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Acta Cryst. (2004). E60, m690-m692 [ doi:10.1107/S1600536804009948 ]
Di-![[mu]](/logos/entities/mu_rmgif.gif)
-phenylmethanethiolato--sulfido-bis[carbonyl(![[eta]](/logos/entities/eta_rmgif.gif)
5-cyclopentadienyl)molybdenum(III)]
R. C. S. Wong, M. L. Ooi and S. W. Ng
Online 30 April 2004
Key indicators
- Single-crystal X-ray study
- T = 223 K
- Mean
![[sigma]](http://journals.iucr.org/logos/entities/sigma_rmgif.gif)
(C-C) = 0.010 Å
- R factor = 0.066
- wR factor = 0.216
- Data-to-parameter ratio = 22.2
checkCIF/PLATON results
No syntax errors found
Alert level B
PLAT733_ALERT_1_B Torsion Calc 117.2(5), Rep 117.20(10) ...... 5.00 su-Rat
C5A -MO1A-C1A -C2A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc -117.2(5), Rep -117.20(10) ...... 5.00 su-Rat
C2A -MO1A-C1A -C5A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc -116.7(5), Rep -116.70(10) ...... 5.00 su-Rat
C3A -MO1A-C2A -C1A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc 116.7(5), Rep 116.70(10) ...... 5.00 su-Rat
C1A -MO1A-C2A -C3A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc -115.7(5), Rep -115.80(10) ...... 5.00 su-Rat
C4A -MO1A-C3A -C2A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc 37.7(4), Rep 37.70(8) ...... 5.00 su-Rat
C5A -MO1A-C3A -C4A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc 115.7(5), Rep 115.80(10) ...... 5.00 su-Rat
C2A -MO1A-C3A -C4A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc 115.6(5), Rep 115.60(10) ...... 5.00 su-Rat
C3A -MO1A-C4A -C5A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc 37.0(4), Rep 36.97(8) ...... 5.00 su-Rat
C1A -MO1A-C4A -C5A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc -115.6(5), Rep -115.60(10) ...... 5.00 su-Rat
C5A -MO1A-C4A -C3A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc -116.5(5), Rep -116.50(10) ...... 5.00 su-Rat
C1A -MO1A-C5A -C4A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc 116.5(5), Rep 116.50(10) ...... 5.00 su-Rat
C4A -MO1A-C5A -C1A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc 117.2(5), Rep 117.30(10) ...... 5.00 su-Rat
C10A-MO2A-C6A -C7A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc -117.2(5), Rep -117.30(10) ...... 5.00 su-Rat
C7A -MO2A-C6A -C10A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc -116.7(5), Rep -116.70(10) ...... 5.00 su-Rat
C8A -MO2A-C7A -C6A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc 116.7(5), Rep 116.70(10) ...... 5.00 su-Rat
C6A -MO2A-C7A -C8A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc 115.8(5), Rep 115.70(10) ...... 5.00 su-Rat
C7A -MO2A-C8A -C9A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc -115.8(5), Rep -115.70(10) ...... 5.00 su-Rat
C9A -MO2A-C8A -C7A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc -115.5(5), Rep -115.60(10) ...... 5.00 su-Rat
C10A-MO2A-C9A -C8A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc 115.5(5), Rep 115.60(10) ...... 5.00 su-Rat
C8A -MO2A-C9A -C10A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc 116.5(5), Rep 116.50(10) ...... 5.00 su-Rat
C9A -MO2A-C10A-C6A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc -116.5(5), Rep -116.50(10) ...... 5.00 su-Rat
C6A -MO2A-C10A-C9A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc 117.0(5), Rep 117.00(10) ...... 5.00 su-Rat
C2B -MO1B-C1B -C5B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc -117.0(5), Rep -117.00(10) ...... 5.00 su-Rat
C5B -MO1B-C1B -C2B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc 116.2(5), Rep 116.10(10) ...... 5.00 su-Rat
C3B -MO1B-C2B -C1B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc -37.9(4), Rep -37.92(8) ...... 5.00 su-Rat
C4B -MO1B-C2B -C3B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc -116.2(5), Rep -116.10(10) ...... 5.00 su-Rat
C1B -MO1B-C2B -C3B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc -115.5(5), Rep -115.60(10) ...... 5.00 su-Rat
C2B -MO1B-C3B -C4B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc 115.5(5), Rep 115.60(10) ...... 5.00 su-Rat
