Table 1. Crystal data and structure refinement for 94src242. Identification code 94src242. Empirical formula C39 H38 B F15 Hf Si2 Formula weight 1037.17 Temperature 120(2) K Wavelength 0.71069 A Crystal system Triclinic Space group P1 Unit cell dimensions a = 11.289(7) A alpha = 95.06(4) deg. b = 12.891(8) A beta = 95.64(5) deg. c = 14.531(8) A gamma = 105.50(3) deg. Volume 2013(2) A^3 Z 2 Density (calculated) 1.711 Mg/m^3 Absorption coefficient 2.749 mm^-1 F(000) 1024 Crystal size 0.29 x 0.29 x 0.36 mm Theta range for data collection 2.21 to 24.96 deg. Index ranges -12<=h<=12, -14<=k<=13, -16<=l<=12 Reflections collected 8741 Independent reflections 5686 [R(int) = 0.0714] Refinement method Full-matrix least-squares on F^2 Data / restraints / parameters 5678 / 0 / 533 Goodness-of-fit on F^2 1.015 Final R indices [I>2sigma(I)] R1 = 0.0395, wR2 = 0.0956 R indices (all data) R1 = 0.0461, wR2 = 0.1071 Largest diff. peak and hole 1.513 and -1.234 e.A^-3 Table 2. Atomic coordinates ( x 10^4) and equivalent isotropic displacement parameters (A^2 x 10^3) for 94src242. U(eq) is defined as one third of the trace of the orthogonalized Uij tensor. ________________________________________________________________ x y z U(eq) ________________________________________________________________ Hf(1) 808(1) 2627(1) 3323(1) 18(1) Si(1) 3261(2) 959(2) 3773(1) 22(1) Si(2) 3277(2) 5473(2) 3315(1) 22(1) F(1) 9672(3) -4484(3) 1300(2) 26(1) F(2) 11616(3) -4290(3) 402(2) 31(1) F(3) 12734(3) -2355(3) -193(2) 30(1) F(4) 11847(3) -628(3) 144(3) 31(1) F(5) 9882(3) -795(3) 1044(2) 23(1) F(6) 7117(3) -4090(3) 219(2) 25(1) F(7) 5545(3) -6071(3) 89(3) 33(1) F(8) 5191(4) -7106(3) 1654(3) 41(1) F(9) 6477(4) -6102(3) 3328(3) 42(1) F(10) 8055(4) -4154(3) 3459(2) 36(1) F(11) 6822(3) -2259(3) 3119(2) 31(1) F(12) 4998(4) -1375(3) 2786(3) 37(1) F(13) 4499(3) -734(3) 1100(3) 34(1) F(14) 5890(3) -1060(3) -290(2) 31(1) F(15) 7764(3) -1904(3) 21(2) 24(1) B(1) 8523(7) -2720(6) 1893(5) 19(2) C(1) 9374(6) -2188(5) 2881(4) 26(2) C(2) 9592(5) -2675(5) 1177(4) 16(1) C(3) 10132(6) -3496(5) 996(4) 20(1) C(4) 11171(6) -3426(5) 539(4) 20(2) C(5) 11760(6) -2470(5) 243(4) 22(2) C(6) 11296(5) -1582(5) 415(4) 21(2) C(7) 10240(6) -1708(5) 871(4) 19(1) C(8) 7642(5) -3995(5) 1848(4) 19(1) C(9) 6974(5) -4554(5) 1026(4) 20(1) C(10) 6175(6) -5580(5) 922(4) 23(2) C(11) 5999(6) -6100(5) 1716(5) 28(2) C(12) 