      Table 1.  Crystal data and structure refinement for t. 
  
  
      Identification code               20250509sl-12-53-p2-1_auto 
  
      Empirical formula                 C36 H35 Cl Ir N3 O 
  
      Formula weight                    753.32 
  
      Temperature                       99.9(3) K 
  
      Wavelength                        1.54184 A 
  
      Crystal system, space group       Monoclinic,  P 1 21 1 
  
      Unit cell dimensions              a = 8.81780(10) A   alpha = 90 deg. 
                                        b = 16.31940(10) A    beta = 107.6480(10) deg. 
                                        c = 10.78590(10) A   gamma = 90 deg. 
  
      Volume                            1479.06(2) A^3 
  
      Z, Calculated density             2,  1.692 Mg/m^3 
  
      Absorption coefficient            9.834 mm^-1 
  
      F(000)                            748 
  
      Crystal size                      0.18 x 0.16 x 0.15 mm 
  
      Theta range for data collection   4.301 to 75.754 deg. 
  
      Limiting indices                  -10<=h<=10, -19<=k<=18, -13<=l<=13 
  
      Reflections collected / unique    20346 / 5702 [R(int) = 0.0380] 
  
      Completeness to theta = 67.684    99.9 % 
  
      Absorption correction             Semi-empirical from equivalents 
  
      Max. and min. transmission        1.00000 and 0.58050 
  
      Refinement method                 Full-matrix least-squares on F^2 
  
      Data / restraints / parameters    5702 / 1 / 382 
  
      Goodness-of-fit on F^2            1.059 
  
      Final R indices [I>2sigma(I)]     R1 = 0.0209, wR2 = 0.0554 
  
      R indices (all data)              R1 = 0.0209, wR2 = 0.0554 
  
      Absolute structure parameter      -0.026(7) 
  
      Extinction coefficient            0.00138(13) 
  
      Largest diff. peak and hole       0.710 and -0.512 e.A^-3 
  
         Table 2.  Atomic coordinates ( x 10^4) and equivalent isotropic 
         displacement parameters (A^2 x 10^3) for t. 
         U(eq) is defined as one third of the trace of the orthogonalized 
         Uij tensor. 
  
         ________________________________________________________________ 
  
                         x             y             z           U(eq) 
         ________________________________________________________________ 
  
          Ir(1)        5082(1)       3096(1)       1599(1)       12(1) 
          C(1)         4809(6)       2525(3)       -292(5)       19(1) 
          N(1)         3253(4)       3511(2)       3461(4)       12(1) 
          O(1)         6566(5)       6625(2)       5156(4)       24(1) 
          Cl(1)        4619(2)       4400(1)        579(1)       21(1) 
          C(17)        3995(6)       4397(3)       6741(4)       17(1) 
          C(12)        7898(5)       3994(3)       7186(4)       13(1) 
          C(28)        2511(7)       5585(3)       3308(6)       20(1) 
          C(11)        7509(5)       3153(4)       7079(4)       16(1) 
          C(26)        1887(5)       3150(4)       2468(4)       16(1) 
          C(5)         8838(6)       5675(3)       7472(5)       17(1) 
          C(9)         9826(6)       2864(3)       8926(5)       17(1) 
          C(8)        10207(6)       3674(3)       9069(5)       18(1) 
          C(23)        4657(6)       3571(3)       3222(4)       12(1) 
          C(22)        7563(6)       1978(3)        929(5)       24(1) 
          C(18)        2690(6)       4132(3)       7081(5)       18(1) 
          C(25)        7406(6)       4043(3)       3931(5)       22(1) 
          C(24)        4734(6)       1864(3)       2094(5)       19(1) 
          C(3)         6467(6)       5892(3)       5376(5)       16(1) 
          N(3)         5346(5)       5356(2)       4646(4)       15(1) 
          N(2)         5848(4)       3963(2)       4139(4)       13(1) 
          C(2)         4012(7)       1702(3)       -367(6)       25(1) 
          C(29)        1401(7)       5338(3)       2143(6)       24(1) 
          C(35)        6416(6)       2666(3)        315(5)       21(1) 
          C(34)        6307(6)       2131(3)       2750(5)       18(1) 
          C(4)         7517(7)       5406(3)       6454(6)       16(1) 
          C(10)        8458(6)       2595(3)       7942(5)       20(1) 
          C(6)         9688(6)       5113(4)       8324(5)       19(1) 
          C(13)        7059(5)       4604(3)       6311(4)       14(1) 
          C(32)         377(7)       5985(4)       4141(6)       32(1) 
          C(7)         9270(5)       4266(3)       8213(5)       15(1) 
          C(31)        -730(7)       5755(4)       2969(7)       36(2) 
          C(33)        1976(6)       5893(3)       4304(5)       22(1) 
          C(16)        4174(5)       4198(3)       5534(4)       12(1) 
          C(15)        4358(7)       1274(3)        952(5)       25(1) 
          C(21)        3022(5)       3721(3)       4664(4)       14(1) 
          C(19)        1544(6)       3645(3)       6208(5)       21(1) 
          C(30)        -229(7)       5427(4)       1986(6)       34(1) 
          C(36)        7782(6)       1872(4)       2383(5)       25(1) 
          C(27)        4256(6)       5581(3)       3391(5)       18(1) 
          C(14)        5585(5)       4501(3)       5143(4)       14(1) 
          C(20)        1710(6)       3445(3)       5014(5)       19(1) 
         ________________________________________________________________ 
  