C4B -MO1B-C3B -C2B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc -116.1(5), Rep -116.00(10) ...... 5.00 su-Rat
C3B -MO1B-C4B -C5B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc 116.0(5), Rep 116.00(10) ...... 5.00 su-Rat
C5B -MO1B-C4B -C3B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc -116.9(5), Rep -116.90(10) ...... 5.00 su-Rat
C4B -MO1B-C5B -C1B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc 116.9(5), Rep 116.90(10) ...... 5.00 su-Rat
C1B -MO1B-C5B -C4B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc 117.2(5), Rep 117.20(10) ...... 5.00 su-Rat
C10B-MO2B-C6B -C7B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc -117.2(5), Rep -117.20(10) ...... 5.00 su-Rat
C7B -MO2B-C6B -C10B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc -116.9(5), Rep -116.90(10) ...... 5.00 su-Rat
C8B -MO2B-C7B -C6B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc 116.9(5), Rep 116.90(10) ...... 5.00 su-Rat
C6B -MO2B-C7B -C8B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc 115.8(5), Rep 115.90(10) ...... 5.00 su-Rat
C7B -MO2B-C8B -C9B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc -115.8(5), Rep -115.90(10) ...... 5.00 su-Rat
C9B -MO2B-C8B -C7B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc -115.6(5), Rep -115.50(10) ...... 5.00 su-Rat
C10B-MO2B-C9B -C8B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc 115.6(5), Rep 115.50(10) ...... 5.00 su-Rat
C8B -MO2B-C9B -C10B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc -116.3(5), Rep -116.20(10) ...... 5.00 su-Rat
C6B -MO2B-C10B-C9B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc 116.3(5), Rep 116.20(10) ...... 5.00 su-Rat
C9B -MO2B-C10B-C6B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc -117.3(5), Rep -117.30(10) ...... 5.00 su-Rat
C2C -MO1C-C1C -C5C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc 117.3(5), Rep 117.30(10) ...... 5.00 su-Rat
C5C -MO1C-C1C -C2C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc 116.4(5), Rep 116.40(10) ...... 5.00 su-Rat
C1C -MO1C-C2C -C3C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc -116.4(5), Rep -116.40(10) ...... 5.00 su-Rat
C3C -MO1C-C2C -C1C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc 115.4(5), Rep 115.50(10) ...... 5.00 su-Rat
C2C -MO1C-C3C -C4C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc -115.4(5), Rep -115.50(10) ...... 5.00 su-Rat
C4C -MO1C-C3C -C2C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc 115.8(5), Rep 115.80(10) ...... 5.00 su-Rat
C3C -MO1C-C4C -C5C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc -115.8(5), Rep -115.80(10) ...... 5.00 su-Rat
C5C -MO1C-C4C -C3C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc -116.9(5), Rep -116.90(10) ...... 5.00 su-Rat
C1C -MO1C-C5C -C4C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc 116.9(5), Rep 116.90(10) ...... 5.00 su-Rat
C4C -MO1C-C5C -C1C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc -117.1(5), Rep -117.10(10) ...... 5.00 su-Rat
C7C -MO2C-C6C -C10C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc 117.1(5), Rep 117.10(10) ...... 5.00 su-Rat
C10C-MO2C-C6C -C7C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc 116.4(5), Rep 116.30(10) ...... 5.00 su-Rat
C6C -MO2C-C7C -C8C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc -116.4(5), Rep -116.30(10) ...... 5.00 su-Rat
C8C -MO2C-C7C -C6C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc 115.6(5), Rep 115.60(10) ...... 5.00 su-Rat
C7C -MO2C-C8C -C9C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc -115.6(5), Rep -115.60(10) ...... 5.00 su-Rat
C9C -MO2C-C8C -C7C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc -115.9(5), Rep -115.90(10) ...... 5.00 su-Rat
C10C-MO2C-C9C -C8C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_B Torsion Calc 115.9(5), Rep 115.90(10) ...... 5.00 su-Rat
C8C -MO2C-C9C -C10C 1.555 1.555 1.555 1.555
Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ?
PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.98
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ?
PLAT165_ALERT_3_C Nr. of Status R Flagged Non-Hydrogen Atoms ..... 66
PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.70 Ratio
PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.00 Ratio
PLAT230_ALERT_2_C Hirshfeld Test Diff for O2A - C12A .. 6.56 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Mo2A - C12A .. 8.94 su
PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C14C
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 10
PLAT732_ALERT_1_C Angle Calc 35.6(2), Rep 35.65(7) ...... 2.86 su-Rat
C4C -MO1C -C5C 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 79.6(4), Rep 79.60(10) ...... 4.00 su-Rat
C4A -MO1A-C1A -C2A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 37.4(3), Rep 37.40(10) ...... 3.00 su-Rat
C3A -MO1A-C1A -C2A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -37.6(4), Rep -37.60(10) ...... 4.00 su-Rat
C4A -MO1A-C1A -C5A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -79.9(4), Rep -79.80(10) ...... 4.00 su-Rat
C3A -MO1A-C1A -C5A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 62.3(5), Rep 62.3(2) ...... 2.50 su-Rat
C5A -C1A -C2A -MO1A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -78.7(4), Rep -78.70(10) ...... 4.00 su-Rat
C4A -MO1A-C2A -C1A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -36.8(4), Rep -36.80(10) ...... 4.00 su-Rat
C5A -MO1A-C2A -C1A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 38.0(4), Rep 38.00(10) ...... 4.00 su-Rat
C4A -MO1A-C2A -C3A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 79.9(4), Rep 79.90(10) ...... 4.00 su-Rat
C5A -MO1A-C2A -C3A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -78.0(4), Rep -78.10(10) ...... 4.00 su-Rat
C5A -MO1A-C3A -C2A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -36.9(3), Rep -36.90(10) ...... 3.00 su-Rat
C1A -MO1A-C3A -C2A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 78.9(4), Rep 78.90(10) ...... 4.00 su-Rat
C1A -MO1A-C3A -C4A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 78.1(4), Rep 78.10(10) ...... 4.00 su-Rat
C2A -MO1A-C4A -C5A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -37.6(3), Rep -37.50(10) ...... 3.00 su-Rat
C2A -MO1A-C4A -C3A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -78.7(4), Rep -78.70(10) ...... 4.00 su-Rat
C1A -MO1A-C4A -C3A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 64.5(5), Rep 64.5(2) ...... 2.50 su-Rat
C3A -C4A -C5A -MO1A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -62.6(5), Rep -62.6(2) ...... 2.50 su-Rat
C2A -C1A -C5A -MO1A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -38.0(3), Rep -38.00(10) ...... 3.00 su-Rat
C3A -MO1A-C5A -C4A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -79.7(3), Rep -79.70(10) ...... 3.00 su-Rat
C2A -MO1A-C5A -C4A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 78.5(4), Rep 78.50(10) ...... 4.00 su-Rat
C3A -MO1A-C5A -C1A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 36.7(4), Rep 36.70(10) ...... 4.00 su-Rat
C2A -MO1A-C5A -C1A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 79.7(4), Rep 79.70(10) ...... 4.00 su-Rat
C9A -MO2A-C6A -C7A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 37.3(3), Rep 37.40(10) ...... 3.00 su-Rat
C8A -MO2A-C6A -C7A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -37.6(3), Rep -37.60(10) ...... 3.00 su-Rat
C9A -MO2A-C6A -C10A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -79.9(3), Rep -79.90(10) ...... 3.00 su-Rat
C8A -MO2A-C6A -C10A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -78.7(4), Rep -78.70(10) ...... 4.00 su-Rat
C9A -MO2A-C7A -C6A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -36.8(3), Rep -36.80(10) ...... 3.00 su-Rat
C10A-MO2A-C7A -C6A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 38.0(3), Rep 38.03(8) ...... 3.75 su-Rat