6632(6) -5603(5) 2552(4) 24(2) C(13) 7430(6) -4574(5) 2606(4) 23(2) C(14) 7463(6) -2090(5) 1608(4) 19(1) C(15) 6690(6) -1920(5) 2263(4) 24(2) C(16) 5712(6) -1491(5) 2109(5) 26(2) C(17) 5433(6) -1183(5) 1252(5) 26(2) C(18) 6155(6) -1323(5) 563(4) 22(2) C(19) 7125(6) -1765(5) 760(4) 22(2) C(20) 2831(6) 2281(5) 3878(4) 22(2) C(21) 2424(5) 2757(5) 4650(4) 22(2) C(22) 2404(6) 3827(5) 4517(4) 21(2) C(23) 2817(5) 4055(5) 3644(4) 18(1) C(24) 3090(5) 3100(5) 3264(4) 19(1) C(25) 2658(7) 180(6) 2607(5) 34(2) C(26) 2659(7) 168(6) 4724(5) 40(2) C(27) 4982(6) 1306(6) 3910(6) 43(2) C(28) 2026(7) 6146(6) 3434(5) 38(2) C(29) 3720(6) 5477(5) 2121(4) 25(2) C(30) 4644(7) 6193(6) 4169(5) 37(2) C(31) 600(6) 1678(5) 1572(4) 20(1) C(32) 1097(6) 2789(5) 1527(4) 19(1) C(33) 417(6) 3486(5) 1769(4) 21(2) C(34) -760(6) 3110(5) 2037(4) 24(2) C(35) -1291(6) 2005(5) 2049(4) 23(2) C(36) -577(5) 1304(5) 1844(4) 21(2) C(37) -2586(6) 1578(6) 2292(5) 33(2) C(38) -41(6) 1046(6) 3852(5) 34(2) C(39) -295(6) 3520(6) 4121(5) 32(2) ________________________________________________________________ Table 3. Selected bond lengths [A] and angles [deg] for 1. _____________________________________________________________ _____________________________________________________________ Symmetry transformations used to generate equivalent atoms: Table 4. Bond lengths [A] and angles [deg] for 94src242. _____________________________________________________________ Hf(1)-C(39) 2.244(7) Hf(1)-C(38) 2.245(7) Hf(1)-C(22) 2.464(6) Hf(1)-C(23) 2.482(6) Hf(1)-C(21) 2.482(6) Hf(1)-C(24) 2.496(6) Hf(1)-C(20) 2.512(6) Hf(1)-C(33) 2.651(6) Hf(1)-C(34) 2.676(6) Hf(1)-C(32) 2.681(6) Hf(1)-C(31) 2.684(6) Hf(1)-C(36) 2.691(6) Si(1)-C(25) 1.857(7) Si(1)-C(27) 1.860(7) Si(1)-C(26) 1.865(7) Si(1)-C(20) 1.890(7) Si(2)-C(29) 1.852(6) Si(2)-C(30) 1.853(7) Si(2)-C(28) 1.859(8) Si(2)-C(23) 1.880(7) F(1)-C(3) 1.370(7) F(2)-C(4) 1.346(7) F(3)-C(5) 1.303(7) F(4)-C(6) 1.334(7) F(5)-C(7) 1.355(7) F(6)-C(9) 1.366(7) F(7)-C(10) 1.352(7) F(8)-C(11) 1.361(7) F(9)-C(12) 1.349(7) F(10)-C(13) 1.354(7) F(11)-C(15) 1.361(7) F(12)-C(16) 1.355(7) F(13)-C(17) 1.342(7) F(14)-C(18) 1.341(7) F(15)-C(19) 1.375(7) B(1)-C(1) 1.630(9) B(1)-C(14) 1.657(9) B(1)-C(2) 1.661(9) B(1)-C(8) 1.670(9) C(2)-C(3) 1.375(9) C(2)-C(7) 1.399(8) C(3)-C(4) 1.390(9) C(4)-C(5) 1.363(9) C(5)-C(6) 1.394(9) C(6)-C(7) 1.399(9) C(8)-C(9) 1.378(8) C(8)-C(13) 