           Table 3.  Bond lengths [A] and angles [deg] for t. 
           _____________________________________________________________ 
  
            Ir(1)-C(1)                    2.188(5) 
            Ir(1)-Cl(1)                   2.3738(11) 
            Ir(1)-C(23)                   2.049(4) 
            Ir(1)-C(24)                   2.126(5) 
            Ir(1)-C(35)                   2.187(5) 
            Ir(1)-C(34)                   2.091(5) 
            C(1)-H(1)                     1.0000 
            C(1)-C(2)                     1.507(7) 
            C(1)-C(35)                    1.388(8) 
            N(1)-C(26)                    1.470(5) 
            N(1)-C(23)                    1.343(6) 
            N(1)-C(21)                    1.416(6) 
            O(1)-C(3)                     1.227(6) 
            C(17)-H(17)                   0.9500 
            C(17)-C(18)                   1.379(7) 
            C(17)-C(16)                   1.397(6) 
            C(12)-C(11)                   1.412(8) 
            C(12)-C(13)                   1.415(7) 
            C(12)-C(7)                    1.441(6) 
            C(28)-C(29)                   1.397(8) 
            C(28)-C(33)                   1.392(8) 
            C(28)-C(27)                   1.514(8) 
            C(11)-H(11)                   0.9500 
            C(11)-C(10)                   1.387(7) 
            C(26)-H(26A)                  0.9800 
            C(26)-H(26B)                  0.9800 
            C(26)-H(26C)                  0.9800 
            C(5)-H(5)                     0.9500 
            C(5)-C(4)                     1.407(8) 
            C(5)-C(6)                     1.352(8) 
            C(9)-H(9)                     0.9500 
            C(9)-C(8)                     1.361(8) 
            C(9)-C(10)                    1.413(7) 
            C(8)-H(8)                     0.9500 
            C(8)-C(7)                     1.417(7) 
            C(23)-N(2)                    1.365(6) 
            C(22)-H(22A)                  0.9900 
            C(22)-H(22B)                  0.9900 
            C(22)-C(35)                   1.521(7) 
            C(22)-C(36)                   1.531(7) 
            C(18)-H(18)                   0.9500 
            C(18)-C(19)                   1.400(7) 
            C(25)-H(25A)                  0.9800 
            C(25)-H(25B)                  0.9800 
            C(25)-H(25C)                  0.9800 
            C(25)-N(2)                    1.463(6) 
            C(24)-H(24)                   1.0000 
            C(24)-C(34)                   1.421(7) 
            C(24)-C(15)                   1.519(7) 
            C(3)-N(3)                     1.375(6) 
            C(3)-C(4)                     1.478(7) 
            N(3)-C(27)                    1.449(6) 
            N(3)-C(14)                    1.487(6) 
            N(2)-C(14)                    1.466(6) 
            C(2)-H(2A)                    0.9900 
            C(2)-H(2B)                    0.9900 
            C(2)-C(15)                    1.530(8) 
            C(29)-H(29)                   0.9500 
            C(29)-C(30)                   1.403(9) 
            C(35)-H(35)                   1.0000 
            C(34)-H(34)                   1.0000 
            C(34)-C(36)                   1.529(7) 
            C(4)-C(13)                    1.365(7) 
            C(10)-H(10)                   0.9500 
            C(6)-H(6)                     0.9500 
            C(6)-C(7)                     1.426(8) 
            C(13)-C(14)                   1.521(6) 
            C(32)-H(32)                   0.9500 
            C(32)-C(31)                   1.394(10) 
            C(32)-C(33)                   1.375(8) 
            C(31)-H(31)                   0.9500 
            C(31)-C(30)                   1.376(11) 
            C(33)-H(33)                   0.9500 
            C(16)-C(21)                   1.393(6) 
            C(16)-C(14)                   1.512(6) 
            C(15)-H(15A)                  0.9900 
            C(15)-H(15B)                  0.9900 
            C(21)-C(20)                   1.396(7) 
            C(19)-H(19)                   0.9500 
            C(19)-C(20)                   1.379(7) 
            C(30)-H(30)                   0.9500 
            C(36)-H(36A)                  0.9900 
            C(36)-H(36B)                  0.9900 
            C(27)-H(27A)                  0.9900 
            C(27)-H(27B)                  0.9900 
            C(20)-H(20)                   0.9500 
  
