data_exp_181201-zy01
_audit_creation_method 'Olex2 1.2

(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)

'
_audit_creation_date	2019-05-21
_audit_update_record	2019-05-21
_chemical_formula_sum	'C6 F1.87 La0.09 O0.80 S0.36'
_chemical_formula_weight	144.070
_refine_ls_R_factor_all	0.403
_cell_length_a	15.1840(5)
_cell_length_b	15.6113(7)
_cell_length_c	47.3346(11)
_cell_angle_alpha	99.304(3)
_cell_angle_beta	91.333(2)
_cell_angle_gamma	110.381(3)
_cell_volume	10341.0(7)
_cell_formula_units_Z	45
_symmetry_int_tables_number	2
_symmetry_space_group_name_H-M	'P -1'
_symmetry_space_group_name_Hall	'-P_1'

loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z

loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_radius_bond
La	?	1.200
S	?	1.200
O	?	1.200
F	?	1.200
C	?	1.200


loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_attached_hydrogens
_atom_site_calc_flag
_atom_site_thermal_displace_type
_atom_site_u_iso_or_equiv
La01 La  0.5948(1)  0.5450(1)  0.9192(0)  1.000 2 i ? d Uiso  0.0603(3)
La02 La  0.9730(1)  0.5114(1)  0.5928(0)  1.000 2 i ? d Uiso  0.0772(4)
S003 S  0.6254(3)  0.4439(3)  0.7647(1)  1.000 2 i ? d Uiso  0.0548(10)
S004 S  0.8794(3)  0.6118(3)  0.7980(1)  1.000 2 i ? d Uiso  0.0629(12)
S005 S  0.8406(3)  0.4083(3)  0.7345(1)  1.000 2 i ? d Uiso  0.0621(11)
S006 S  0.3574(3)  0.3740(3)  0.7490(1)  1.000 2 i ? d Uiso  0.0616(11)
S007 S  0.7749(3)  0.6346(3)  0.7264(1)  1.000 2 i ? d Uiso  0.0661(12)
S008 S  1.1082(3)  0.6618(3)  0.8432(1)  1.000 2 i ? d Uiso  0.0651(12)
S009 S  0.8185(4)  0.1549(3)  0.7110(1)  1.000 2 i ? d Uiso  0.0754(14)
S00A S  0.8523(4)  0.8814(4)  0.7166(1)  1.000 2 i ? d Uiso  0.0852(15)
O00C O  0.5857(8)  0.4350(8)  0.8764(3)  1.000 2 i ? d Uiso  0.069(3)
O00D O  0.4811(8)  0.5508(8)  0.8813(3)  1.000 2 i ? d Uiso  0.068(3)
O00E O  0.5782(8)  0.7026(8)  0.9282(3)  1.000 2 i ? d Uiso  0.066(3)
O00F O  0.4220(8)  0.4335(8)  0.9186(3)  1.000 2 i ? d Uiso  0.078(4)
O00G O  0.8432(8)  0.5383(8)  0.6170(3)  1.000 2 i ? d Uiso  0.071(3)
O00H O  0.5491(10)  0.5538(9)  0.9718(4)  1.000 2 i 1 d Uiso  0.095(4)
O00I O  0.7509(8)  0.5269(8)  0.9138(3)  1.000 2 i ? d Uiso  0.069(3)
O00J O  0.7321(10)  0.6658(9)  0.9552(3)  1.000 2 i ? d Uiso  0.095(4)
O00K O  0.5932(8)  0.3931(8)  0.9301(3)  1.000 2 i ? d Uiso  0.075(3)
O00L O  0.6815(8)  0.6430(8)  0.8859(3)  1.000 2 i ? d Uiso  0.076(3)
F00M F  0.3580(9)  0.1367(8)  0.7424(3)  1.000 2 i ? d Uiso  0.106(4)
C00N C  0.5913(10)  0.3717(10)  0.7891(4)  1.000 2 i ? d Uiso  0.048(4)
O00O O  1.0120(9)  0.4917(9)  0.6416(3)  1.000 2 i ? d Uiso  0.084(4)
F00P F  0.4948(7) -0.0274(7)  0.6894(3)  1.000 2 i ? d Uiso  0.089(3)
O00Q O  1.1543(9)  0.5640(9)  0.6029(3)  1.000 2 i ? d Uiso  0.091(4)
O00R O  0.8637(9)  0.3626(9)  0.6067(3)  1.000 2 i ? d Uiso  0.094(4)
C00S C  0.6023(10)  0.3960(9)  0.8185(3)  1.000 2 i ? d Uiso  0.043(3)
C00T C  0.5901(12)  0.3571(11)  0.7355(4)  1.000 2 i ? d Uiso  0.061(4)
C00U C  0.8615(11)  0.6906(10)  0.8231(4)  1.000 2 i ? d Uiso  0.052(4)
C00V C  0.9954(10)  0.504(1)  0.8484(3)  1.000 2 i ? d Uiso  0.046(4)
F00W F  1.1805(9)  0.3902(9)  0.8372(3)  1.000 2 i ? d Uiso  0.115(4)
C00X C  0.4265(10)  0.5002(10)  0.8315(4)  1.000 2 i ? d Uiso  0.049(4)
C00Y C  0.9682(12)  0.6991(11)  0.7862(4)  1.000 2 i ? d Uiso  0.063(4)
F00Z F  0.9441(9)  0.1883(9)  0.7760(3)  1.000 2 i ? d Uiso  0.112(4)
C010 C  0.4311(11)  0.4859(11)  0.8635(4)  1.000 2 i ? d Uiso  0.056(4)
C011 C  0.3900(12)  0.4614(11)  0.7288(4)  1.000 2 i ? d Uiso  0.063(5)
F012 F  0.3684(9)  0.1850(9)  0.7008(3)  1.000 2 i ? d Uiso  0.116(4)
C013 C  0.9881(11)  0.7808(11)  0.8000(4)  1.000 2 i ? d Uiso  0.058(4)
C014 C  0.9280(12)  0.7805(11)  0.8212(4)  1.000 2 i ? d Uiso  0.062(4)
C015 C  0.5956(11)  0.3713(11)  0.7058(4)  1.000 2 i ? d Uiso  0.062(4)
C016 C  1.0509(12)  0.4870(11)  0.8266(4)  1.000 2 i ? d Uiso  0.064(5)
C017 C  0.5678(11)  0.3196(11)  0.8353(4)  1.000 2 i ? d Uiso  0.057(4)
C018 C  0.7088(12)  0.1332(12)  0.7209(4)  1.000 2 i ? d Uiso  0.065(5)
C019 C  0.5559(11)  0.2778(11)  0.7748(4)  1.000 2 i ? d Uiso  0.059(4)
C01A C  0.5503(12)  0.2695(12)  0.7434(4)  1.000 2 i ? d Uiso  0.068(5)
F01B F  0.3686(10)  0.7148(10)  0.7638(4)  1.000 2 i ? d Uiso  0.130(5)
C01C C  0.5920(12)  0.3200(12)  0.9160(4)  1.000 2 i ? d Uiso  0.066(5)
C01D C  0.7002(12)  0.1891(11)  0.6806(4)  1.000 2 i ? d Uiso  0.063(4)
O01E O  1.0311(9)  0.6678(8)  0.6249(3)  1.000 2 i ? d Uiso  0.080(4)
F01F F  0.3772(12) -0.0130(12)  0.7214(4)  1.000 2 i ? d Uiso  0.163(6)