C9A -MO2A-C7A -C8A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 80.0(4), Rep 80.00(10) ...... 4.00 su-Rat
C10A-MO2A-C7A -C8A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 37.8(3), Rep 37.70(10) ...... 3.00 su-Rat
C10A-MO2A-C8A -C9A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 79.0(4), Rep 78.90(10) ...... 4.00 su-Rat
C6A -MO2A-C8A -C9A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -78.0(4), Rep -78.00(10) ...... 4.00 su-Rat
C10A-MO2A-C8A -C7A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -36.8(3), Rep -36.80(8) ...... 3.75 su-Rat
C6A -MO2A-C8A -C7A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -37.5(3), Rep -37.60(10) ...... 3.00 su-Rat
C7A -MO2A-C9A -C8A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -78.6(4), Rep -78.60(10) ...... 4.00 su-Rat
C6A -MO2A-C9A -C8A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 78.0(4), Rep 78.00(10) ...... 4.00 su-Rat
C7A -MO2A-C9A -C10A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 36.9(3), Rep 37.00(10) ...... 3.00 su-Rat
C6A -MO2A-C9A -C10A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 78.4(4), Rep 78.40(10) ...... 4.00 su-Rat
C8A -MO2A-C10A-C6A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 36.7(3), Rep 36.70(10) ...... 3.00 su-Rat
C7A -MO2A-C10A-C6A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -38.1(3), Rep -38.10(10) ...... 3.00 su-Rat
C8A -MO2A-C10A-C9A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -79.8(4), Rep -79.80(10) ...... 4.00 su-Rat
C7A -MO2A-C10A-C9A 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 79.3(4), Rep 79.20(10) ...... 4.00 su-Rat
C3B -MO1B-C1B -C5B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 37.2(4), Rep 37.10(10) ...... 4.00 su-Rat
C4B -MO1B-C1B -C5B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -37.8(3), Rep -37.80(10) ...... 3.00 su-Rat
C3B -MO1B-C1B -C2B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -79.9(4), Rep -79.90(10) ...... 4.00 su-Rat
C4B -MO1B-C1B -C2B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -63.3(5), Rep -63.2(2) ...... 2.50 su-Rat
C5B -C1B -C2B -MO1B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 78.2(4), Rep 78.20(10) ...... 4.00 su-Rat
C4B -MO1B-C2B -C1B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 36.7(4), Rep 36.70(10) ...... 4.00 su-Rat
C5B -MO1B-C2B -C1B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -79.4(4), Rep -79.40(10) ...... 4.00 su-Rat
C5B -MO1B-C2B -C3B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -37.3(4), Rep -37.30(10) ...... 4.00 su-Rat
C5B -MO1B-C3B -C4B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -78.3(4), Rep -78.40(10) ...... 4.00 su-Rat
C1B -MO1B-C3B -C4B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 78.2(4), Rep 78.30(10) ...... 4.00 su-Rat
C5B -MO1B-C3B -C2B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 37.2(3), Rep 37.20(10) ...... 3.00 su-Rat
C1B -MO1B-C3B -C2B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -78.2(4), Rep -78.10(10) ...... 4.00 su-Rat
C2B -MO1B-C4B -C5B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -36.8(4), Rep -36.80(10) ...... 4.00 su-Rat
C1B -MO1B-C4B -C5B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 37.9(3), Rep 37.87(8) ...... 3.75 su-Rat
C2B -MO1B-C4B -C3B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 79.3(4), Rep 79.30(10) ...... 4.00 su-Rat
C1B -MO1B-C4B -C3B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -79.1(4), Rep -79.10(10) ...... 4.00 su-Rat
C3B -MO1B-C5B -C1B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -37.0(4), Rep -37.00(10) ...... 4.00 su-Rat
C2B -MO1B-C5B -C1B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 37.8(3), Rep 37.80(10) ...... 3.00 su-Rat
C3B -MO1B-C5B -C4B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 79.9(3), Rep 79.90(10) ...... 3.00 su-Rat
C2B -MO1B-C5B -C4B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 79.4(3), Rep 79.40(10) ...... 3.00 su-Rat