            C(1)-Ir(1)-Cl(1)             89.69(14) 
            C(23)-Ir(1)-C(1)            163.7(2) 
            C(23)-Ir(1)-Cl(1)            90.37(13) 
            C(23)-Ir(1)-C(24)            93.77(18) 
            C(23)-Ir(1)-C(35)           159.2(2) 
            C(23)-Ir(1)-C(34)            88.48(19) 
            C(24)-Ir(1)-C(1)             81.27(19) 
            C(24)-Ir(1)-Cl(1)           161.20(15) 
            C(24)-Ir(1)-C(35)            90.12(19) 
            C(35)-Ir(1)-C(1)             37.0(2) 
            C(35)-Ir(1)-Cl(1)            92.51(14) 
            C(34)-Ir(1)-C(1)             97.10(19) 
            C(34)-Ir(1)-Cl(1)           159.30(15) 
            C(34)-Ir(1)-C(24)            39.4(2) 
            C(34)-Ir(1)-C(35)            81.61(19) 
            Ir(1)-C(1)-H(1)             114.2 
            C(2)-C(1)-Ir(1)             110.3(3) 
            C(2)-C(1)-H(1)              114.2 
            C(35)-C(1)-Ir(1)             71.5(3) 
            C(35)-C(1)-H(1)             114.2 
            C(35)-C(1)-C(2)             124.5(5) 
            C(23)-N(1)-C(26)            119.3(4) 
            C(23)-N(1)-C(21)            123.8(4) 
            C(21)-N(1)-C(26)            116.8(4) 
            C(18)-C(17)-H(17)           119.5 
            C(18)-C(17)-C(16)           120.9(4) 
            C(16)-C(17)-H(17)           119.5 
            C(11)-C(12)-C(13)           124.3(4) 
            C(11)-C(12)-C(7)            119.3(4) 
            C(13)-C(12)-C(7)            116.3(4) 
            C(29)-C(28)-C(27)           118.3(6) 
            C(33)-C(28)-C(29)           119.3(6) 
            C(33)-C(28)-C(27)           122.1(5) 
            C(12)-C(11)-H(11)           120.0 
            C(10)-C(11)-C(12)           120.1(4) 
            C(10)-C(11)-H(11)           120.0 
            N(1)-C(26)-H(26A)           109.5 
            N(1)-C(26)-H(26B)           109.5 
            N(1)-C(26)-H(26C)           109.5 
            H(26A)-C(26)-H(26B)         109.5 
            H(26A)-C(26)-H(26C)         109.5 
            H(26B)-C(26)-H(26C)         109.5 
            C(4)-C(5)-H(5)              120.8 
            C(6)-C(5)-H(5)              120.8 
            C(6)-C(5)-C(4)              118.5(5) 
            C(8)-C(9)-H(9)              119.6 
            C(8)-C(9)-C(10)             120.8(5) 
            C(10)-C(9)-H(9)             119.6 
            C(9)-C(8)-H(8)              119.5 
            C(9)-C(8)-C(7)              120.9(4) 
            C(7)-C(8)-H(8)              119.5 
            N(1)-C(23)-Ir(1)            123.7(3) 
            N(1)-C(23)-N(2)             116.5(4) 
            N(2)-C(23)-Ir(1)            119.8(3) 
            H(22A)-C(22)-H(22B)         107.8 
            C(35)-C(22)-H(22A)          109.0 
            C(35)-C(22)-H(22B)          109.0 
            C(35)-C(22)-C(36)           113.0(4) 
            C(36)-C(22)-H(22A)          109.0 
            C(36)-C(22)-H(22B)          109.0 
            C(17)-C(18)-H(18)           120.3 
            C(17)-C(18)-C(19)           119.3(4) 
            C(19)-C(18)-H(18)           120.3 
            H(25A)-C(25)-H(25B)         109.5 
            H(25A)-C(25)-H(25C)         109.5 
            H(25B)-C(25)-H(25C)         109.5 
            N(2)-C(25)-H(25A)           109.5 
            N(2)-C(25)-H(25B)           109.5 
            N(2)-C(25)-H(25C)           109.5 
            Ir(1)-C(24)-H(24)           114.4 
            C(34)-C(24)-Ir(1)            69.0(3) 
            C(34)-C(24)-H(24)           114.4 
            C(34)-C(24)-C(15)           122.6(4) 
            C(15)-C(24)-Ir(1)           114.1(3) 
            C(15)-C(24)-H(24)           114.4 
            O(1)-C(3)-N(3)              126.1(5) 
            O(1)-C(3)-C(4)              127.6(5) 
            N(3)-C(3)-C(4)              106.2(4) 
            C(3)-N(3)-C(27)             122.2(4) 
            C(3)-N(3)-C(14)             113.0(4) 
            C(27)-N(3)-C(14)            123.8(4) 
            C(23)-N(2)-C(25)            118.9(4) 
            C(23)-N(2)-C(14)            123.9(4) 
            C(25)-N(2)-C(14)            115.2(4) 