F01G F  1.0338(10)  0.3064(10)  0.8500(4)  1.000 2 i ? d Uiso  0.136(5)
C01H C  0.8799(10)  0.3754(9)  0.7646(3)  1.000 2 i 1 d Uiso  0.043(3)
C01I C  0.9687(12)  0.6238(11)  0.8810(4)  1.000 2 i ? d Uiso  0.059(4)
F01J F  1.2022(10)  0.852(1)  0.8134(4)  1.000 2 i ? d Uiso  0.141(5)
C01K C  0.7627(12)  0.5720(11)  0.6658(4)  1.000 2 i ? d Uiso  0.065(5)
C01L C  0.3710(11)  0.3967(11)  0.8688(4)  1.000 2 i ? d Uiso  0.060(4)
C01M C  0.6446(11)  0.1515(10)  0.7028(4)  1.000 2 i ? d Uiso  0.055(4)
F01N F  1.1494(10)  1.0667(10)  0.7709(4)  1.000 2 i ? d Uiso  0.137(5)
C01O C  0.4246(10)  0.5469(10)  0.7458(4)  1.000 2 i ? d Uiso  0.049(4)
C01P C  0.5866(13)  0.3499(13)  0.8671(5)  1.000 2 i ? d Uiso  0.077(5)
C01Q C  0.7973(12)  0.6743(11)  0.8448(4)  1.000 2 i ? d Uiso  0.065(5)
C01R C  1.1133(11)  0.5654(10)  0.8226(4)  1.000 2 i ? d Uiso  0.053(4)
O01S O  1.0239(11)  0.3759(11)  0.5776(4)  1.000 2 i ? d Uiso  0.111(5)
C01T C  0.5346(11)  0.6820(11)  0.7241(4)  1.000 2 i ? d Uiso  0.056(4)
C01U C  1.0652(13)  0.8678(12)  0.7940(4)  1.000 2 i ? d Uiso  0.068(5)
C01V C  0.3881(11)  0.4311(10)  0.8083(4)  1.000 2 i ? d Uiso  0.053(4)
C01W C  1.0272(15)  0.6707(14)  0.7615(5)  1.000 2 i ? d Uiso  0.093(6)
C01X C  0.3752(12)  0.4382(12)  0.6966(4)  1.000 2 i ? d Uiso  0.069(5)
C01Y C  0.9477(11)  0.4251(10)  0.7197(4)  1.000 2 i ? d Uiso  0.052(4)
C01Z C  0.5812(13)  0.2858(12)  0.8833(5)  1.000 2 i ? d Uiso  0.073(5)
C020 C  0.9296(12)  0.8377(12)  0.7014(4)  1.000 2 i ? d Uiso  0.067(5)
C021 C  1.0019(11)  0.8450(11)  0.7185(4)  1.000 2 i ? d Uiso  0.059(4)
C022 C  0.9175(13)  0.4352(12)  0.8585(4)  1.000 2 i ? d Uiso  0.069(5)
F023 F  0.5945(13)  0.1678(13)  0.9169(5)  1.000 2 i ? d Uiso  0.181(7)
C024 C  0.4563(11)  0.6361(10)  0.7357(4)  1.000 2 i ? d Uiso  0.053(4)
C025 C  1.0179(11)  0.5895(11)  0.8578(4)  1.000 2 i ? d Uiso  0.061(4)
O026 O  0.8239(13)  0.4534(11)  0.5617(4)  1.000 2 i ? d Uiso  0.128(6)
C027 C  0.8212(14)  0.7060(13)  0.9496(5)  1.000 2 i ? d Uiso  0.077(5)
C028 C  0.6301(13)  0.7774(13)  0.9224(4)  1.000 2 i ? d Uiso  0.070(5)
C029 C  0.8662(12)  0.4651(12)  0.8778(4)  1.000 2 i ? d Uiso  0.067(5)
F02A F  1.0623(11)  0.2327(10)  0.7562(4)  1.000 2 i ? d Uiso  0.141(5)
C02B C  1.1018(13)  0.4169(12)  0.7304(4)  1.000 2 i ? d Uiso  0.071(5)
C02C C  0.8162(14)  0.3411(13)  0.7867(5)  1.000 2 i ? d Uiso  0.082(6)
F02D F  1.1731(14)  0.2640(13)  0.7961(5)  1.000 2 i ? d Uiso  0.194(8)
C02E C  0.5951(14)  0.5888(13)  0.9958(5)  1.000 2 i ? d Uiso  0.077(5)
C02F C  0.9907(12)  0.8844(11)  0.7474(4)  1.000 2 i ? d Uiso  0.066(5)
C02G C  0.5327(12)  0.2254(12)  0.8209(4)  1.000 2 i ? d Uiso  0.067(5)
C02H C  0.4272(10)  0.5458(10)  0.7769(4)  1.000 2 i 1 d Uiso  0.047(4)
C02I C  0.8814(13)  0.3011(12)  0.6165(4)  1.000 2 i ? d Uiso  0.070(5)
C02J C  0.6146(11)  0.6496(11)  0.7190(4)  1.000 2 i ? d Uiso  0.059(4)
C02K C  0.7098(11)  0.552(1)  0.6429(4)  1.000 2 i ? d Uiso  0.054(4)
C02L C  1.0147(10)  0.3504(10)  0.7863(4)  1.000 2 i ? d Uiso  0.050(4)
C02M C  1.0650(13)  0.9049(13)  0.7731(5)  1.000 2 i ? d Uiso  0.074(5)
O02N O  0.9559(10)  0.6422(10)  0.5681(3)  1.000 2 i ? d Uiso  0.102(5)
C02O C  0.508(1)  0.1831(9)  0.7240(3)  1.000 2 i ? d Uiso  0.045(3)
C02P C  0.8364(13)  0.5944(12)  0.9126(4)  1.000 2 i ? d Uiso  0.070(5)
F02Q F  0.5984(11)  0.8332(11)  0.7262(4)  1.000 2 i ? d Uiso  0.147(5)
C02R C  0.3977(10)  0.4576(10)  0.7806(4)  1.000 2 i ? d Uiso  0.049(4)
C02T C  0.3714(12)  0.3844(11)  0.8954(4)  1.000 2 i ? d Uiso  0.059(4)
C02U C  0.7256(11)  0.6072(10)  0.6911(4)  1.000 2 i ? d Uiso  0.052(4)
C02V C  0.7937(12)  0.1945(11)  0.6807(4)  1.000 2 i ? d Uiso  0.060(4)
F02W F  1.1448(12)  0.9111(11)  0.8386(4)  1.000 2 i ? d Uiso  0.155(6)
C02X C  0.8723(13)  0.6792(13)  0.9320(5)  1.000 2 i ? d Uiso  0.073(5)
F02Y F  0.3050(9)  0.6391(9)  0.7222(3)  1.000 2 i ? d Uiso  0.117(4)
C02Z C  0.8200(13)  0.2598(12)  0.6398(4)  1.000 2 i ? d Uiso  0.072(5)
F030 F  1.0655(11)  0.1690(11)  0.8135(4)  1.000 2 i ? d Uiso  0.148(6)
C031 C  0.9139(13)  0.9033(12)  0.7483(4)  1.000 2 i ? d Uiso  0.071(5)
C032 C  0.6381(11)  0.6159(11)  0.6901(4)  1.000 2 i ? d Uiso  0.057(4)
C033 C  1.0510(11)  0.3895(11)  0.8112(4)  1.000 2 i ? d Uiso  0.056(4)
F034 F  0.2394(12)  0.2396(12)  0.8790(4)  1.000 2 i ? d Uiso  0.161(6)
C035 C  1.1945(13)  0.5846(12)  0.8013(5)  1.000 2 i ? d Uiso  0.077(5)
C036 C  0.9569(17)  0.2659(16)  0.6102(6)  1.000 2 i ? d Uiso  0.106(7)
C037 C  0.9691(10)  0.3771(9)  0.7639(3)  1.000 2 i ? d Uiso  0.044(3)
