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 41 C4 -FE1 -C2 -O2 -141.00 19.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 42 C1 -FE1 -C2 -O2 95.00 19.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 43 C3 -FE1 -C2 -O2 -22.00 19.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 44 TE1 -FE1 -C2 -O2 -74.00 20.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 45 C2 -FE1 -C3 -O3 -11.00 7.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 46 C4 -FE1 -C3 -O3 80.00 7.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 47 C1 -FE1 -C3 -O3 -102.00 7.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 48 TE1 -FE1 -C3 -O3 167.00 7.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 49 C2 -FE1 -C4 -O4 35.00 10.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 50 C1 -FE1 -C4 -O4 126.00 10.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 51 C3 -FE1 -C4 -O4 -57.00 10.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 52 TE1 -FE1 -C4 -O4 -143.00 10.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 53 C7 -FE2 -C5 -O5 -36.00 6.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 54 C6 -FE2 -C5 -O5 55.00 6.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 55 C8 -FE2 -C5 -O5 -126.00 6.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 56 TE1 -FE2 -C5 -O5 147.00 6.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 57 C7 -FE2 -C6 -O6 17.00 5.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 58 C5 -FE2 -C6 -O6 -73.00 5.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 59 C8 -FE2 -C6 -O6 108.00 5.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 60 TE1 -FE2 -C6 -O6 -161.00 5.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 61 C6 -FE2 -C7 -O7 -94.00 30.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 62 C5 -FE2 -C7 -O7 23.00 30.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 63 C8 -FE2 -C7 -O7 144.00 30.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 64 TE1 -FE2 -C7 -O7 62.00 30.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 65 C7 -FE2 -C8 -O8 5.00 6.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 66 C6 -FE2 -C8 -O8 -86.00 6.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 67 C5 -FE2 -C8 -O8 95.00 6.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 68 TE1 -FE2 -C8 -O8 18.00 0.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 69 C10 -FE3 -C9 -O9 -36.00 4.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 70 C11 -FE3 -C9 -O9 53.00 4.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 71 C12 -FE3 -C9 -O9 -128.00 4.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 72 TE1 -FE3 -C9 -O9 141.00 4.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 73 C9 -FE3 -C10 -O10 108.00 13.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 74 C11 -FE3 -C10 -O10 -13.00 13.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 75 C12 -FE3 -C10 -O10 -134.00 13.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 76 TE1 -FE3 -C10 -O10 -30.00 14.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 77 C10 -FE3 -C11 -O11 9.00 5.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 78 C9 -FE3 -C11 -O11 -83.00 5.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 79 C12 -FE3 -C11 -O11 99.00 5.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 80 TE1 -FE3 -C11 -O11 -172.00 5.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 81 C10 -FE3 -C12 -O12 1.00 4.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 82 C9 -FE3 -C12 -O12 93.00 4.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 83 C11 -FE3 -C12 -O12 -88.00 4.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 84 TE1 -FE3 -C12 -O12 -176.00 4.00 1.555 1.555 1.555 1.555 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 141
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 3 ALERT level C = Check. Ensure it is not caused by an omission or oversight 72 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 12 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 58 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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