            C(1)-C(2)-H(2A)             108.9 
            C(1)-C(2)-H(2B)             108.9 
            C(1)-C(2)-C(15)             113.5(4) 
            H(2A)-C(2)-H(2B)            107.7 
            C(15)-C(2)-H(2A)            108.9 
            C(15)-C(2)-H(2B)            108.9 
            C(28)-C(29)-H(29)           120.3 
            C(28)-C(29)-C(30)           119.4(6) 
            C(30)-C(29)-H(29)           120.3 
            Ir(1)-C(35)-H(35)           114.6 
            C(1)-C(35)-Ir(1)             71.5(3) 
            C(1)-C(35)-C(22)            122.1(5) 
            C(1)-C(35)-H(35)            114.6 
            C(22)-C(35)-Ir(1)           112.0(3) 
            C(22)-C(35)-H(35)           114.6 
            Ir(1)-C(34)-H(34)           113.7 
            C(24)-C(34)-Ir(1)            71.6(3) 
            C(24)-C(34)-H(34)           113.7 
            C(24)-C(34)-C(36)           124.4(4) 
            C(36)-C(34)-Ir(1)           112.4(3) 
            C(36)-C(34)-H(34)           113.7 
            C(5)-C(4)-C(3)              128.3(5) 
            C(13)-C(4)-C(5)             122.3(5) 
            C(13)-C(4)-C(3)             109.4(5) 
            C(11)-C(10)-C(9)            120.3(5) 
            C(11)-C(10)-H(10)           119.8 
            C(9)-C(10)-H(10)            119.8 
            C(5)-C(6)-H(6)              119.2 
            C(5)-C(6)-C(7)              121.6(5) 
            C(7)-C(6)-H(6)              119.2 
            C(12)-C(13)-C(14)           128.1(4) 
            C(4)-C(13)-C(12)            121.4(4) 
            C(4)-C(13)-C(14)            110.4(4) 
            C(31)-C(32)-H(32)           120.1 
            C(33)-C(32)-H(32)           120.1 
            C(33)-C(32)-C(31)           119.7(6) 
            C(8)-C(7)-C(12)             118.6(4) 
            C(8)-C(7)-C(6)              121.5(5) 
            C(6)-C(7)-C(12)             119.9(4) 
            C(32)-C(31)-H(31)           119.9 
            C(30)-C(31)-C(32)           120.2(6) 
            C(30)-C(31)-H(31)           119.9 
            C(28)-C(33)-H(33)           119.5 
            C(32)-C(33)-C(28)           121.0(6) 
            C(32)-C(33)-H(33)           119.5 
            C(17)-C(16)-C(14)           121.3(4) 
            C(21)-C(16)-C(17)           119.5(4) 
            C(21)-C(16)-C(14)           119.2(4) 
            C(24)-C(15)-C(2)            113.4(4) 
            C(24)-C(15)-H(15A)          108.9 
            C(24)-C(15)-H(15B)          108.9 
            C(2)-C(15)-H(15A)           108.9 
            C(2)-C(15)-H(15B)           108.9 
            H(15A)-C(15)-H(15B)         107.7 
            C(16)-C(21)-N(1)            118.3(4) 
            C(16)-C(21)-C(20)           119.6(4) 
            C(20)-C(21)-N(1)            122.1(4) 
            C(18)-C(19)-H(19)           119.9 
            C(20)-C(19)-C(18)           120.2(4) 
            C(20)-C(19)-H(19)           119.9 
            C(29)-C(30)-H(30)           119.9 
            C(31)-C(30)-C(29)           120.3(6) 
            C(31)-C(30)-H(30)           119.9 
            C(22)-C(36)-H(36A)          109.1 
            C(22)-C(36)-H(36B)          109.1 
            C(34)-C(36)-C(22)           112.4(4) 
            C(34)-C(36)-H(36A)          109.1 
            C(34)-C(36)-H(36B)          109.1 
            H(36A)-C(36)-H(36B)         107.9 
            C(28)-C(27)-H(27A)          108.4 
            C(28)-C(27)-H(27B)          108.4 
            N(3)-C(27)-C(28)            115.6(4) 
            N(3)-C(27)-H(27A)           108.4 
            N(3)-C(27)-H(27B)           108.4 
            H(27A)-C(27)-H(27B)         107.5 
            N(3)-C(14)-C(13)            100.8(3) 
            N(3)-C(14)-C(16)            111.7(4) 
            N(2)-C(14)-N(3)             109.4(4) 
            N(2)-C(14)-C(13)            113.0(4) 
            N(2)-C(14)-C(16)            109.8(4) 
            C(16)-C(14)-C(13)           112.0(4) 
            C(21)-C(20)-H(20)           119.8 
            C(19)-C(20)-C(21)           120.5(4) 
            C(19)-C(20)-H(20)           119.8 
           _____________________________________________________________ 
  
