data_2000025
_chemical_formula_sum 'C122 H230 P6 S8 W6'
_journal_volume 39
_journal_year 2000
_journal_page_first 2747
_journal_name_full 'Inorg.Chem.'
loop_
_publ_author_name
"S.Jin"
"D.Venkataraman"
"F.J.DiSalvo"
_cell_volume   3123.041
_exptl_crystal_colour 'dark red'
_exptl_crystal_density_diffrn 1.724
_exptl_crystal_description 'blocks'
_diffrn_ambient_temperature 165
_refine_ls_R_factor_gt 0.046
_refine_ls_wR_factor_gt 0.046
_symmetry_cell_setting triclinic
_symmetry_space_group_name_H-M 'P -1'
_symmetry_Int_Tables_number 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a 15.0729(1)
_cell_length_b 15.2558(1)
_cell_length_c 16.0623(2)
_cell_angle_alpha 62.161(1)
_cell_angle_beta 78.813(1)
_cell_angle_gamma 73.48
_cell_formula_units_Z 1
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
P 1.05
S 1.02
W 1.37
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
W1 W -0.00043(2) 0.48264(2) 0.39058(2)
W2 W -0.09587(2) 0.61893(2) 0.45484(2)
W3 W 0.09011(2) 0.57993(2) 0.43707(2)
S1 S -0.00608(14) 0.6659(2) 0.30211(15)
S2 S -0.16997(14) 0.5195(2) 0.41652(14)
S3 S 0.16883(14) 0.4481(2) 0.38415(15)
S4 S 0.00489(14) 0.30363(15) 0.49865(15)
P1 P 0.0014(2) 0.4544(2) 0.2423(2)
P2 P -0.2253(2) 0.7832(2) 0.3923(2)
P3 P 0.2142(2) 0.6899(2) 0.3526(2)
C1 C -0.1162(7) 0.4628(8) 0.2166(6)
H1 H -0.1539(7) 0.5296(8) 0.2136(6)
C2 C -0.1664(6) 0.3822(8) 0.2962(7)
H2 H -0.1396(6) 0.3149(8) 0.2962(7)
H3 H -0.1581(6) 0.3765(8) 0.3583(7)
C3 C -0.2707(7) 0.4148(10) 0.2793(8)
H4 H -0.3020(7) 0.361(1) 0.3272(8)
H5 H -0.2983(7) 0.4776(10) 0.2878(8)
C4 C -0.2879(8) 0.4339(10) 0.1835(8)
H6 H -0.2755(8) 0.3676(10) 0.1813(8)
H7 H -0.3544(8) 0.4662(10) 0.1732(8)
C5 C -0.2315(7) 0.4992(9) 0.1050(7)
H8 H -0.2543(7) 0.5702(9) 0.0966(7)
H9 H -0.2390(7) 0.4978(9) 0.0458(7)
C6 C -0.1288(7) 0.4643(9) 0.1234(7)
H10 H -0.0937(7) 0.5111(9) 0.0710(7)
H11 H -0.1042(7) 0.3954(9) 0.1267(7)
C7 C 0.0815(7) 0.3354(7) 0.2410(7)
H12 H 0.1384(7) 0.3258(7) 0.2704(7)
C8 C 0.1148(8) 0.3409(8) 0.1433(7)
H13 H 0.1479(8) 0.3969(8) 0.1077(7)
H14 H 0.0604(8) 0.3566(8) 0.1086(7)
C9 C 0.1813(8) 0.2385(9) 0.1481(8)
H15 H 0.1896(8) 0.2401(9) 0.0848(8)
H16 H 0.2429(8) 0.2332(9) 0.1654(8)
C10 C 0.1467(9) 0.1487(8) 0.2162(9)
H17 H 0.0946(9) 0.1455(8) 0.1892(9)
H18 H 0.1967(9) 0.0879(8) 0.2229(9)
C11 C 0.1149(8) 0.1417(8) 0.3101(8)
H19 H 0.1685(8) 0.1307(8) 0.3437(8)