C038 C  0.4668(13)  0.6153(13)  0.8006(5)  1.000 2 i ? d Uiso  0.075(5)
C039 C  0.8526(12)  0.2266(11)  0.6608(4)  1.000 2 i ? d Uiso  0.061(4)
C03A C  0.5508(12)  0.1356(11)  0.7051(4)  1.000 2 i ? d Uiso  0.062(4)
F03B F  0.3074(15)  0.0000(14)  0.6880(5)  1.000 2 i ? d Uiso  0.191(8)
C03C C  0.4642(12)  0.5938(11)  0.8279(4)  1.000 2 i ? d Uiso  0.064(5)
F03D F  0.5240(15)  0.2144(14)  0.9459(5)  1.000 2 i ? d Uiso  0.180(7)
C03E C  0.8926(13)  0.5566(13)  0.8912(5)  1.000 2 i ? d Uiso  0.075(5)
F03F F  0.4686(12)  0.0563(12)  0.6615(4)  1.000 2 i ? d Uiso  0.161(6)
C03G C  1.0627(13)  0.4707(12)  0.6857(4)  1.000 2 i ? d Uiso  0.071(5)
C03H C  0.6605(17)  0.5541(16)  1.0084(6)  1.000 2 i 1 d Uiso  0.109(8)
F03I F  0.2533(15)  0.3095(14)  0.9238(5)  1.000 2 i ? d Uiso  0.197(8)
C03J C  1.0120(11)  0.4098(10)  0.7378(4)  1.000 2 i ? d Uiso  0.056(4)
C03K C  1.1273(13)  0.4480(12)  0.7029(4)  1.000 2 i ? d Uiso  0.070(5)
F03L F  0.3860(15)  0.7873(14)  0.7051(5)  1.000 2 i ? d Uiso  0.200(8)
F03M F  0.3397(11)  0.2457(11)  0.9125(4)  1.000 2 i ? d Uiso  0.143(5)
C03N C  0.6674(11)  0.2244(11)  0.6563(4)  1.000 2 i ? d Uiso  0.059(4)
C03O C  1.1528(18)  0.9074(19)  0.8118(7)  1.000 2 i ? d Uiso  0.115(8)
F03P F  0.5249(10)  0.7595(10)  0.6857(4)  1.000 2 i ? d Uiso  0.141(5)
C03Q C  0.7216(13)  0.7327(12)  0.8842(4)  1.000 2 i ? d Uiso  0.071(5)
C03R C  0.5217(12)  0.2029(11)  0.7916(4)  1.000 2 i ? d Uiso  0.063(5)
C03S C  0.9129(15)  0.7970(15)  0.6702(5)  1.000 2 i ? d Uiso  0.096(7)
C03T C  0.5875(11)  0.5967(11)  0.6647(4)  1.000 2 i ? d Uiso  0.061(4)
C03U C  0.9713(12)  0.4574(12)  0.6946(4)  1.000 2 i ? d Uiso  0.067(5)
C03V C  1.0961(13)  0.3411(12)  0.8304(4)  1.000 2 i ? d Uiso  0.067(5)
F03W F  0.6693(13)  0.9387(13)  0.9397(4)  1.000 2 i ? d Uiso  0.171(7)
C03X C  0.6833(12)  0.6637(11)  0.7385(4)  1.000 2 i ? d Uiso  0.064(5)
C03Y C  1.0757(14)  0.2555(13)  0.8063(5)  1.000 2 i ? d Uiso  0.077(5)
C03Z C  0.8572(15)  0.8503(15)  0.8640(5)  1.000 2 i ? d Uiso  0.093(6)
C040 C  0.7297(12)  0.2576(11)  0.6379(4)  1.000 2 i ? d Uiso  0.063(5)
C041 C  0.6240(13)  0.5617(12)  0.6370(4)  1.000 2 i ? d Uiso  0.074(5)
C042 C  1.2009(17)  0.5513(16)  0.6216(6)  1.000 2 i ? d Uiso  0.105(7)
C043 C  1.0754(13)  0.8104(12)  0.7075(5)  1.000 2 i ? d Uiso  0.072(5)
C044 C  0.6989(13)  0.8040(13)  0.9030(5)  1.000 2 i ? d Uiso  0.077(5)
C045 C  0.4022(16)  0.1363(15)  0.7185(6)  1.000 2 i ? d Uiso  0.096(7)
C046 C  1.0281(16)  0.2573(15)  0.7797(5)  1.000 2 i ? d Uiso  0.088(6)
C047 C  0.3808(15)  0.6828(14)  0.7368(5)  1.000 2 i ? d Uiso  0.080(6)
C048 C  0.7915(12)  0.7494(11)  0.8627(4)  1.000 2 i ? d Uiso  0.062(4)
C049 C  0.386(2)  0.044(2)  0.7001(7)  1.000 2 i ? d Uiso  0.126(9)
C04A C  0.9230(12)  0.8641(11)  0.8422(4)  1.000 2 i ? d Uiso  0.064(5)
C04B C  0.7618(14)  0.5290(13)  0.6162(5)  1.000 2 i ? d Uiso  0.075(5)
C04C C  0.598(2)  0.862(2)  0.9383(8)  1.000 2 i ? d Uiso  0.131(10)
F04D F  1.3425(15)  0.5449(15)  0.6305(5)  1.000 2 i ? d Uiso  0.213(9)
C04E C  0.607(3)  0.256(2)  0.9522(8)  1.000 2 i ? d Uiso  0.167(13)
C04F C  0.4435(19)  0.7651(18)  0.7232(6)  1.000 2 i ? d Uiso  0.112(8)
F04G F  0.5975(15)  0.8517(15)  0.9644(6)  1.000 2 i ? d Uiso  0.203(8)
C04H C  0.8855(14)  0.9532(13)  0.7760(5)  1.000 2 i 1 d Uiso  0.082(6)
F04I F  0.4490(15)  0.8543(15)  0.7409(5)  1.000 2 i ? d Uiso  0.212(8)
F04J F  1.1855(18)  1.0547(19)  0.8205(6)  1.000 2 i ? d Uiso  0.260(11)
C04K C  1.0660(13)  0.7689(12)  0.6799(5)  1.000 2 i ? d Uiso  0.072(5)
F04L F  0.691(3)  0.271(2)  0.9434(8)  1.000 2 i ? d Uiso  0.325(16)
C04M C  0.5277(16)  0.7633(15)  0.7164(5)  1.000 2 i ? d Uiso  0.087(6)
O04N O  1.0343(11)  0.4996(11)  0.5429(4)  1.000 2 i ? d Uiso  0.122(5)
F04O F  0.5254(14)  0.8621(12)  0.9279(4)  1.000 2 i ? d Uiso  0.174(7)
C04P C  1.176(2)  0.507(2)  0.6471(7)  1.000 2 i ? d Uiso  0.138(10)
C04Q C  0.872(2)  0.783(2)  0.9759(8)  1.000 2 i ? d Uiso  0.128(10)
C04R C  1.017(2)  0.310(2)  0.5905(8)  1.000 2 i ? d Uiso  0.152(11)
C04S C  0.7075(19)  0.4885(19)  0.5915(7)  1.000 2 i ? d Uiso  0.135(10)
F04T F  1.2167(14)  0.9643(14)  0.7556(5)  1.000 2 i ? d Uiso  0.200(8)
F04U F  0.8444(16)  0.7775(16)  1.0007(6)  1.000 2 i ? d Uiso  0.214(9)
C04V C  0.6851(13)  0.7003(13)  0.7714(5)  1.000 2 i ? d Uiso  0.080(6)
C04W C  0.2995(18)  0.2915(17)  0.9044(6)  1.000 2 i ? d Uiso  0.102(7)
C04X C  0.6769(15)  0.0815(15)  0.7463(6)  1.000 2 i ? d Uiso  0.100(7)
C04Y C  1.0772(14)  0.4914(12)  0.6579(5)  1.000 2 i ? d Uiso  0.074(5)