           Symmetry transformations used to generate equivalent atoms: 
            
  
    Table 4.  Anisotropic displacement parameters (A^2 x 10^3) for t. 
    The anisotropic displacement factor exponent takes the form: 
    -2 pi^2 [ h^2 a*^2 U11 + ... + 2 h k a* b* U12 ] 
  
    _______________________________________________________________________ 
  
              U11        U22        U33        U23        U13        U12 
    _______________________________________________________________________ 
  
    Ir(1)    15(1)      11(1)      10(1)       0(1)       5(1)       0(1) 
    C(1)     29(3)      22(2)       8(2)      -4(2)       7(2)       4(2) 
    N(1)     11(2)      13(2)      10(2)      -2(1)       1(1)       0(1) 
    O(1)     34(2)      13(2)      24(2)       0(1)       8(2)      -4(1) 
    Cl(1)    34(1)      14(1)      14(1)       3(1)       7(1)       1(1) 
    C(17)    20(2)      19(2)      12(2)      -2(2)       2(2)       2(2) 
    C(12)    15(2)      15(2)      12(2)       1(2)       7(2)       1(2) 
    C(28)    23(3)      11(2)      20(3)       3(2)       1(2)       1(2) 
    C(11)    16(2)      15(2)      14(2)      -5(2)       3(1)      -1(2) 
    C(26)    12(2)      19(2)      13(2)      -5(2)      -1(1)      -4(2) 
    C(5)     21(3)      13(2)      21(3)      -5(2)      10(2)      -6(2) 
    C(9)     17(2)      18(3)      14(2)       2(2)       3(2)       5(2) 
    C(8)     17(2)      23(3)      13(2)      -4(2)       5(2)      -1(2) 
    C(23)    19(2)       7(2)      10(2)       2(2)       2(2)       2(2) 
    C(22)    21(2)      30(3)      24(3)       0(2)      11(2)       6(2) 
    C(18)    19(2)      24(3)      10(2)      -4(2)       5(2)       3(2) 
    C(25)    15(2)      29(3)      24(3)      -7(2)      11(2)      -6(2) 
    C(24)    29(3)      12(2)      22(3)       2(2)      16(2)       2(2) 
    C(3)     20(2)      17(2)      14(2)      -2(2)       7(2)      -4(2) 
    N(3)     19(2)      10(2)      13(2)       0(1)       2(2)       0(1) 
    N(2)     11(2)      14(2)      13(2)      -2(1)       4(2)      -5(1) 
    C(2)     26(3)      23(3)      26(3)      -8(2)       6(2)      -2(2) 
    C(29)    29(3)      17(3)      21(3)      -1(2)      -1(2)       0(2) 
    C(35)    26(3)      23(3)      17(2)       1(2)      14(2)       1(2) 
    C(34)    26(2)      17(2)      12(2)       4(2)       7(2)       9(2) 
    C(4)     18(2)      11(3)      20(3)       2(2)       8(2)       0(2) 
    C(10)    23(2)      17(3)      20(3)       1(2)       7(2)       2(2) 
    C(6)     15(2)      22(3)      20(3)      -6(2)       6(2)      -5(2) 
    C(13)    12(2)      17(2)      14(2)      -5(2)       6(2)      -2(2) 
    C(32)    33(3)      30(3)      34(3)      11(2)      12(3)       8(2) 
    C(7)     12(2)      17(2)      16(2)      -2(2)       5(2)      -1(2) 
    C(31)    21(3)      43(4)      40(4)      24(3)       2(3)       5(2) 
    C(33)    28(3)      18(2)      19(2)       2(2)       4(2)       2(2) 
    C(16)    12(2)      11(2)      14(2)       1(2)       5(2)       3(2) 
    C(15)    32(3)      16(3)      28(3)      -6(2)      12(2)      -4(2) 
    C(21)    16(2)      10(2)      14(2)       2(2)       3(2)       2(2) 
    C(19)    14(2)      27(3)      21(2)       1(2)       6(2)      -2(2) 