H20 H 0.0852(8) 0.0831(8) 0.3466(8)
C12 C 0.0433(8) 0.2424(7) 0.3028(8)
H21 H -0.0137(8) 0.2481(7) 0.2770(8)
H22 H 0.0262(8) 0.2389(7) 0.3668(8)
C13 C 0.0391(7) 0.5571(7) 0.1278(7)
H23 H 0.0471(7) 0.5330(7) 0.0781(7)
C14 C -0.0324(8) 0.6565(7) 0.0965(7)
H24 H -0.0476(8) 0.6789(7) 0.1474(7)
H25 H -0.0900(8) 0.6466(7) 0.0844(7)
C15 C 0.0038(10) 0.7384(9) 0.0068(8)
H26 H 0.0141(10) 0.7187(9) -0.0455(8)
H27 H -0.0427(10) 0.8037(9) -0.0112(8)
C16 C 0.0949(12) 0.7514(11) 0.0234(10)
H28 H 0.0848(12) 0.7705(11) 0.0761(10)
H29 H 0.1168(12) 0.8065(11) -0.034(1)
C17 C 0.1677(9) 0.6521(11) 0.0468(9)
H30 H 0.1782(9) 0.6332(11) -0.0060(9)
H31 H 0.2272(9) 0.6605(11) 0.0564(9)
C18 C 0.1343(7) 0.5698(9) 0.1353(8)
H32 H 0.1304(7) 0.5862(9) 0.1889(8)
H33 H 0.1801(7) 0.5046(9) 0.1487(8)
C19 C -0.3024(6) 0.7936(7) 0.3075(7)
H34 H -0.3423(6) 0.8641(7) 0.2818(7)
C20 C -0.3663(6) 0.7180(7) 0.3517(7)
H35 H -0.3287(6) 0.6474(7) 0.3764(7)
H36 H -0.4065(6) 0.7277(7) 0.4046(7)
C21 C -0.4258(8) 0.7370(9) 0.2753(8)
H37 H -0.4657(8) 0.6871(9) 0.3026(8)
H38 H -0.4669(8) 0.8058(9) 0.2556(8)
C22 C -0.3709(8) 0.7293(9) 0.1909(8)
H39 H -0.4135(8) 0.7481(9) 0.1426(8)
H40 H -0.3368(8) 0.6579(9) 0.2085(8)
C23 C -0.3026(8) 0.7972(9) 0.1495(8)
H41 H -0.2638(8) 0.7854(9) 0.0968(8)
H42 H -0.3365(8) 0.8693(9) 0.1240(8)
C24 C -0.2429(7) 0.7760(8) 0.2224(7)
H43 H -0.1984(7) 0.8210(8) 0.1943(7)
H44 H -0.2069(7) 0.7047(8) 0.2456(7)
C25 C -0.1851(7) 0.9063(8) 0.3213(7)
H45 H -0.1304(7) 0.8910(8) 0.2798(7)
C26 C -0.2521(8) 0.9967(8) 0.2548(9)
H46 H -0.2748(8) 0.9760(8) 0.2143(9)
H47 H -0.3063(8) 1.0185(8) 0.2922(9)
C27 C -0.2073(10) 1.0839(9) 0.194(1)
H48 H -0.2536(10) 1.1419(9) 0.1535(10)
H49 H -0.1569(10) 1.0641(9) 0.1521(10)
C28 C -0.1676(11) 1.1171(9) 0.2515(9)
H50 H -0.1354(11) 1.1725(9) 0.2088(9)
H51 H -0.2183(11) 1.1433(9) 0.2890(9)
C29 C -0.1008(9) 1.0288(9) 0.3158(9)
H52 H -0.0759(9) 1.0500(9) 0.3545(9)
H53 H -0.0481(9) 1.0055(9) 0.2779(9)
C30 C -0.1489(8) 0.9413(8) 0.3804(8)
H54 H -0.1044(8) 0.8839(8) 0.4238(8)
H55 H -0.2011(8) 0.9642(8) 0.4189(8)
C31 C -0.3115(6) 0.7964(7) 0.4892(7)
H56 H -0.3338(6) 0.7317(7) 0.5208(7)
C32 C -0.2694(7) 0.7991(8) 0.5677(7)
H57 H -0.2120(7) 0.7452(8) 0.5860(7)
H58 H -0.2533(7) 0.8656(8) 0.5446(7)
C33 C -0.3386(7) 0.7828(9) 0.6518(8)
H59 H -0.3491(7) 0.7132(9) 0.6783(8)
H60 H -0.3125(7) 0.7879(9) 0.7009(8)
C34 C -0.4296(7) 0.8574(8) 0.6287(8)