1.389(9) C(9)-C(10) 1.373(9) C(10)-C(11) 1.389(9) C(11)-C(12) 1.358(9) C(12)-C(13) 1.381(9) C(14)-C(19) 1.387(9) C(14)-C(15) 1.394(9) C(15)-C(16) 1.370(9) C(16)-C(17) 1.372(9) C(17)-C(18) 1.381(9) C(18)-C(19) 1.380(9) C(20)-C(21) 1.406(9) C(20)-C(24) 1.432(8) C(21)-C(22) 1.416(9) C(22)-C(23) 1.421(9) C(23)-C(24) 1.426(9) C(31)-C(36) 1.396(8) C(31)-C(32) 1.401(9) C(32)-C(33) 1.373(9) C(33)-C(34) 1.394(9) C(34)-C(35) 1.393(9) C(35)-C(36) 1.394(9) C(35)-C(37) 1.506(9) C(39)-Hf(1)-C(38) 93.5(3) C(39)-Hf(1)-C(22) 77.6(2) C(38)-Hf(1)-C(22) 110.5(2) C(39)-Hf(1)-C(23) 97.1(2) C(38)-Hf(1)-C(23) 136.3(2) C(22)-Hf(1)-C(23) 33.4(2) C(39)-Hf(1)-C(21) 95.5(2) C(38)-Hf(1)-C(21) 81.7(2) C(22)-Hf(1)-C(21) 33.3(2) C(23)-Hf(1)-C(21) 55.3(2) C(39)-Hf(1)-C(24) 129.4(2) C(38)-Hf(1)-C(24) 116.3(2) C(22)-Hf(1)-C(24) 54.5(2) C(23)-Hf(1)-C(24) 33.3(2) C(21)-Hf(1)-C(24) 53.9(2) C(39)-Hf(1)-C(20) 128.0(2) C(38)-Hf(1)-C(20) 84.4(2) C(22)-Hf(1)-C(20) 55.3(2) C(23)-Hf(1)-C(20) 56.0(2) C(21)-Hf(1)-C(20) 32.7(2) C(24)-Hf(1)-C(20) 33.2(2) C(39)-Hf(1)-C(33) 93.8(2) C(38)-Hf(1)-C(33) 134.7(2) C(22)-Hf(1)-C(33) 114.8(2) C(23)-Hf(1)-C(33) 86.7(2) C(21)-Hf(1)-C(33) 141.7(2) C(24)-Hf(1)-C(33) 92.3(2) C(20)-Hf(1)-C(33) 123.5(2) C(39)-Hf(1)-C(34) 74.5(2) C(38)-Hf(1)-C(34) 111.8(2) C(22)-Hf(1)-C(34) 130.0(2) C(23)-Hf(1)-C(34) 111.8(2) C(21)-Hf(1)-C(34) 163.3(2) C(24)-Hf(1)-C(34) 122.6(2) C(20)-Hf(1)-C(34) 152.8(2) C(33)-Hf(1)-C(34) 30.3(2) C(39)-Hf(1)-C(32) 123.7(2) C(38)-Hf(1)-C(32) 122.9(2) C(22)-Hf(1)-C(32) 118.2(2) C(23)-Hf(1)-C(32) 84.8(2) C(21)-Hf(1)-C(32) 128.2(2) C(24)-Hf(1)-C(32) 74.4(2) C(20)-Hf(1)-C(32) 99.4(2) C(33)-Hf(1)-C(32) 29.8(2) C(34)-Hf(1)-C(32) 53.6(2) C(39)-Hf(1)-C(31) 135.6(2) C(38)-Hf(1)-C(31) 92.6(2) C(22)-Hf(1)-C(31) 139.4(2) C(23)-Hf(1)-C(31) 108.1(2) C(21)-Hf(1)-C(31) 128.9(2) C(24)-Hf(1)-C(31) 85.6(2) C(20)-Hf(1)-C(31) 96.4(2) C(33)-Hf(1)-C(31) 53.2(2) C(34)-Hf(1)-C(31) 62.5(2) C(32)-Hf(1)-C(31) 30.3(2) C(39)-Hf(1)-C(36) 112.3(2) C(38)-Hf(1)-C(36) 73.9(2) C(22)-Hf(1)-C(36) 169.3(2) C(23)-Hf(1)-C(36) 137.4(2) C(21)-Hf(1)-C(36) 143.6(2) C(24)-Hf(1)-C(36) 114.9(2) C(20)-Hf(1)-C(36) 116.8(2) C(33)-Hf(1)-C(36) 62.0(2) C(34)-Hf(1)-C(36) 52.8(2) C(32)-Hf(1)-C(36) 53.5(2) C(31)-Hf(1)-C(36) 30.1(2) C(25)-Si(1)-C(27) 108.3(4) C(25)-Si(1)-C(26) 111.6(4) C(27)-Si(1)-C(26) 109.8(4) C(25)-Si(1)-C(20) 111.1(3) C(27)-Si(1)-C(20) 107.1(3) C(26)-Si(1)-C(20) 108.8(3) C(29)-Si(2)-C(30) 