    C(30)    31(3)      28(3)      30(3)       7(2)     -12(3)      -4(2) 
    C(36)    22(3)      27(3)      26(3)       2(2)       9(2)       6(2) 
    C(27)    24(3)      15(2)      11(2)       1(2)       3(2)       2(2) 
    C(14)    13(2)      13(2)      15(2)      -1(2)       3(2)      -1(2) 
    C(20)    14(2)      23(2)      19(2)      -6(2)       4(2)      -4(2) 
    _______________________________________________________________________ 
  
         Table 5.  Hydrogen coordinates ( x 10^4) and isotropic 
         displacement parameters (A^2 x 10^3) for t. 
  
         ________________________________________________________________ 
  
                         x             y             z           U(eq) 
         ________________________________________________________________ 
  
          H(1)         4323          2891         -1053          23 
          H(17)        4783          4720          7337          21 
          H(11)        6597          2968          6414          19 
          H(26A)       2152          3081          1655          24 
          H(26B)        965          3515          2318          24 
          H(26C)       1634          2616          2769          24 
          H(5)         9125          6237          7559          21 
          H(9)        10487          2475          9495          20 
          H(8)        11113          3844          9752          21 
          H(22A)       8610          2094           806          28 
          H(22B)       7161          1459           474          28 
          H(18)        2570          4277          7898          22 
          H(25A)       8200          3739          4609          33 
          H(25B)       7707          4622          3971          33 
          H(25C)       7354          3820          3076          33 
          H(24)        4038          1802          2667          23 
          H(2A)        4371          1345          -964          30 
          H(2B)        2847          1776          -740          30 
          H(29)        1748          5111          1464          29 
          H(35)        6888          3112           -87          25 
          H(34)        6513          2219          3704          22 
          H(10)        8187          2030          7872          24 
          H(6)        10586          5287          9013          23 
          H(32)          28          6204          4824          38 
          H(31)       -1835          5826          2849          43 
          H(33)        2727          6043          5108          27 
          H(15A)       3422           939           956          29 
          H(15B)       5270           897          1065          29 
          H(19)         650          3453          6439          25 
          H(30)        -990          5259          1197          41 
          H(36A)       8022          1290          2624          30 
          H(36B)       8703          2204          2887          30 
          H(27A)       4406          5195          2730          21 
          H(27B)       4545          6134          3162          21 
          H(20)         925          3117          4425          23 
         ________________________________________________________________ 
  