H61 H -0.4213(7) 0.9257(8) 0.6130(8)
H62 H -0.4741(7) 0.8380(8) 0.6848(8)
C35 C -0.4689(7) 0.8623(8) 0.5475(7)
H63 H -0.5252(7) 0.9181(8) 0.5300(7)
H64 H -0.4874(7) 0.7978(8) 0.5669(7)
C36 C -0.3995(6) 0.8801(7) 0.4624(7)
H65 H -0.3844(6) 0.9471(7) 0.4395(7)
H66 H -0.4267(6) 0.8804(7) 0.4108(7)
C37 C 0.1869(6) 0.7930(7) 0.2315(6)
H67 H 0.1760(6) 0.7572(7) 0.1971(6)
C38 C 0.2639(7) 0.8474(8) 0.1709(8)
H68 H 0.2728(7) 0.8928(8) 0.1954(8)
H69 H 0.3229(7) 0.7967(8) 0.1743(8)
C39 C 0.2390(9) 0.9096(9) 0.0688(8)
H70 H 0.2347(9) 0.8635(9) 0.0429(8)
H71 H 0.2884(9) 0.9461(9) 0.0307(8)
C40 C 0.1462(8) 0.9864(9) 0.0620(9)
H72 H 0.1542(8) 1.0392(9) 0.0776(9)
H73 H 0.1282(8) 1.0204(9) -0.0038(9)
C41 C 0.0711(8) 0.9392(9) 0.1256(8)
H74 H 0.0534(8) 0.8983(9) 0.1012(8)
H75 H 0.0161(8) 0.9935(9) 0.1254(8)
C42 C 0.0979(7) 0.8712(8) 0.2268(8)
H76 H 0.1052(7) 0.9138(8) 0.2552(8)
H77 H 0.0474(7) 0.8362(8) 0.2642(8)
C43 C 0.2432(7) 0.7450(7) 0.4219(7)
H78 H 0.2442(7) 0.6909(7) 0.4884(7)
C44 C 0.1720(8) 0.8385(8) 0.4253(8)
H79 H 0.1720(8) 0.8971(8) 0.3622(8)
H80 H 0.1092(8) 0.8242(8) 0.4416(8)
C45 C 0.1936(9) 0.8653(10) 0.4962(9)
H81 H 0.1941(9) 0.8067(10) 0.5593(9)
H82 H 0.1447(9) 0.9232(10) 0.4992(9)
C46 C 0.2871(8) 0.8939(9) 0.4706(9)
H83 H 0.2859(8) 0.9552(9) 0.4093(9)
H84 H 0.3013(8) 0.9093(9) 0.5193(9)
C47 C 0.3577(9) 0.8092(10) 0.4642(10)
H85 H 0.3640(9) 0.7518(10) 0.5281(10)
H86 H 0.4178(9) 0.8298(10) 0.4426(10)
C48 C 0.3382(7) 0.7725(9) 0.3986(8)
H87 H 0.3871(7) 0.7120(9) 0.4022(8)
H88 H 0.3411(7) 0.8263(9) 0.3330(8)
C49 C 0.3334(7) 0.6181(8) 0.3272(7)
H89 H 0.3771(7) 0.6641(8) 0.3077(7)
C50 C 0.3677(6) 0.5237(7) 0.4170(7)
H90 H 0.3644(6) 0.5444(7) 0.4677(7)
H91 H 0.3258(6) 0.4765(7) 0.4378(7)
C51 C 0.4650(7) 0.4687(7) 0.4039(8)
H92 H 0.4832(7) 0.4074(7) 0.4631(8)
H93 H 0.5084(7) 0.5134(7) 0.3869(8)
C52 C 0.4686(7) 0.4377(8) 0.3232(9)
H94 H 0.5329(7) 0.4044(8) 0.3105(9)
H95 H 0.4286(7) 0.3889(8) 0.3423(9)
C53 C 0.4347(8) 0.5336(9) 0.2339(8)
H96 H 0.4776(8) 0.5796(9) 0.2132(8)
H97 H 0.4364(8) 0.5139(9) 0.1828(8)
C54 C 0.3384(7) 0.5897(7) 0.2483(7)
H98 H 0.2941(7) 0.5463(7) 0.2637(7)
H99 H 0.3210(7) 0.6518(7) 0.1894(7)
C55 C -0.5766(28) 1.0176(33) 0.2079(27)
H100 H -0.6281(28) 0.9843(33) 0.2420(27)
H101 H -0.5867(28) 1.0811(33) 0.2136(27)
H102 H -0.5183(28) 0.9725(33) 0.2349(27)
C56 C -0.5718(22) 1.0406(25) 0.1067(26)