109.8(3) C(29)-Si(2)-C(28) 111.0(3) C(30)-Si(2)-C(28) 109.2(4) C(29)-Si(2)-C(23) 110.9(3) C(30)-Si(2)-C(23) 104.5(3) C(28)-Si(2)-C(23) 111.4(3) C(1)-B(1)-C(14) 112.8(5) C(1)-B(1)-C(2) 101.6(5) C(14)-B(1)-C(2) 116.0(5) C(1)-B(1)-C(8) 116.5(5) C(14)-B(1)-C(8) 101.1(5) C(2)-B(1)-C(8) 109.6(5) C(3)-C(2)-C(7) 111.9(6) C(3)-C(2)-B(1) 124.0(5) C(7)-C(2)-B(1) 122.5(5) F(1)-C(3)-C(2) 120.2(6) F(1)-C(3)-C(4) 113.8(5) C(2)-C(3)-C(4) 126.0(6) F(2)-C(4)-C(5) 119.6(6) F(2)-C(4)-C(3) 120.5(6) C(5)-C(4)-C(3) 119.9(6) F(3)-C(5)-C(4) 122.7(6) F(3)-C(5)-C(6) 118.9(6) C(4)-C(5)-C(6) 118.3(6) F(4)-C(6)-C(5) 120.5(6) F(4)-C(6)-C(7) 120.5(6) C(5)-C(6)-C(7) 119.0(6) F(5)-C(7)-C(6) 115.1(5) F(5)-C(7)-C(2) 120.0(5) C(6)-C(7)-C(2) 124.9(6) C(9)-C(8)-C(13) 113.1(6) C(9)-C(8)-B(1) 121.2(5) C(13)-C(8)-B(1) 125.6(5) F(6)-C(9)-C(10) 114.9(5) F(6)-C(9)-C(8) 119.3(5) C(10)-C(9)-C(8) 125.8(6) F(7)-C(10)-C(9) 122.2(6) F(7)-C(10)-C(11) 120.1(6) C(9)-C(10)-C(11) 117.7(6) C(12)-C(11)-F(8) 120.2(6) C(12)-C(11)-C(10) 119.9(6) F(8)-C(11)-C(10) 119.9(6) F(9)-C(12)-C(11) 120.6(6) F(9)-C(12)-C(13) 119.9(6) C(11)-C(12)-C(13) 119.4(6) F(10)-C(13)-C(12) 115.6(6) F(10)-C(13)-C(8) 120.3(6) C(12)-C(13)-C(8) 124.1(6) C(19)-C(14)-C(15) 111.6(6) C(19)-C(14)-B(1) 129.7(6) C(15)-C(14)-B(1) 118.5(5) F(11)-C(15)-C(16) 114.3(6) F(11)-C(15)-C(14) 120.2(6) C(16)-C(15)-C(14) 125.4(6) F(12)-C(16)-C(15) 121.1(6) F(12)-C(16)-C(17) 119.0(6) C(15)-C(16)-C(17) 119.9(6) F(13)-C(17)-C(16) 120.5(6) F(13)-C(17)-C(18) 121.1(6) C(16)-C(17)-C(18) 118.4(6) F(14)-C(18)-C(19) 120.9(6) F(14)-C(18)-C(17) 120.0(6) C(19)-C(18)-C(17) 119.0(6) F(15)-C(19)-C(18) 114.7(5) F(15)-C(19)-C(14) 119.6(6) C(18)-C(19)-C(14) 125.7(6) C(21)-C(20)-C(24) 105.4(6) C(21)-C(20)-Si(1) 127.4(5) C(24)-C(20)-Si(1) 126.2(5) C(21)-C(20)-Hf(1) 72.5(4) C(24)-C(20)-Hf(1) 72.8(3) Si(1)-C(20)-Hf(1) 128.4(3) C(20)-C(21)-C(22) 110.0(5) C(20)-C(21)-Hf(1) 74.8(3) C(22)-C(21)-Hf(1) 72.7(3) C(21)-C(22)-C(23) 108.4(6) C(21)-C(22)-Hf(1) 74.1(3) C(23)-C(22)-Hf(1) 74.0(3) C(22)-C(23)-C(24) 105.8(5) C(22)-C(23)-Si(2) 122.1(5) C(24)-C(23)-Si(2) 130.1(5) C(22)-C(23)-Hf(1) 72.6(3) C(24)-C(23)-Hf(1) 73.9(3) Si(2)-C(23)-Hf(1) 130.7(3) C(23)-C(24)-C(20) 110.4(6) C(23)-C(24)-Hf(1) 72.8(3) C(20)-C(24)-Hf(1) 74.0(3) C(36)-C(31)-C(32) 119.6(6) C(36)-C(31)-Hf(1) 75.2(3) C(32)-C(31)-Hf(1) 74.8(4) C(33)-C(32)-C(31) 118.8(6) C(33)-C(32)-Hf(1) 73.9(4) C(31)-C(32)-Hf(1) 