C9B -MO2B-C6B -C7B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 37.2(3), Rep 37.20(10) ...... 3.00 su-Rat
C8B -MO2B-C6B -C7B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -37.7(4), Rep -37.70(10) ...... 4.00 su-Rat
C9B -MO2B-C6B -C10B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -80.0(4), Rep -80.00(10) ...... 4.00 su-Rat
C8B -MO2B-C6B -C10B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -79.0(4), Rep -79.00(10) ...... 4.00 su-Rat
C9B -MO2B-C7B -C6B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -36.9(4), Rep -36.90(10) ...... 4.00 su-Rat
C10B-MO2B-C7B -C6B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 38.0(3), Rep 37.96(8) ...... 3.75 su-Rat
C9B -MO2B-C7B -C8B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 80.0(4), Rep 80.00(10) ...... 4.00 su-Rat
C10B-MO2B-C7B -C8B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 63.6(5), Rep 63.6(2) ...... 2.50 su-Rat
C6B -C7B -C8B -MO2B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 37.8(3), Rep 37.90(10) ...... 3.00 su-Rat
C10B-MO2B-C8B -C9B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 79.1(4), Rep 79.20(10) ...... 4.00 su-Rat
C6B -MO2B-C8B -C9B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -78.0(4), Rep -78.00(10) ...... 4.00 su-Rat
C10B-MO2B-C8B -C7B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -36.7(4), Rep -36.70(10) ...... 4.00 su-Rat
C6B -MO2B-C8B -C7B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -37.5(4), Rep -37.40(10) ...... 4.00 su-Rat
C7B -MO2B-C9B -C8B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -78.5(4), Rep -78.40(10) ...... 4.00 su-Rat
C6B -MO2B-C9B -C8B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 78.1(4), Rep 78.10(10) ...... 4.00 su-Rat
C7B -MO2B-C9B -C10B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 37.1(4), Rep 37.10(10) ...... 4.00 su-Rat
C6B -MO2B-C9B -C10B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -38.0(3), Rep -38.02(8) ...... 3.75 su-Rat
C8B -MO2B-C10B-C9B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -79.6(4), Rep -79.60(10) ...... 4.00 su-Rat
C7B -MO2B-C10B-C9B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 78.3(4), Rep 78.20(10) ...... 4.00 su-Rat
C8B -MO2B-C10B-C6B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 36.7(4), Rep 36.70(10) ...... 4.00 su-Rat
C7B -MO2B-C10B-C6B 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -79.7(4), Rep -79.70(10) ...... 4.00 su-Rat
C3C -MO1C-C1C -C5C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -37.3(3), Rep -37.30(10) ...... 3.00 su-Rat
C4C -MO1C-C1C -C5C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 37.7(3), Rep 37.70(10) ...... 3.00 su-Rat
C3C -MO1C-C1C -C2C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 80.1(4), Rep 80.10(10) ...... 4.00 su-Rat
C4C -MO1C-C1C -C2C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 62.5(5), Rep 62.5(2) ...... 2.50 su-Rat
C5C -C1C -C2C -MO1C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 38.2(3), Rep 38.12(8) ...... 3.75 su-Rat
C4C -MO1C-C2C -C3C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 79.8(4), Rep 79.80(10) ...... 4.00 su-Rat
C5C -MO1C-C2C -C3C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -78.3(4), Rep -78.30(10) ...... 4.00 su-Rat
C4C -MO1C-C2C -C1C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -36.6(4), Rep -36.60(10) ...... 4.00 su-Rat
C5C -MO1C-C2C -C1C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 37.4(3), Rep 37.50(10) ...... 3.00 su-Rat
C5C -MO1C-C3C -C4C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 78.5(4), Rep 78.50(10) ...... 4.00 su-Rat
C1C -MO1C-C3C -C4C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -78.0(4), Rep -78.00(10) ...... 4.00 su-Rat
C5C -MO1C-C3C -C2C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -37.0(3), Rep -37.00(10) ...... 3.00 su-Rat
C1C -MO1C-C3C -C2C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 78.0(4), Rep 77.90(10) ...... 4.00 su-Rat