H103 H -0.6298(22) 1.0869(25) 0.0778(26)
H104 H -0.5613(22) 0.9775(25) 0.0993(26)
C57 C -0.4903(26) 1.0912(27) 0.0618(26)
H105 H -0.4856(26) 1.1177(27) -0.0077(26)
H106 H -0.4312(26) 1.0435(27) 0.0867(26)
C58 C -0.5149(21) 1.1781(25) 0.0915(23)
H107 H -0.5829(21) 1.2053(25) 0.0920(23)
H108 H -0.4962(21) 1.1515(25) 0.1563(23)
C59 C -0.467(3) 1.2620(28) 0.0252(29)
H109 H -0.495(3) 1.2980(28) -0.0363(29)
H110 H -0.4007(30) 1.2327(28) 0.0145(29)
C60 C -0.4754(28) 1.340(3) 0.0664(30)
H111 H -0.4589(28) 1.3019(30) 0.1329(30)
H112 H -0.4304(28) 1.3834(30) 0.0303(30)
C61 C -0.5694(31) 1.4055(34) 0.0625(35)
H113 H -0.5708(31) 1.4518(34) 0.0895(35)
H114 H -0.6143(31) 1.3631(34) 0.0987(35)
H115 H -0.5854(31) 1.4452(34) -0.0033(35)
W1A* W 0.00043(2) 0.51736(2) 0.60942(2)
W2A* W 0.09587(2) 0.38107(2) 0.54516(2)
W3A* W -0.09011(2) 0.42007(2) 0.56293(2)
S1A* S 0.00608(14) 0.3341(2) 0.69789(15)
S2A* S 0.16997(14) 0.4805(2) 0.58348(14)
S3A* S -0.16883(14) 0.5519(2) 0.61585(15)
S4A* S -0.00489(14) 0.69637(15) 0.50135(15)
P1A* P -0.0014(2) 0.5456(2) 0.7577(2)
C1A* C 0.1162(7) 0.5372(8) 0.7834(6)
H1A* H 0.1539(7) 0.4704(8) 0.7864(6)
C2A* C 0.1664(6) 0.6178(8) 0.7038(7)
H2A* H 0.1396(6) 0.6851(8) 0.7038(7)
H3A* H 0.1581(6) 0.6235(8) 0.6417(7)
C3A* C 0.2707(7) 0.5852(10) 0.7207(8)
H4A* H 0.3020(7) 0.639(1) 0.6728(8)
H5A* H 0.2983(7) 0.5224(10) 0.7122(8)
C4A* C 0.2879(8) 0.5661(10) 0.8165(8)
H6A* H 0.2755(8) 0.6324(10) 0.8187(8)
H7A* H 0.3544(8) 0.5338(10) 0.8268(8)
C5A* C 0.2315(7) 0.5008(9) 0.8950(7)
H8A* H 0.2543(7) 0.4298(9) 0.9034(7)
H9A* H 0.2390(7) 0.5022(9) 0.9542(7)
C6A* C 0.1288(7) 0.5357(9) 0.8766(7)
H10A* H 0.0937(7) 0.4889(9) 0.9290(7)
H11A* H 0.1042(7) 0.6046(9) 0.8733(7)
C7A* C -0.0815(7) 0.6646(7) 0.7590(7)
H12A* H -0.1384(7) 0.6742(7) 0.7296(7)
C8A* C -0.1148(8) 0.6591(8) 0.8567(7)
H13A* H -0.1479(8) 0.6031(8) 0.8923(7)
H14A* H -0.0604(8) 0.6434(8) 0.8914(7)
C9A* C -0.1813(8) 0.7615(9) 0.8519(8)
H15A* H -0.1896(8) 0.7599(9) 0.9152(8)
H16A* H -0.2429(8) 0.7668(9) 0.8346(8)
C10A* C -0.1467(9) 0.8513(8) 0.7838(9)
H17A* H -0.0946(9) 0.8545(8) 0.8108(9)
H18A* H -0.1967(9) 0.9121(8) 0.7771(9)
C11A* C -0.1149(8) 0.8583(8) 0.6899(8)
H19A* H -0.1685(8) 0.8693(8) 0.6563(8)
H20A* H -0.0852(8) 0.9169(8) 0.6534(8)
C12A* C -0.0433(8) 0.7576(7) 0.6972(8)
H21A* H 0.0137(8) 0.7519(7) 0.7230(8)
H22A* H -0.0262(8) 0.7611(7) 0.6332(8)