         Table 6.  Torsion angles [deg] for t. 
         ________________________________________________________________ 
  
          Ir(1)-C(1)-C(2)-C(15)                               -30.0(5) 
          Ir(1)-C(1)-C(35)-C(22)                              104.9(4) 
          Ir(1)-C(23)-N(2)-C(25)                                0.6(6) 
          Ir(1)-C(23)-N(2)-C(14)                              163.6(3) 
          Ir(1)-C(24)-C(34)-C(36)                            -105.0(5) 
          Ir(1)-C(24)-C(15)-C(2)                              -10.2(6) 
          Ir(1)-C(34)-C(36)-C(22)                             -32.6(6) 
          C(1)-C(2)-C(15)-C(24)                                26.8(6) 
          N(1)-C(23)-N(2)-C(25)                               179.7(4) 
          N(1)-C(23)-N(2)-C(14)                               -17.3(6) 
          N(1)-C(21)-C(20)-C(19)                              178.4(4) 
          O(1)-C(3)-N(3)-C(27)                                  9.2(8) 
          O(1)-C(3)-N(3)-C(14)                                177.9(5) 
          O(1)-C(3)-C(4)-C(5)                                   1.1(9) 
          O(1)-C(3)-C(4)-C(13)                               -176.6(5) 
          C(17)-C(18)-C(19)-C(20)                              -1.0(8) 
          C(17)-C(16)-C(21)-N(1)                             -178.4(4) 
          C(17)-C(16)-C(21)-C(20)                              -0.3(7) 
          C(17)-C(16)-C(14)-N(3)                              -81.6(5) 
          C(17)-C(16)-C(14)-N(2)                              157.0(4) 
          C(17)-C(16)-C(14)-C(13)                              30.6(6) 
          C(12)-C(11)-C(10)-C(9)                               -0.6(7) 
          C(12)-C(13)-C(14)-N(3)                             -178.9(4) 
          C(12)-C(13)-C(14)-N(2)                              -62.3(6) 
          C(12)-C(13)-C(14)-C(16)                              62.3(6) 
          C(28)-C(29)-C(30)-C(31)                               0.1(9) 
          C(11)-C(12)-C(13)-C(4)                             -178.6(5) 
          C(11)-C(12)-C(13)-C(14)                               2.4(7) 
          C(11)-C(12)-C(7)-C(8)                                 1.3(6) 
          C(11)-C(12)-C(7)-C(6)                               179.3(4) 
          C(26)-N(1)-C(23)-Ir(1)                               -5.5(6) 
          C(26)-N(1)-C(23)-N(2)                               175.4(4) 
          C(26)-N(1)-C(21)-C(16)                             -168.3(4) 
          C(26)-N(1)-C(21)-C(20)                               13.7(7) 
          C(5)-C(4)-C(13)-C(12)                                -0.1(8) 
          C(5)-C(4)-C(13)-C(14)                               179.1(5) 
          C(5)-C(6)-C(7)-C(12)                                 -1.0(7) 
          C(5)-C(6)-C(7)-C(8)                                 176.9(5) 
          C(9)-C(8)-C(7)-C(12)                                  0.2(7) 
          C(9)-C(8)-C(7)-C(6)                                -177.8(5) 
          C(8)-C(9)-C(10)-C(11)                                 2.1(7) 
          C(23)-N(1)-C(21)-C(16)                               16.4(6) 
          C(23)-N(1)-C(21)-C(20)                             -161.6(5) 
          C(23)-N(2)-C(14)-N(3)                               -90.1(5) 
          C(23)-N(2)-C(14)-C(13)                              158.5(4) 
          C(23)-N(2)-C(14)-C(16)                               32.7(6) 
          C(18)-C(17)-C(16)-C(21)                              -0.4(7) 
          C(18)-C(17)-C(16)-C(14)                             178.8(4) 
          C(18)-C(19)-C(20)-C(21)                               0.3(8) 
          C(25)-N(2)-C(14)-N(3)                                73.5(5) 
          C(25)-N(2)-C(14)-C(13)                              -38.0(5) 
          C(25)-N(2)-C(14)-C(16)                             -163.7(4) 
          C(24)-C(34)-C(36)-C(22)                              49.9(7) 
          C(3)-N(3)-C(27)-C(28)                              -116.7(5) 
          C(3)-N(3)-C(14)-N(2)                               -119.5(4) 