75.0(3) C(32)-C(33)-C(34) 121.5(6) C(32)-C(33)-Hf(1) 76.3(4) C(34)-C(33)-Hf(1) 75.8(4) C(35)-C(34)-C(33) 120.5(6) C(35)-C(34)-Hf(1) 78.0(4) C(33)-C(34)-Hf(1) 73.8(4) C(34)-C(35)-C(36) 117.9(6) C(34)-C(35)-C(37) 121.3(6) C(36)-C(35)-C(37) 120.8(6) C(34)-C(35)-Hf(1) 72.3(4) C(36)-C(35)-Hf(1) 72.9(3) C(37)-C(35)-Hf(1) 124.5(4) C(31)-C(36)-C(35) 121.6(6) C(31)-C(36)-Hf(1) 74.7(3) C(35)-C(36)-Hf(1) 77.4(4) _______________________________________________________________ Symmetry transformations used to generate equivalent atoms: Table 5. Anisotropic displacement parameters (A^2 x 10^3) for 94src242. 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 _______________________________________________________________________ Hf(1) 16(1) 22(1) 19(1) 2(1) 7(1) 4(1) Si(1) 18(1) 23(1) 29(1) 8(1) 7(1) 7(1) Si(2) 20(1) 21(1) 25(1) 1(1) 3(1) 4(1) F(1) 26(2) 20(2) 38(2) 10(2) 13(2) 12(2) F(2) 30(2) 32(2) 36(2) 0(2) 8(2) 20(2) F(3) 15(2) 41(3) 29(2) 8(2) 4(2) -3(2) F(4) 26(2) 22(2) 41(2) 5(2) 12(2) -2(2) F(5) 23(2) 13(2) 35(2) 0(2) 9(2) 6(2) F(6) 29(2) 26(2) 18(2) 2(2) 2(2) 5(2) F(7) 24(2) 20(2) 48(3) -8(2) 2(2) 0(2) F(8) 35(2) 23(2) 62(3) 6(2) 20(2) -2(2) F(9) 54(3) 30(2) 46(3) 17(2) 28(2) 7(2) F(10) 54(3) 31(2) 21(2) 7(2) 10(2) 9(2) F(11) 36(2) 43(3) 23(2) 12(2) 16(2) 21(2) F(12) 34(2) 46(3) 43(3) 6(2) 21(2) 24(2) F(13) 25(2) 38(2) 46(3) 7(2) 7(2) 18(2) F(14) 29(2) 33(2) 30(2) 12(2) -1(2) 7(2) F(15) 28(2) 29(2) 19(2) 3(2) 11(2) 12(2) B(1) 21(4) 17(4) 22(4) 3(3) 6(3) 10(3) C(1) 29(4) 24(4) 26(4) 4(3) 4(3) 6(3) C(2) 18(3) 16(3) 13(3) 1(2) 5(2) 2(3) C(3) 18(3) 16(4) 24(4) 6(3) -2(3) 3(3) C(4) 20(3) 23(4) 21(4) -3(3) -1(3) 14(3) C(5) 19(4) 33(4) 15(4) -5(3) 0(3) 14(3) C(6) 13(3) 26(4) 21(4) 6(3) 0(2) -2(3) C(7) 20(3) 18(4) 19(4) 0(3) 3(3) 5(3) C(8) 18(3) 21(4) 24(4) 9(3) 10(3) 10(3) C(9) 17(3) 23(4) 22(4) 1(3) 7(3) 9(3) C(10) 15(3) 23(4) 30(4) -3(3) 8(3) 7(3) C(11) 19(4) 14(4) 51(5) 6(3) 16(3) 2(3) C(12) 28(4) 25(4) 26(4) 9(3) 17(3) 12(3) C(13) 28(4) 23(4) 19(4) 0(3) 4(3) 10(3) C(14) 20(3) 14(3) 20(4) -2(3) 6(3) 3(3) C(15) 25(4) 21(4) 25(4) 1(3) 8(3) 4(3) C(16) 26(4) 25(4) 30(4) 2(3) 16(3) 9(3) C(17) 18(4) 15(4) 42(5) 1(3) 0(3) 4(3) C(18) 21(4) 14(3) 26(4) 1(3) -1(3) 0(3) C(19) 23(4) 18(4) 22(4) -2(3) 7(3) 1(3) C(20) 15(3) 24(4) 24(4) 5(3) 5(3) 3(3) C(21) 18(3) 34(4) 14(4) 6(3) 3(3) 7(3) C(22) 24(4) 26(4) 10(3) -4(3) 1(3) 3(3) C(23) 16(3) 23(4) 14(4) 0(3) 