C04Z C  1.043(2)  0.440(2)  0.5227(8)  1.000 2 i ? d Uiso  0.156(11)
C050 C  0.9907(15)  0.7673(15)  0.6604(5)  1.000 2 i ? d Uiso  0.095(7)
F051 F  0.9484(19)  0.8278(17)  0.9683(6)  1.000 2 i ? d Uiso  0.23(1)
F052 F  1.2909(14)  1.0311(13)  0.8080(5)  1.000 2 i ? d Uiso  0.187(7)
C053 C  1.1596(15)  0.9859(15)  0.7724(5)  1.000 2 i ? d Uiso  0.087(6)
C054 C  0.7370(19)  0.4397(17)  0.5639(6)  1.000 2 i ? d Uiso  0.116(8)
C055 C  0.4772(15)  0.0433(14)  0.6884(5)  1.000 2 i ? d Uiso  0.088(6)
C056 C  0.878(3)  0.741(3)  0.5580(9)  1.000 2 i ? d Uiso  0.165(13)
F057 F  0.8877(16)  0.8325(18)  0.5674(6)  1.000 2 i ? d Uiso  0.236(10)
F058 F  0.8349(17)  0.8479(18)  0.9709(6)  1.000 2 i ? d Uiso  0.246(10)
C059 C  1.1982(18)  0.9817(18)  0.7990(6)  1.000 2 i ? d Uiso  0.108(8)
C05A C  1.317(3)  0.582(3)  0.5965(11)  1.000 2 i ? d Uiso  0.166(13)
F05B F  1.289(2)  0.511(3)  0.5871(8)  1.000 2 i ? d Uiso  0.302(17)
C05C C  1.115(2)  1.069(2)  0.6997(7)  1.000 2 i ? d Uiso  0.144(10)
C05D C  0.5751(14)  0.6715(14)  1.0119(5)  1.000 2 i ? d Uiso  0.092(6)
C05E C  0.9332(14)  0.7081(14)  0.5804(5)  1.000 2 i ? d Uiso  0.083(6)
F05G F  0.946(2)  0.7815(19)  0.5401(7)  1.000 2 i ? d Uiso  0.259(11)
C05H C  0.699(2)  0.377(2)  0.5182(7)  1.000 2 i 1 d Uiso  0.144(10)
C05I C  0.951(2)  0.352(2)  0.5127(7)  1.000 2 i ? d Uiso  0.144(10)
C05J C  0.686(2)  0.460(2)  0.5222(8)  1.000 2 i ? d Uiso  0.155(11)
C05K C  0.9850(15)  0.7191(15)  0.6278(5)  1.000 2 i ? d Uiso  0.092(6)
F05L F  0.810(2)  0.687(2)  0.5511(7)  1.000 2 i ? d Uiso  0.276(14)
C05O C  0.9417(14)  0.7489(14)  0.6077(5)  1.000 2 i ? d Uiso  0.083(6)
F05P F  1.330(2)  0.642(3)  0.6182(9)  1.000 2 i ? d Uiso  0.317(16)
C05S C  0.595(2)  0.410(2)  0.5379(8)  1.000 2 i ? d Uiso  0.157(12)
C05T C  0.624(3)  0.358(3)  0.5412(9)  1.000 2 i ? d Uiso  0.188(15)
C05U C  1.0826(16)  0.1935(16)  0.5861(6)  1.000 2 i ? d Uiso  0.107(7)
C05V C  1.147(2)  0.290(2)  0.5783(7)  1.000 2 i ? d Uiso  0.138(10)
C060 C  1.118(2)  1.014(2)  0.6637(9)  1.000 2 i ? d Uiso  0.180(13)


loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
La01 O00C . .  2.403(12) no
La01 O00D . .  2.496(11) no
La01 O00E . .  2.530(11) no
La01 O00F . .  2.592(13) no
La01 O00H . .  2.594(16) no
La01 O00I . .  2.497(11) no
La01 O00J . .  2.620(15) no
La01 O00K . .  2.499(12) no
La01 O00L . .  2.454(13) no
La02 O00G . .  2.428(12) no
La02 O00O . .  2.463(14) no
La02 O00Q . .  2.592(13) no
La02 O00R . .  2.537(14) no
La02 O01E . .  2.508(13) no
La02 O01S . .  2.503(15) no
La02 O026 . .  2.468(18) no
La02 O02N . .  2.594(14) no
La02 O04N . .  2.561(19) no
S003 C00N . .  1.710(16) no
S003 C00T . .  1.698(18) no
S004 C00U . .  1.664(16) no
S004 C00Y . .  1.729(18) no
S005 C01H . .  1.749(15) no
S005 C01Y . .  1.738(17) no
S006 C011 . .  1.730(18) no
S006 C02R . .  1.756(16) no
S007 C02U . .  1.737(17) no
S007 C03X . .  1.692(18) no
S008 C01R . .  1.685(16) no
S008 C025 . .  1.686(18) no
S009 C018 . .  1.674(18) no
S009 C02V . .  1.733(18) no
S00A C020 . .  1.672(18) no
S00A C031 . .  1.67(2) no
O00C C01P . .  1.33(2) no
O00D C010 . .  1.212(18) no
O00E C028 . .  1.24(2) no
O00F C02T . .  1.291(19) no
O00G C04B . .  1.191(19) no
O00H C02E . .  1.26(2) no
O00I C02P . .  1.37(2) no
O00J C027 . .  1.33(2) no
O00K C01C . .  1.219(19) no
O00L C03Q . .  1.34(2) no
F00M C045 . .  1.33(3) no
C00N C00S . .  1.37(2) no
C00N C019 . .  1.42(2) no
O00O C04Y . .  1.24(2) no
F00P C055 . .  1.23(2) no
O00Q C042 . .  1.21(3) no
O00R C02I . .  1.236(19) no
C00S C017 . .  1.49(2) no
C00T C015 . .  1.46(2) no
C00T C01A . .  1.41(2) no
C00U C014 . .  1.43(2) no
C00U C01Q . .  1.42(2) no
C00V C016 . .  1.40(2) no
C00V C022 . .  1.45(2) no
C00V C025 . .  1.258(19) no
F00W C03V . .  1.245(19) no
C00X C010 . .  1.57(2) no
C00X C01V . .  1.36(2) no
C00X C03C . .  1.41(2) no
C00Y C013 . .  1.27(2) no
C00Y C01W . .  1.59(3) no
F00Z C046 . .  1.34(2) no
C010 C01L . .  1.44(2) no
C011 C01O . .  1.36(2) no
C011 C01X . .  1.50(3) no
F012 C045 . .  1.41(2) no
C013 C014 . .  1.37(2) no
C013 C01U . .  1.53(2) no
C014 C04A . .  1.54(2) no
C016 C01R . .  1.31(2) no
C016 C033 . .  1.58(2) no
C017 C01P . .  1.49(3) no
C017 C02G . .  1.42(2) no
C018 C01M . .  1.41(2) no
C018 C04X . .  1.55(3) no
C019 C01A . .  1.47(2) no
C019 C03R . .  1.47(2) no
C01A C02O . .  1.43(2) no
F01B C047 . .  1.34(2) no
C01C C01Z . .  1.54(3) no
C01D C01M . .  1.44(2) no
C01D C02V . .  1.39(2) no
C01D C03N . .  1.50(2) no
O01E C05K . .  1.23(2) no
F01F C049 . .  1.43(3) no
F01G C03V . .  1.38(2) no
C01H C02C . .  1.48(2) no