C2C -MO1C-C4C -C5C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 36.8(4), Rep 36.70(10) ...... 4.00 su-Rat
C1C -MO1C-C4C -C5C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -37.9(3), Rep -37.90(10) ...... 3.00 su-Rat
C2C -MO1C-C4C -C3C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -79.1(4), Rep -79.10(10) ...... 4.00 su-Rat
C1C -MO1C-C4C -C3C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -61.9(5), Rep -61.9(2) ...... 2.50 su-Rat
C2C -C1C -C5C -MO1C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -38.1(3), Rep -38.10(10) ...... 3.00 su-Rat
C3C -MO1C-C5C -C4C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -80.1(3), Rep -80.10(10) ...... 3.00 su-Rat
C2C -MO1C-C5C -C4C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 78.8(4), Rep 78.80(10) ...... 4.00 su-Rat
C3C -MO1C-C5C -C1C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 36.8(4), Rep 36.80(10) ...... 4.00 su-Rat
C2C -MO1C-C5C -C1C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -79.5(3), Rep -79.50(10) ...... 3.00 su-Rat
C8C -MO2C-C6C -C10C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -37.3(3), Rep -37.30(10) ...... 3.00 su-Rat
C9C -MO2C-C6C -C10C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 37.7(4), Rep 37.70(10) ...... 4.00 su-Rat
C8C -MO2C-C6C -C7C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 79.9(4), Rep 79.90(10) ...... 4.00 su-Rat
C9C -MO2C-C6C -C7C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 38.0(3), Rep 38.00(10) ...... 3.00 su-Rat
C9C -MO2C-C7C -C8C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 79.6(4), Rep 79.60(10) ...... 4.00 su-Rat
C10C-MO2C-C7C -C8C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -78.4(4), Rep -78.40(10) ...... 4.00 su-Rat
C9C -MO2C-C7C -C6C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -36.8(4), Rep -36.70(10) ...... 4.00 su-Rat
C10C-MO2C-C7C -C6C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 37.4(4), Rep 37.40(10) ...... 4.00 su-Rat
C10C-MO2C-C8C -C9C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 78.6(4), Rep 78.50(10) ...... 4.00 su-Rat
C6C -MO2C-C8C -C9C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -78.2(4), Rep -78.20(10) ...... 4.00 su-Rat
C10C-MO2C-C8C -C7C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -37.1(4), Rep -37.10(10) ...... 4.00 su-Rat
C6C -MO2C-C8C -C7C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -37.8(3), Rep -37.79(8) ...... 3.75 su-Rat
C7C -MO2C-C9C -C8C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -79.1(4), Rep -79.10(10) ...... 4.00 su-Rat
C6C -MO2C-C9C -C8C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 78.1(4), Rep 78.10(10) ...... 4.00 su-Rat
C7C -MO2C-C9C -C10C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 36.8(3), Rep 36.80(10) ...... 3.00 su-Rat
C6C -MO2C-C9C -C10C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 78.9(3), Rep 78.90(10) ...... 3.00 su-Rat
C8C -MO2C-C10C-C6C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 116.8(4), Rep 116.80(10) ...... 4.00 su-Rat
C9C -MO2C-C10C-C6C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc 36.9(3), Rep 36.89(8) ...... 3.75 su-Rat
C7C -MO2C-C10C-C6C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -37.9(4), Rep -37.90(10) ...... 4.00 su-Rat
C8C -MO2C-C10C-C9C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -79.9(4), Rep -79.90(10) ...... 4.00 su-Rat
C7C -MO2C-C10C-C9C 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -116.8(4), Rep -116.80(10) ...... 4.00 su-Rat
C6C -MO2C-C10C-C9C 1.555 1.555 1.555 1.555
0 ALERT level A = In general: serious problem
61 ALERT level B = Potentially serious problem
137 ALERT level C = Check and explain
0 ALERT level G = General alerts; check
190 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
5 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
1 ALERT type 4 Improvement, methodology, query or suggestion
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