          C(3)-N(3)-C(14)-C(13)                                -0.2(5) 
          C(3)-N(3)-C(14)-C(16)                               118.9(4) 
          C(3)-C(4)-C(13)-C(12)                               177.8(4) 
          C(3)-C(4)-C(13)-C(14)                                -3.1(6) 
          N(3)-C(3)-C(4)-C(5)                                -179.4(5) 
          N(3)-C(3)-C(4)-C(13)                                  2.9(6) 
          C(2)-C(1)-C(35)-Ir(1)                              -102.3(5) 
          C(2)-C(1)-C(35)-C(22)                                 2.6(8) 
          C(29)-C(28)-C(33)-C(32)                              -2.3(8) 
          C(29)-C(28)-C(27)-N(3)                             -144.6(5) 
          C(35)-C(1)-C(2)-C(15)                                51.0(7) 
          C(35)-C(22)-C(36)-C(34)                              29.0(6) 
          C(34)-C(24)-C(15)-C(2)                              -89.9(6) 
          C(4)-C(5)-C(6)-C(7)                                  -0.3(8) 
          C(4)-C(3)-N(3)-C(27)                               -170.3(4) 
          C(4)-C(3)-N(3)-C(14)                                 -1.5(5) 
          C(4)-C(13)-C(14)-N(3)                                 2.0(5) 
          C(4)-C(13)-C(14)-N(2)                               118.6(5) 
          C(4)-C(13)-C(14)-C(16)                             -116.8(5) 
          C(10)-C(9)-C(8)-C(7)                                 -1.8(8) 
          C(6)-C(5)-C(4)-C(3)                                -176.6(5) 
          C(6)-C(5)-C(4)-C(13)                                  0.9(8) 
          C(13)-C(12)-C(11)-C(10)                             176.3(4) 
          C(13)-C(12)-C(7)-C(8)                              -176.3(4) 
          C(13)-C(12)-C(7)-C(6)                                 1.7(6) 
          C(32)-C(31)-C(30)-C(29)                              -1.5(9) 
          C(7)-C(12)-C(11)-C(10)                               -1.1(7) 
          C(7)-C(12)-C(13)-C(4)                                -1.1(7) 
          C(7)-C(12)-C(13)-C(14)                              179.8(4) 
          C(31)-C(32)-C(33)-C(28)                               0.9(8) 
          C(33)-C(28)-C(29)-C(30)                               1.8(8) 
          C(33)-C(28)-C(27)-N(3)                               41.3(7) 
          C(33)-C(32)-C(31)-C(30)                               1.0(9) 
          C(16)-C(17)-C(18)-C(19)                               1.0(7) 
          C(16)-C(21)-C(20)-C(19)                               0.4(7) 
          C(15)-C(24)-C(34)-Ir(1)                             105.9(5) 
          C(15)-C(24)-C(34)-C(36)                               0.9(8) 
          C(21)-N(1)-C(23)-Ir(1)                              169.7(3) 
          C(21)-N(1)-C(23)-N(2)                                -9.4(6) 
          C(21)-C(16)-C(14)-N(3)                               97.6(5) 
          C(21)-C(16)-C(14)-N(2)                              -23.9(6) 
          C(21)-C(16)-C(14)-C(13)                            -150.2(4) 
          C(36)-C(22)-C(35)-Ir(1)                             -12.3(6) 
          C(36)-C(22)-C(35)-C(1)                              -93.7(6) 
          C(27)-C(28)-C(29)-C(30)                            -172.5(5) 
          C(27)-C(28)-C(33)-C(32)                             171.8(5) 
          C(27)-N(3)-C(14)-N(2)                                49.1(5) 
          C(27)-N(3)-C(14)-C(13)                              168.4(4) 
          C(27)-N(3)-C(14)-C(16)                              -72.6(5) 
          C(14)-N(3)-C(27)-C(28)                               75.8(6) 
          C(14)-C(16)-C(21)-N(1)                                2.5(6) 
          C(14)-C(16)-C(21)-C(20)                            -179.5(4) 
         ________________________________________________________________ 
  
         Symmetry transformations used to generate equivalent atoms: 
          
  
 Table 7.  Hydrogen bonds for t [A and deg.]. 
 ____________________________________________________________________________ 
  
 D-H...A                      d(D-H)      d(H...A)    d(D...A)    <(DHA) 
  