C13A* C -0.0391(7) 0.4429(7) 0.8722(7)
H23A* H -0.0471(7) 0.4670(7) 0.9219(7)
C14A* C 0.0324(8) 0.3435(7) 0.9035(7)
H24A* H 0.0476(8) 0.3211(7) 0.8526(7)
H25A* H 0.0900(8) 0.3534(7) 0.9156(7)
C15A* C -0.0038(10) 0.2616(9) 0.9932(8)
H26A* H -0.0141(10) 0.2813(9) 1.0455(8)
H27A* H 0.0427(10) 0.1963(9) 1.0112(8)
C16A* C -0.0949(12) 0.2486(11) 0.9766(10)
H28A* H -0.0848(12) 0.2295(11) 0.9239(10)
H29A* H -0.1168(12) 0.1935(11) 1.034(1)
C17A* C -0.1677(9) 0.3479(11) 0.9532(9)
H30A* H -0.1782(9) 0.3668(11) 1.0060(9)
H31A* H -0.2272(9) 0.3395(11) 0.9436(9)
C18A* C -0.1343(7) 0.4302(9) 0.8647(8)
H32A* H -0.1304(7) 0.4138(9) 0.8111(8)
H33A* H -0.1801(7) 0.4954(9) 0.8513(8)
P3A* P -0.2142(2) 0.3101(2) 0.6474(2)
C37A* C -0.1869(6) 0.2070(7) 0.7685(6)
H67A* H -0.1760(6) 0.2428(7) 0.8029(6)
C38A* C -0.2639(7) 0.1526(8) 0.8291(8)
H68A* H -0.2728(7) 0.1072(8) 0.8046(8)
H69A* H -0.3229(7) 0.2033(8) 0.8257(8)
C39A* C -0.2390(9) 0.0904(9) 0.9312(8)
H70A* H -0.2347(9) 0.1365(9) 0.9571(8)
H71A* H -0.2884(9) 0.0539(9) 0.9693(8)
C40A* C -0.1462(8) 0.0136(9) 0.9380(9)
H72A* H -0.1542(8) -0.0392(9) 0.9224(9)
H73A* H -0.1282(8) -0.0204(9) 1.0038(9)
C41A* C -0.0711(8) 0.0608(9) 0.8744(8)
H74A* H -0.0534(8) 0.1017(9) 0.8988(8)
H75A* H -0.0161(8) 0.0065(9) 0.8746(8)
C42A* C -0.0979(7) 0.1288(8) 0.7732(8)
H76A* H -0.1052(7) 0.0862(8) 0.7448(8)
H77A* H -0.0474(7) 0.1638(8) 0.7358(8)
C43A* C -0.2432(7) 0.2550(7) 0.5781(7)
H78A* H -0.2442(7) 0.3091(7) 0.5116(7)
C44A* C -0.1720(8) 0.1615(8) 0.5747(8)
H79A* H -0.1720(8) 0.1029(8) 0.6378(8)
H80A* H -0.1092(8) 0.1758(8) 0.5584(8)
C45A* C -0.1936(9) 0.1347(10) 0.5038(9)
H81A* H -0.1941(9) 0.1933(10) 0.4407(9)
H82A* H -0.1447(9) 0.0768(10) 0.5008(9)
C46A* C -0.2871(8) 0.1061(9) 0.5294(9)
H83A* H -0.2859(8) 0.0448(9) 0.5907(9)
H84A* H -0.3013(8) 0.0907(9) 0.4807(9)
C47A* C -0.3577(9) 0.1908(10) 0.5358(10)
H85A* H -0.3640(9) 0.2482(10) 0.4719(10)
H86A* H -0.4178(9) 0.1702(10) 0.5574(10)
C48A* C -0.3382(7) 0.2275(9) 0.6014(8)
H87A* H -0.3871(7) 0.2880(9) 0.5978(8)
H88A* H -0.3411(7) 0.1737(9) 0.6670(8)
C49A* C -0.3334(7) 0.3819(8) 0.6728(7)
H89A* H -0.3771(7) 0.3359(8) 0.6923(7)
C50A* C -0.3677(6) 0.4763(7) 0.5830(7)
H90A* H -0.3644(6) 0.4556(7) 0.5323(7)
H91A* H -0.3258(6) 0.5235(7) 0.5622(7)
C51A* C -0.4650(7) 0.5313(7) 0.5961(8)
H92A* H -0.4832(7) 0.5926(7) 0.5369(8)
H93A* H -0.5084(7) 0.4866(7) 0.6131(8)