C01H C037 . .  1.347(18) no
C01I C025 . .  1.47(2) no
C01I C03E . .  1.42(2) no
F01J C03O . .  1.34(2) no
C01K C02K . .  1.26(2) no
C01K C02U . .  1.44(2) no
C01L C02T . .  1.30(2) no
C01M C03A . .  1.37(2) no
F01N C053 . .  1.34(2) no
C01O C024 . .  1.47(2) no
C01O C02H . .  1.47(2) no
C01P C01Z . .  1.34(2) no
C01Q C048 . .  1.36(2) no
C01R C035 . .  1.59(2) no
O01S C04R . .  1.26(3) no
C01T C024 . .  1.34(2) no
C01T C02J . .  1.48(2) no
C01T C04M . .  1.41(2) no
C01U C02M . .  1.23(2) no
C01U C03O . .  1.44(3) no
C01V C02R . .  1.43(2) no
C01Y C03J . .  1.39(2) no
C01Y C03U . .  1.37(2) no
C020 C021 . .  1.31(2) no
C020 C03S . .  1.49(3) no
C021 C02F . .  1.44(2) no
C021 C043 . .  1.47(2) no
C022 C029 . .  1.35(2) no
C024 C047 . .  1.56(2) no
O026 C054 . .  1.27(3) no
C027 C02X . .  1.27(2) no
C027 C04Q . .  1.56(4) no
C028 C044 . .  1.41(3) no
C028 C04C . .  1.64(3) no
C029 C03E . .  1.38(2) no
F02A C046 . .  1.30(2) no
C02B C03J . .  1.39(2) no
C02B C03K . .  1.47(3) no
F02D C03Y . .  1.53(2) no
C02E C03H . .  1.44(3) no
C02E C05D . .  1.52(3) no
C02F C02M . .  1.55(3) no
C02F C031 . .  1.30(2) no
C02G C03R . .  1.37(2) no
C02H C02R . .  1.335(19) no
C02H C038 . .  1.39(2) no
C02I C02Z . .  1.54(3) no
C02I C036 . .  1.45(3) no
C02J C032 . .  1.48(2) no
C02J C03X . .  1.31(2) no
C02K C041 . .  1.39(2) no
C02K C04B . .  1.56(3) no
C02L C033 . .  1.25(2) no
C02L C037 . .  1.45(2) no
C02L C046 . .  1.52(2) no
C02M C053 . .  1.55(3) no
O02N C05E . .  1.26(2) no
C02O C03A . .  1.38(2) no
C02O C045 . .  1.51(3) no
C02P C02X . .  1.41(2) no
C02P C03E . .  1.52(3) no
F02Q C04M . .  1.25(2) no
C02T C04W . .  1.61(3) no
C02U C032 . .  1.38(2) no
C02V C039 . .  1.35(2) no
F02W C03O . .  1.27(3) no
F02Y C047 . .  1.24(2) no
C02Z C039 . .  1.35(2) no
C02Z C040 . .  1.36(2) no
F030 C03Y . .  1.40(2) no
C031 C04H . .  1.56(3) no
C032 C03T . .  1.35(2) no
C033 C03V . .  1.56(2) no
F034 C04W . .  1.43(3) no
C036 C04R . .  1.41(4) no
C037 C03J . .  1.49(2) no
C038 C03C . .  1.38(3) no
C03A C055 . .  1.56(3) no
F03B C049 . .  1.22(3) no
F03D C04E . .  1.21(4) no
F03F C055 . .  1.33(3) no
C03G C03K . .  1.43(2) no
C03G C03U . .  1.41(2) no
C03G C04Y . .  1.41(3) no
F03I C04W . .  1.22(3) no
F03L C04F . .  1.37(3) no
F03M C04W . .  1.19(2) no
C03N C040 . .  1.33(2) no
C03O C059 . .  1.37(3) no
F03P C04M . .  1.44(3) no
C03Q C044 . .  1.45(3) no
C03Q C048 . .  1.47(2) no
C03S C050 . .  1.47(3) no
C03T C041 . .  1.53(2) no
C03V C03Y . .  1.54(3) no
F03W C04C . .  1.29(3) no
C03X C04V . .  1.57(3) no
C03Y C046 . .  1.45(3) no
C03Z C048 . .  1.53(3) no
C03Z C04A . .  1.44(3) no
C042 C04P . .  1.48(4) no
C042 C05A . .  2.11(5) no
C043 C04K . .  1.34(3) no
C045 C049 . .  1.49(3) no
C047 C04F . .  1.56(3) no
C049 C055 . .  1.51(3) no
C04B C04S . .  1.34(3) no
C04C F04G . .  1.27(4) no
C04C F04O . .  1.20(3) no
F04D C05A . .  1.87(5) no
C04E F04L . .  1.31(4) no
C04F F04I . .  1.48(3) no
C04F C04M . .  1.33(3) no
F04J C059 . .  1.47(3) no
C04K C050 . .  1.44(3) no
O04N C04Z . .  1.27(3) no
C04P C04Y . .  1.55(3) no
C04Q F04U . .  1.26(4) no
C04Q F051 . .  1.22(3) no
C04Q F058 . .  1.36(3) no
C04S C054 . .  1.56(4) no
F04T C053 . .  1.28(3) no
C04Z C05I . .  1.57(4) no
C050 C05K . .  1.59(3) no
F052 C059 . .  1.37(3) no
C053 C059 . .  1.39(3) no
C054 C05T . .  1.91(4) no
C056 F057 . .  1.38(4) no
C056 C05E . .  1.59(4) no
C056 F05G . .  1.40(4) no
C056 F05L . .  1.09(4) no
C05A F05B . .  1.06(5) no
C05A F05P . .  1.23(5) no
C05C C060 . .  1.79(4) no
C05E C05O . .  1.33(3) no
C05H C05J . .  1.36(4) no
C05H C05S . .  2.03(5) no
C05H C05T . .  1.58(4) no
C05J C05S . .  1.59(4) no
C05J C05T . .  1.91(5) no
C05K C05O . .  1.37(3) no
C05S C05T . .  1.08(4) no
C05U C05V . .  1.59(3) no
C015 C04X . .  5.6790(341) no
C02C C035 . .  5.6285(242) no
C01H C01R . .  4.2997(187) no
La01 La02 . . 16.5989(18) no
C00T C018 . .  4.4282(290) no
C011 C03X . .  4.4337(212) no
C00Y C031 . .  4.2037(296) no
O00G O026 . .  2.6956(221) no

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O00C La01 O00D . . . 69.1(4) no
O00C La01 O00E . . . 133.3(4) no
O00C La01 O00F . . . 80.3(4) no
O00C La01 O00H . . . 141.6(4) no
O00C La01 O00I . . . 70.3(4) no
O00C La01 O00J . . . 135.0(4) no
O00C La01 O00K . . . 67.9(4) no
O00C La01 O00L . . . 76.6(4) no
O00D La01 O00E . . . 70.6(4) no
O00D La01 O00F . . . 63.9(4) no
O00D La01 O00H . . . 118.4(4) no
O00D La01 O00I . . . 128.6(4) no
O00D La01 O00J . . . 136.4(4) no
O00D La01 O00K . . . 120.9(4) no
O00E La01 O00F . . . 102.1(4) no
