Powder diffraction pattern for KCl and TGA compound 11. Crystal Structures Compounds Refinement details :Program used SHELXL-97 (Sheldrick 1997) CifRtf version used 2.0122.6( 7) C(3)-C(4)-S(1) 119.8(6) C(10)-C(9)-C(8) 122.3(7) C(10)-C(9)-Ir(1) 72.2(4) C(8)-C(9)-Ir(1) 110.4(5) C(9)-C(10)-C(11) 123.4(7) C(9)-C(10)-Ir(1) 70.4(4) C(11)-C(10)-Ir(1) 113.8(5) C(12)-C(11)-C(10)113.5( 6) C( 11)-C( 12)-C( 5) 112.6( 6) C( 6)-C(5)-C( 12)124.4( 7) C( 6)-C( 5)-Ir(1) 70.6(4) C( 12)-C(5)-Ir(1) 114.0(5) C( 5)-C( 6)-C( 7) 121.7( 7) C( 5)-C(6)-Ir(1) 69.9(4) C( 7)-C( 6)-Ir( 1) 114.1(5) C(6)-C(7)-C(8) 113.4(6) C(9)-C(8)-C(7) 114.0(6) C(5)-Ir(1)-C(1) 139.1(3) C(5)-Ir(1)-C(6) 39.5(3) C(1)-Ir(1)-C(6) 175.3(3) C(5)-Ir(1)-C(2) 101.4(3) C(1)-Ir(1)-C(2) 38.5(3) C(6)-Ir(1)-C(2) 140.9(3) C(5)-Ir(1)-C(9) 95.9(3) C(1)-Ir(1)-C(9) 95.0(3) C(6)-Ir(1)-C(9) 81.1(3) C(2)-Ir(1)-C(9) 112.7(3) C(5)-Ir(1)-C(10) 78.7(3) C(1)-Ir(1)-C(10) 86.7(3) C(6)-Ir(1)-C(10) 88.6(3) C(2)-Ir(1)-C(10) 83.9(3) C(9)-Ir(1)-C(10) 37.4(3) C(5)-Ir(1)-S(1) 87.0(2) C(1)-Ir(1)-S(1) 93.8(2) C(6)-Ir(1)-S(1) 90.6(2) C(2)-Ir(1)-S(1) 83.1(2) C(9)-Ir(1)-S(1) 162.8(2) C(10)-Ir(1)-S(1) 158.4(2) C(5)-Ir(1)-S(1A) 136.9(2) C(1)-Ir(1)-S(1A) 82.8(2) C(6)-Ir(1)-S(1A) 99.6(2) C(2)-Ir(1)-S(1A) 116.8(2) C(9)-Ir(1)-S(1A) 87.5(2) C(10)-Ir(1)-S(1A) 122.4(2) S(1)-Ir(1)-S(1A) 79.01(6) C(4)-S(1)-Ir(1) 99.8(3) C(4)-S(1)-Ir(1A) 118.2(3) Ir(1)-S(1)-Ir(1A) 100.99(6) ________________________________________________________________ Symmetry operations used for equivalent atoms : ..A : -x, -y, -zTable. Crystal Data and Data Collection Parameters: Compound 5 Chem. formula C 24 H 34 Ir 2 S 2 Form. wght. 771.03 Cryst. size [mm] 0.08 x 0.15 x 0.17 Cryst. system triclinic Space group P-1 a, [Å] 6.9771(2) b, [Å] 7.6804(2) c, [Å] 10.9819(3) α, [°] 108.7530(1) β, [°]
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