      Table 1.  Crystal data and structure refinement for cd_110624_1a_w_0ma_a.


      Identification code               shelx

      Empirical formula                 C24 H72 Cl8 N8 O12 Si8

      Formula weight                    1173.21

      Temperature                       100(2) K

      Wavelength                        0.71073 A

      Crystal system, space group       Tetragonal,  I 4/m

      Unit cell dimensions              a = 6.0732(8) A   alpha = 90 deg.
                                        b = 6.0732(8) A    beta = 90 deg.
                                        c = 28.873(4) A   gamma = 90 deg.

      Volume                            1064.9(3) A^3

      Z, Calculated density             1,  1.829 Mg/m^3

      Absorption coefficient            0.824 mm^-1

      F(000)                            616

      Crystal size                      0.150 x 0.100 x 0.010 mm

      Theta range for data collection   4.235 to 25.139 deg.

      Limiting indices                  -7<=h<=7, -7<=k<=7, -34<=l<=34

      Reflections collected / unique    3652 / 488 [R(int) = 0.0771]

      Completeness to theta = 25.139    97.4 %

      Refinement method                 Full-matrix least-squares on F^2

      Data / restraints / parameters    488 / 44 / 61

      Goodness-of-fit on F^2            1.193

      Final R indices [I>2sigma(I)]     R1 = 0.1018, wR2 = 0.2702

      R indices (all data)              R1 = 0.1214, wR2 = 0.2903

      Extinction coefficient            n/a

      Largest diff. peak and hole       1.313 and -0.705 e.A^-3
 
         Table 2.  Atomic coordinates ( x 10^4) and equivalent isotropic
         displacement parameters (A^2 x 10^3) for cd_110624_1a_w_0ma_a.
         U(eq) is defined as one third of the trace of the orthogonalized
         Uij tensor.

         ________________________________________________________________

                         x             y             z           U(eq)
         ________________________________________________________________

          C(1)          890(50)       500(60)       924(5)       47(4)
          C(2)         1210(50)      1030(50)      1435(5)       48(4)
          C(3)          -30(80)      -690(40)      1715(7)       53(5)
          N(1)          270(50)         0(300)     2211(3)       40(1)
          O(1)         1980(20)      5140(30)       630(4)       43(3)
          O(2)         2060(50)      1760(50)         0          50(5)
          Si(1)        2547(9)       2270(11)       539(2)       40(1)
          Cl(1)       -5000             0          2561(8)       56(4)
         ________________________________________________________________
 
           Table 3.  Bond lengths [A] and angles [deg] for cd_110624_1a_w_0ma_a.
           _____________________________________________________________

            C(1)-C(2)                     1.521(5)
            C(1)-Si(1)                    1.847(18)
            C(1)-H(1A)                    0.9900
            C(1)-H(1B)                    0.9900
            C(2)-C(3)                     1.522(5)
            C(2)-H(2A)                    0.9900
            C(2)-H(2B)                    0.9900
            C(3)-N(1)                     1.51(5)
            C(3)-H(3A)                    0.9900
            C(3)-H(3B)                    0.9900
            N(1)-H(1C)                    0.9100
            N(1)-H(1D)                    0.9100
            N(1)-H(1E)                    0.9100
            O(1)-Si(1)#1                  1.44(2)
            O(1)-Si(1)                    1.80(2)
            O(2)-Si(1)#2                  1.613(8)
            O(2)-Si(1)                    1.613(8)

            C(2)-C(1)-Si(1)             113.0(12)
            C(2)-C(1)-H(1A)             108.2
            Si(1)-C(1)-H(1A)            110.3
            C(2)-C(1)-H(1B)             108.5
            Si(1)-C(1)-H(1B)            108.9
            H(1A)-C(1)-H(1B)            107.8
            C(1)-C(2)-C(3)              107.8(14)
            C(1)-C(2)-H(2A)             110.1
            C(3)-C(2)-H(2A)             110.1
            C(1)-C(2)-H(2B)             110.1
            C(3)-C(2)-H(2B)             110.1
            H(2A)-C(2)-H(2B)            108.5
            N(1)-C(3)-C(2)              104(6)
            N(1)-C(3)-H(3A)             110.9
            C(2)-C(3)-H(3A)             110.9
            N(1)-C(3)-H(3B)             110.9
            C(2)-C(3)-H(3B)             110.9
            H(3A)-C(3)-H(3B)            108.9
            C(3)-N(1)-H(1C)             109.5
            C(3)-N(1)-H(1D)             109.5
            H(1C)-N(1)-H(1D)            109.5
            C(3)-N(1)-H(1E)             109.5
            H(1C)-N(1)-H(1E)            109.5
            H(1D)-N(1)-H(1E)            109.5
            Si(1)#1-O(1)-Si(1)          153.6(9)
            Si(1)#2-O(2)-Si(1)          149.2(16)
            O(1)#3-Si(1)-O(2)           109.4(12)
            O(1)#3-Si(1)-O(1)           106.3(11)
            O(2)-Si(1)-O(1)             106.9(12)
            O(1)#3-Si(1)-C(1)           110.4(13)
            O(2)-Si(1)-C(1)             111.7(10)
            O(1)-Si(1)-C(1)             111.9(13)
           _____________________________________________________________

           Symmetry transformations used to generate equivalent atoms:
           #1 y,-x+1,z    #2 x,y,-z    #3 -y+1,x,z
 
    Table 4.  Anisotropic displacement parameters (A^2 x 10^3) for cd_110624_1a_w_0ma_a.
    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
    _______________________________________________________________________

    C(1)     40(8)      55(9)      47(6)       2(7)       6(7)     -16(6)
    C(2)     41(8)      54(9)      48(7)       3(8)       4(8)     -17(7)
    C(3)     45(9)      56(10)     58(7)       7(7)       1(12)     -7(10)
    N(1)     35(5)      50(5)      34(2)      -1(3)       3(2)      -4(2)
    O(1)     49(6)      48(6)      31(5)      -2(6)       3(4)       6(6)
    O(2)     54(8)      51(8)      46(7)       0          0          1(6)
    Si(1)    35(5)      50(5)      34(2)      -1(3)       3(2)      -4(2)
    Cl(1)    34(3)      57(5)      76(11)      0          0         15(4)
    _______________________________________________________________________
 