O00E La01 O00H . . . 79.4(4) no
O00E La01 O00J . . . 68.8(4) no
O00F La01 O00H . . . 72.0(4) no
O00F La01 O00J . . . 140.2(5) no
O00H La01 O00J . . . 68.3(5) no
O00I La01 O00E . . . 122.2(4) no
O00I La01 O00F . . . 135.7(4) no
O00I La01 O00H . . . 113.0(4) no
O00I La01 O00J . . . 65.7(4) no
O00I La01 O00K . . . 68.1(4) no
O00K La01 O00E . . . 157.4(4) no
O00K La01 O00F . . . 70.5(4) no
O00K La01 O00H . . . 77.9(4) no
O00K La01 O00J . . . 102.7(4) no
O00L La01 O00D . . . 70.6(4) no
O00L La01 O00E . . . 68.6(4) no
O00L La01 O00F . . . 133.9(4) no
O00L La01 O00H . . . 141.7(4) no
O00L La01 O00I . . . 70.5(4) no
O00L La01 O00J . . . 80.5(5) no
O00L La01 O00K . . . 132.2(4) no
O00G La02 O00O . . . 80.1(4) no
O00G La02 O00Q . . . 137.1(4) no
O00G La02 O00R . . . 69.6(4) no
O00G La02 O01E . . . 70.2(4) no
O00G La02 O01S . . . 136.6(5) no
O00G La02 O026 . . . 66.7(5) no
O00G La02 O02N . . . 79.7(4) no
O00G La02 O04N . . . 140.7(5) no
O00O La02 O00Q . . . 70.1(5) no
O00O La02 O00R . . . 66.2(5) no
O00O La02 O01E . . . 71.4(4) no
O00O La02 O01S . . . 83.6(5) no
O00O La02 O026 . . . 132.5(5) no
O00O La02 O02N . . . 137.6(5) no
O00O La02 O04N . . . 139.2(5) no
O00Q La02 O02N . . . 102.0(4) no
O00R La02 O00Q . . . 121.1(4) no
O00R La02 O02N . . . 136.9(4) no
O00R La02 O04N . . . 117.4(5) no
O01E La02 O00Q . . . 71.4(4) no
O01E La02 O00R . . . 125.1(5) no
O01E La02 O02N . . . 66.8(5) no
O01E La02 O04N . . . 117.5(5) no
O01S La02 O00Q . . . 70.7(5) no
O01S La02 O00R . . . 67.0(5) no
O01S La02 O01E . . . 139.8(5) no
O01S La02 O02N . . . 134.7(5) no
O01S La02 O04N . . . 64.4(5) no
O026 La02 O00Q . . . 154.6(6) no
O026 La02 O00R . . . 70.8(5) no
O026 La02 O01E . . . 122.5(5) no
O026 La02 O01S . . . 97.7(5) no
O026 La02 O02N . . . 69.6(5) no
O026 La02 O04N . . . 79.1(6) no
O04N La02 O00Q . . . 75.5(5) no
O04N La02 O02N . . . 70.5(5) no
C00T S003 C00N . . . 94.9(8) no
C00U S004 C00Y . . . 89.9(8) no
C01Y S005 C01H . . . 91.7(7) no
C011 S006 C02R . . . 89.9(8) no
C03X S007 C02U . . . 91.7(8) no
C01R S008 C025 . . . 86.3(8) no
C018 S009 C02V . . . 92.2(9) no
C031 S00A C020 . . . 89.0(9) no
C01P O00C La01 . . . 142.8(12) no
C010 O00D La01 . . . 126.4(10) no
C028 O00E La01 . . . 129.8(11) no
C02T O00F La01 . . . 123.2(12) no
C04B O00G La02 . . . 148.8(14) no
C02E O00H La01 . . . 133.8(14) no
C02P O00I La01 . . . 128.1(10) no
C027 O00J La01 . . . 126.6(14) no
C01C O00K La01 . . . 135.5(13) no
C03Q O00L La01 . . . 139.9(12) no
C00S C00N S003 . . . 127.4(12) no
C00S C00N C019 . . . 122.5(15) no
C019 C00N S003 . . . 109.9(13) no
C04Y O00O La02 . . . 143.3(14) no
C042 O00Q La02 . . . 130.5(17) no
C02I O00R La02 . . . 130.6(13) no
C00N C00S C017 . . . 117.4(13) no
C015 C00T S003 . . . 124.6(13) no
C01A C00T S003 . . . 111.7(14) no
C01A C00T C015 . . . 123.7(16) no
C014 C00U S004 . . . 108.7(13) no
C01Q C00U S004 . . . 127.5(13) no
C01Q C00U C014 . . . 123.6(15) no
C016 C00V C022 . . . 126.4(15) no
C025 C00V C016 . . . 111.5(16) no
C025 C00V C022 . . . 122.0(16) no
C01V C00X C010 . . . 125.3(14) no
C01V C00X C03C . . . 120.1(16) no
C03C C00X C010 . . . 114.6(14) no
C013 C00Y S004 . . . 117.0(16) no
C013 C00Y C01W . . . 124.2(18) no
C01W C00Y S004 . . . 118.4(13) no
O00D C010 C00X . . . 117.8(15) no
O00D C010 C01L . . . 126.6(17) no
C01L C010 C00X . . . 115.5(14) no
C01O C011 S006 . . . 111.6(14) no
C01O C011 C01X . . . 128.0(16) no
C01X C011 S006 . . . 120.4(13) no
C00Y C013 C014 . . . 109.6(17) no
C00Y C013 C01U . . . 126.0(18) no
C014 C013 C01U . . . 124.4(15) no
C00U C014 C04A . . . 117.4(16) no
C013 C014 C00U . . . 114.8(15) no
C013 C014 C04A . . . 127.8(16) no
C00V C016 C033 . . . 127.2(15) no
C01R C016 C00V . . . 110.0(15) no
C01R C016 C033 . . . 122.3(16) no
C01P C017 C00S . . . 114.8(14) no
C02G C017 C00S . . . 119.9(16) no
C02G C017 C01P . . . 124.7(16) no
C01M C018 S009 . . . 117.4(15) no
C01M C018 C04X . . . 122.0(17) no
C04X C018 S009 . . . 119.9(13) no
C00N C019 C01A . . . 112.3(15) no
C00N C019 C03R . . . 119.6(17) no
C01A C019 C03R . . . 127.8(16) no
C00T C01A C019 . . . 110.9(16) no
C00T C01A C02O . . . 125.5(18) no
C02O C01A C019 . . . 123.6(16) no
O00K C01C C01Z . . . 131.1(17) no
C01M C01D C03N . . . 126.1(15) no
C02V C01D C01M . . . 119.1(16) no
C02V C01D C03N . . . 114.8(16) no
C05K O01E La02 . . . 122.7(13) no
C02C C01H S005 . . . 121.5(12) no
C037 C01H S005 . . . 113.2(12) no
C037 C01H C02C . . . 125.0(14) no
C03E C01I C025 . . . 117.3(15) no
C02K C01K C02U . . . 114.5(15) no
C02T C01L C010 . . . 116.5(16) no
C018 C01M C01D . . . 103.7(14) no