1(2) 6(3) C(24) 5(3) 26(4) 23(4) 6(3) 5(2) -2(3) C(25) 38(4) 33(4) 37(5) 3(3) 9(3) 19(4) C(26) 42(5) 39(5) 53(5) 26(4) 19(4) 27(4) C(27) 21(4) 34(5) 73(6) 10(4) 4(3) 7(4) C(28) 44(5) 27(4) 43(5) 2(3) 18(4) 8(4) C(29) 24(4) 24(4) 27(4) 6(3) 10(3) 4(3) C(30) 36(4) 34(4) 30(4) 4(3) -2(3) -5(4) C(31) 22(3) 27(4) 12(3) 1(3) 1(2) 9(3) C(32) 18(3) 18(4) 20(4) 2(3) 1(2) 4(3) C(33) 21(4) 18(4) 22(4) -1(3) -1(3) 3(3) C(34) 19(4) 28(4) 26(4) -1(3) 5(3) 8(3) C(35) 21(4) 26(4) 25(4) 2(3) 5(3) 9(3) C(36) 20(3) 13(3) 26(4) -3(3) 4(3) 0(3) C(37) 21(4) 35(4) 37(4) -1(3) 10(3) -1(3) C(38) 21(4) 46(5) 31(4) 22(3) 3(3) -2(3) C(39) 21(4) 37(4) 42(5) 0(3) 12(3) 10(3) _______________________________________________________________________ Table 6. Hydrogen coordinates ( x 10^4) and isotropic displacement parameters (A^2 x 10^3) for 94src242. ________________________________________________________________ x y z U(iso) ________________________________________________________________ H(1A) 8874(10) -2309(30) 3380(5) 39 H(1B) 9713(32) -1423(8) 2870(12) 39 H(1C) 10037(23) -2520(24) 2975(14) 39 H(21) 2200(5) 2418(5) 5172(4) 26 H(22) 2163(6) 4301(5) 4930(4) 25 H(24) 3394(5) 3020(5) 2698(4) 23 H(25A) 1771(8) 19(34) 2514(14) 51 H(25B) 2892(39) -485(19) 2571(13) 51 H(25C) 3000(35) 602(17) 2135(5) 51 H(26A) 1769(7) -58(33) 4622(19) 59 H(26B) 2931(37) 614(14) 5312(6) 59 H(26C) 2965(36) -458(22) 4729(22) 59 H(27A) 5292(7) 1786(33) 3466(24) 64 H(27B) 5235(6) 655(8) 3805(35) 64 H(27C) 5308(7) 1654(37) 4528(12) 64 H(28A) 2313(16) 6887(12) 3316(32) 57 H(28B) 1802(31) 6124(34) 4054(11) 57 H(28C) 1315(17) 5776(24) 2994(23) 57 H(29A) 3922(37) 6204(7) 1960(11) 38 H(29B) 3040(15) 5028(27) 1689(6) 38 H(29C) 4426(25) 5200(32) 2095(9) 38 H(30A) 4396(10) 6243(34) 4781(7) 55 H(30B) 4988(27) 6908(14) 4007(19) 55 H(30C) 5256(19) 5800(21) 4161(24) 55 H(31) 1051(6) 1194(5) 1423(4) 24 H(32) 1873(6) 3050(5) 1336(4) 23 H(33) 749(6) 4226(5) 1754(4) 26 H(34) -1194(6) 3601(5) 2209(4) 29 H(36) -893(5) 568(5) 1889(4) 25 H(37A) -3167(7) 1424(34) 1735(6) 49 H(37B) -2768(16) 2111(15) 2716(24) 49 H(37C) -2647(13) 925(20) 2579(28) 49 H(38A) 201(35) 1107(13) 4511(7) 50 H(38B) 240(32) 483(9) 3544(23) 50 H(38C) -928(6) 871(19) 3728(28) 50 H(39A) -1159(7) 3233(25) 3890(21) 49 H(39B) -29(28) 4276(8) 4047(25) 49 H(39C) -169(33) 3431(30) 4770(7) 49 ________________________________________________________________