C52A* C -0.4686(7) 0.5623(8) 0.6768(9)
H94A* H -0.5329(7) 0.5956(8) 0.6895(9)
H95A* H -0.4286(7) 0.6111(8) 0.6577(9)
C53A* C -0.4347(8) 0.4664(9) 0.7661(8)
H96A* H -0.4776(8) 0.4204(9) 0.7868(8)
H97A* H -0.4364(8) 0.4861(9) 0.8172(8)
C54A* C -0.3384(7) 0.4103(7) 0.7517(7)
H98A* H -0.2941(7) 0.4537(7) 0.7363(7)
H99A* H -0.3210(7) 0.3482(7) 0.8106(7)
P2A* P 0.2253(2) 0.2168(2) 0.6077(2)
C19A* C 0.3024(6) 0.2064(7) 0.6925(7)
H34A* H 0.3423(6) 0.1359(7) 0.7182(7)
C20A* C 0.3663(6) 0.2820(7) 0.6483(7)
H35A* H 0.3287(6) 0.3526(7) 0.6236(7)
H36A* H 0.4065(6) 0.2723(7) 0.5954(7)
C21A* C 0.4258(8) 0.2630(9) 0.7247(8)
H37A* H 0.4657(8) 0.3129(9) 0.6974(8)
H38A* H 0.4669(8) 0.1942(9) 0.7444(8)
C22A* C 0.3709(8) 0.2707(9) 0.8091(8)
H39A* H 0.4135(8) 0.2519(9) 0.8574(8)
H40A* H 0.3368(8) 0.3421(9) 0.7915(8)
C23A* C 0.3026(8) 0.2028(9) 0.8505(8)
H41A* H 0.2638(8) 0.2146(9) 0.9032(8)
H42A* H 0.3365(8) 0.1307(9) 0.8760(8)
C24A* C 0.2429(7) 0.2240(8) 0.7776(7)
H43A* H 0.1984(7) 0.1790(8) 0.8057(7)
H44A* H 0.2069(7) 0.2953(8) 0.7544(7)
C25A* C 0.1851(7) 0.0937(8) 0.6787(7)
H45A* H 0.1304(7) 0.1090(8) 0.7202(7)
C26A* C 0.2521(8) 0.0033(8) 0.7452(9)
H46A* H 0.2748(8) 0.0240(8) 0.7857(9)
H47A* H 0.3063(8) -0.0185(8) 0.7078(9)
C27A* C 0.2073(10) -0.0839(9) 0.806(1)
H48A* H 0.2536(10) -0.1419(9) 0.8465(10)
H49A* H 0.1569(10) -0.0641(9) 0.8479(10)
C28A* C 0.1676(11) -0.1171(9) 0.7485(9)
H50A* H 0.1354(11) -0.1725(9) 0.7912(9)
H51A* H 0.2183(11) -0.1433(9) 0.7110(9)
C29A* C 0.1008(9) -0.0288(9) 0.6842(9)
H52A* H 0.0759(9) -0.0500(9) 0.6455(9)
H53A* H 0.0481(9) -0.0055(9) 0.7221(9)
C30A* C 0.1489(8) 0.0587(8) 0.6196(8)
H54A* H 0.1044(8) 0.1161(8) 0.5762(8)
H55A* H 0.2011(8) 0.0358(8) 0.5811(8)
C31A* C 0.3115(6) 0.2036(7) 0.5108(7)
H56A* H 0.3338(6) 0.2683(7) 0.4792(7)
C32A* C 0.2694(7) 0.2009(8) 0.4323(7)
H57A* H 0.2120(7) 0.2548(8) 0.4140(7)
H58A* H 0.2533(7) 0.1344(8) 0.4554(7)
C33A* C 0.3386(7) 0.2172(9) 0.3482(8)
H59A* H 0.3491(7) 0.2868(9) 0.3217(8)
H60A* H 0.3125(7) 0.2121(9) 0.2991(8)
C34A* C 0.4296(7) 0.1426(8) 0.3713(8)
H61A* H 0.4213(7) 0.0743(8) 0.3870(8)
H62A* H 0.4741(7) 0.1620(8) 0.3152(8)
C35A* C 0.4689(7) 0.1377(8) 0.4525(7)
H63A* H 0.5252(7) 0.0819(8) 0.4700(7)
H64A* H 0.4874(7) 0.2022(8) 0.4331(7)
C36A* C 0.3995(6) 0.1199(7) 0.5376(7)
H65A* H 0.3844(6) 0.0529(7) 0.5605(7)
H66A* H 0.4267(6) 0.1196(7) 0.5892(7)