C03A C01M C018 . . . 129.1(18) no
C03A C01M C01D . . . 127.2(16) no
C011 C01O C024 . . . 125.9(16) no
C011 C01O C02H . . . 114.5(14) no
C024 C01O C02H . . . 119.7(13) no
O00C C01P C017 . . . 113.6(16) no
O00C C01P C01Z . . . 126.(2) no
C01Z C01P C017 . . . 118.5(17) no
C048 C01Q C00U . . . 118.2(16) no
C016 C01R S008 . . . 115.4(14) no
C016 C01R C035 . . . 130.3(15) no
C035 C01R S008 . . . 114.3(12) no
C04R O01S La02 . . . 128.(2) no
C024 C01T C02J . . . 124.6(15) no
C024 C01T C04M . . . 110.2(16) no
C04M C01T C02J . . . 125.2(17) no
C02M C01U C013 . . . 126.1(18) no
C02M C01U C03O . . . 113.(2) no
C03O C01U C013 . . . 120.2(19) no
C00X C01V C02R . . . 116.8(14) no
C03J C01Y S005 . . . 111.6(14) no
C03U C01Y S005 . . . 125.7(12) no
C03U C01Y C03J . . . 122.5(16) no
C01P C01Z C01C . . . 115.8(17) no
C021 C020 S00A . . . 115.5(16) no
C021 C020 C03S . . . 125.7(18) no
C03S C020 S00A . . . 118.8(14) no
C020 C021 C02F . . . 109.2(16) no
C020 C021 C043 . . . 120.6(18) no
C02F C021 C043 . . . 130.2(16) no
C029 C022 C00V . . . 118.2(16) no
C01O C024 C047 . . . 113.2(15) no
C01T C024 C01O . . . 132.8(14) no
C01T C024 C047 . . . 113.9(15) no
C00V C025 S008 . . . 116.7(15) no
C00V C025 C01I . . . 121.0(17) no
C01I C025 S008 . . . 122.3(12) no
C054 O026 La02 . . . 139.2(19) no
O00J C027 C04Q . . . 108.(2) no
C02X C027 O00J . . . 132.(2) no
C02X C027 C04Q . . . 118.(2) no
O00E C028 C044 . . . 135.2(18) no
O00E C028 C04C . . . 109.9(19) no
C044 C028 C04C . . . 114.(2) no
C022 C029 C03E . . . 122.6(19) no
C03J C02B C03K . . . 115.8(15) no
O00H C02E C03H . . . 124.6(19) no
O00H C02E C05D . . . 114.6(17) no
C03H C02E C05D . . . 121.(2) no
C021 C02F C02M . . . 122.9(15) no
C031 C02F C021 . . . 111.2(17) no
C031 C02F C02M . . . 125.8(18) no
C03R C02G C017 . . . 121.4(17) no
C02R C02H C01O . . . 108.6(13) no
C02R C02H C038 . . . 118.3(16) no
C038 C02H C01O . . . 132.2(15) no
O00R C02I C02Z . . . 116.6(16) no
O00R C02I C036 . . . 129.(2) no
C036 C02I C02Z . . . 114.7(18) no
C032 C02J C01T . . . 123.9(15) no
C03X C02J C01T . . . 124.0(17) no
C03X C02J C032 . . . 110.8(15) no
C01K C02K C041 . . . 132.2(18) no
C01K C02K C04B . . . 110.8(16) no
C041 C02K C04B . . . 116.0(16) no
C033 C02L C037 . . . 133.9(15) no
C033 C02L C046 . . . 108.4(15) no
C037 C02L C046 . . . 117.7(15) no
C01U C02M C02F . . . 132.(2) no
C01U C02M C053 . . . 111.8(19) no
C02F C02M C053 . . . 115.7(18) no
C05E O02N La02 . . . 124.4(15) no
C01A C02O C045 . . . 121.6(16) no
C03A C02O C01A . . . 128.8(15) no
C03A C02O C045 . . . 109.1(16) no
O00I C02P C02X . . . 124.2(18) no
O00I C02P C03E . . . 109.6(15) no
C02X C02P C03E . . . 125.3(18) no
C01V C02R S006 . . . 121.0(12) no
C02H C02R S006 . . . 115.2(13) no
C02H C02R C01V . . . 123.3(15) no
O00F C02T C01L . . . 133.1(18) no
O00F C02T C04W . . . 106.0(17) no
C01L C02T C04W . . . 120.9(18) no
C01K C02U S007 . . . 127.3(12) no
C032 C02U S007 . . . 110.3(13) no
C032 C02U C01K . . . 122.2(15) no
C01D C02V S009 . . . 107.4(14) no
C039 C02V S009 . . . 127.7(13) no
C039 C02V C01D . . . 124.9(17) no
C027 C02X C02P . . . 122.(2) no
C039 C02Z C02I . . . 122.6(17) no
C039 C02Z C040 . . . 121.4(19) no
C040 C02Z C02I . . . 116.0(17) no
C02F C031 S00A . . . 114.9(16) no
C02F C031 C04H . . . 123.5(18) no
C04H C031 S00A . . . 121.3(13) no
C02U C032 C02J . . . 111.8(15) no
C03T C032 C02J . . . 128.5(15) no
C03T C032 C02U . . . 119.7(17) no
C02L C033 C016 . . . 124.7(14) no
C02L C033 C03V . . . 121.2(15) no
C03V C033 C016 . . . 114.0(15) no
C04R C036 C02I . . . 114.(2) no
C01H C037 C02L . . . 122.2(15) no
C01H C037 C03J . . . 111.6(13) no
C02L C037 C03J . . . 126.1(13) no
C03C C038 C02H . . . 120.3(17) no
C02V C039 C02Z . . . 117.8(16) no
C01M C03A C02O . . . 129.4(16) no
C01M C03A C055 . . . 118.8(16) no
C02O C03A C055 . . . 111.0(15) no
C038 C03C C00X . . . 120.1(17) no
C01I C03E C02P . . . 116.1(16) no
C029 C03E C01I . . . 118.1(18) no
C029 C03E C02P . . . 124.9(18) no
C03U C03G C03K . . . 118.9(19) no
C04Y C03G C03K . . . 124.5(18) no
C04Y C03G C03U . . . 115.7(17) no
C01Y C03J C037 . . . 111.8(14) no
C02B C03J C01Y . . . 122.2(17) no
C02B C03J C037 . . . 125.8(15) no
C03G C03K C02B . . . 120.9(17) no
C040 C03N C01D . . . 117.3(15) no
F01J C03O C01U . . . 117.(2) no
F01J C03O C059 . . . 113.(2) no
F02W C03O F01J . . . 88.(2) no
F02W C03O C01U . . . 115.(2) no
F02W C03O C059 . . . 125.(3) no
C059 C03O C01U . . . 100.(2) no
O00L C03Q C044 . . . 121.3(18) no
O00L C03Q C048 . . . 113.1(15) no
C044 C03Q C048 . . . 125.6(17) no
C02G C03R C019 . . . 118.8(16) no
C050 C03S C020 . . . 110.9(18) no
C032 C03T C041 . . . 120.7(15) no
C01Y C03U C03G . . . 119.3(16) no
F00W C03V F01G . . . 123.2(19) no
F00W C03V C033 . . . 109.3(16) no
F00W C03V C03Y . . . 116.8(17) no
F01G C03V C033 . . . 108.6(15) no
F01G C03V C03Y . . . 102.4(16) no
C03Y C03V C033 . . . 91.9(14) no
C02J C03X S007 . . . 115.3(16) no
C02J C03X C04V . . . 125.9(16) no
C04V C03X S007 . . . 118.7(13) no
F02D C03Y C03V . . . 104.0(16) no
F030 C03Y F02D . . . 89.9(14) no
F030 C03Y C03V . . . 119.6(18) no
F030 C03Y C046 . . . 118.5(18) no
C046 C03Y F02D . . . 99.8(19) no
C046 C03Y C03V . . . 116.4(16) no
C04A C03Z C048 . . . 115.1(18) no
C03N C040 C02Z . . . 123.8(17) no
C02K C041 C03T . . . 110.5(16) no
O00Q C042 C04P . . . 133.(3) no
O00Q C042 C05A . . . 90.(2) no
C04P C042 C05A . . . 135.(2) no
C04K C043 C021 . . . 119.0(17) no
C028 C044 C03Q . . . 119.2(18) no
F00M C045 F012 . . . 107.2(17) no
F00M C045 C02O . . . 113.(2) no
F00M C045 C049 . . . 117.(2) no
F012 C045 C02O . . . 108.6(17) no
F012 C045 C049 . . . 105.(2) no
C049 C045 C02O . . . 106.(2) no
F00Z C046 C02L . . . 109.7(16) no
F00Z C046 C03Y . . . 108.0(19) no
F02A C046 F00Z . . . 98.7(19) no
F02A C046 C02L . . . 121.(2) no
F02A C046 C03Y . . . 116.5(19) no
C03Y C046 C02L . . . 102.0(18) no
F01B C047 C024 . . . 111.8(17) no
F01B C047 C04F . . . 109.3(19) no
F02Y C047 F01B . . . 112.3(19) no
F02Y C047 C024 . . . 117.0(18) no
F02Y C047 C04F . . . 112.(2) no
C04F C047 C024 . . . 93.0(16) no
C01Q C048 C03Q . . . 118.1(16) no
C01Q C048 C03Z . . . 125.0(18) no
C03Q C048 C03Z . . . 116.7(16) no
F01F C049 C045 . . . 101.(2) no
F01F C049 C055 . . . 101.(2) no
F03B C049 F01F . . . 95.(3) no
F03B C049 C045 . . . 119.(3) no
F03B C049 C055 . . . 125.(3) no
C045 C049 C055 . . . 109.(2) no
C03Z C04A C014 . . . 120.2(17) no
O00G C04B C02K . . . 124.8(19) no
O00G C04B C04S . . . 119.(2) no
C04S C04B C02K . . . 116.(2) no
F03W C04C C028 . . . 107.(2) no
F04G C04C C028 . . . 103.(2) no
F04G C04C F03W . . . 101.(3) no
F04O C04C C028 . . . 114.(3) no
F04O C04C F03W . . . 115.(3) no
F04O C04C F04G . . . 115.(3) no
F03D C04E F04L . . . 144.(4) no
F03L C04F C047 . . . 108.(2) no
F03L C04F F04I . . . 82.4(18) no
F04I C04F C047 . . . 110.(2) no
C04M C04F F03L . . . 122.(3) no
C04M C04F C047 . . . 116.(2) no
C04M C04F F04I . . . 113.(2) no
C043 C04K C050 . . . 120.7(18) no
C01T C04M F03P . . . 112.1(18) no
F02Q C04M C01T . . . 111.6(19) no
F02Q C04M F03P . . . 104.(2) no
F02Q C04M C04F . . . 118.(2) no
C04F C04M C01T . . . 107.(2) no
C04F C04M F03P . . . 104.(2) no
C04Z O04N La02 . . . 141.(2) no
C042 C04P C04Y . . . 119.(2) no
F04U C04Q C027 . . . 121.(3) no
F04U C04Q F058 . . . 96.(3) no
F051 C04Q C027 . . . 106.(3) no
F051 C04Q F04U . . . 131.(4) no
F051 C04Q F058 . . . 92.(3) no
F058 C04Q C027 . . . 99.(2) no
O01S C04R C036 . . . 135.(3) no
C04B C04S C054 . . . 126.(2) no
F034 C04W C02T . . . 106.(2) no
F03I C04W C02T . . . 112.(2) no
F03I C04W F034 . . . 111.(2) no
F03M C04W C02T . . . 112.(2) no
F03M C04W F034 . . . 109.(2) no
F03M C04W F03I . . . 107.(3) no
O00O C04Y C03G . . . 121.9(19) no
O00O C04Y C04P . . . 120.(2) no
C03G C04Y C04P . . . 117.8(19) no
O04N C04Z C05I . . . 115.(3) no
C03S C050 C05K . . . 118.7(19) no
C04K C050 C03S . . . 123.(2) no
C04K C050 C05K . . . 118.2(19) no
F01N C053 C02M . . . 113.7(17) no
F01N C053 C059 . . . 115.(2) no
F04T C053 F01N . . . 116.(2) no
F04T C053 C02M . . . 114.(2) no
F04T C053 C059 . . . 101.(2) no
C059 C053 C02M . . . 95.(2) no
O026 C054 C04S . . . 119.(2) no
O026 C054 C05T . . . 133.(3) no
C04S C054 C05T . . . 108.(2) no
F00P C055 C03A . . . 115.8(18) no
F00P C055 F03F . . . 112.(2) no
F00P C055 C049 . . . 115.(2) no
F03F C055 C03A . . . 106.0(18) no
F03F C055 C049 . . . 104.(2) no
C049 C055 C03A . . . 102.9(19) no
F057 C056 C05E . . . 110.(3) no
F057 C056 F05G . . . 82.(3) no
F05G C056 C05E . . . 104.(3) no
F05L C056 F057 . . . 123.(4) no
F05L C056 C05E . . . 109.(4) no
F05L C056 F05G . . . 126.(5) no
C03O C059 F04J . . . 98.(2) no
C03O C059 C053 . . . 118.(3) no
F052 C059 C03O . . . 117.(3) no
F052 C059 F04J . . . 81.(2) no
F052 C059 C053 . . . 121.(3) no
C053 C059 F04J . . . 108.(2) no
F04D C05A C042 . . . 67.5(17) no
F05B C05A C042 . . . 85.(4) no
F05B C05A F04D . . . 88.(4) no
F05B C05A F05P . . . 148.(6) no
F05P C05A C042 . . . 68.(3) no
F05P C05A F04D . . . 66.(3) no
O02N C05E C056 . . . 110.(2) no
O02N C05E C05O . . . 133.(2) no
C05O C05E C056 . . . 117.(2) no
C05J C05H C05S . . . 51.5(19) no
C05J C05H C05T . . . 81.(3) no
C05T C05H C05S . . . 31.9(17) no
C05H C05J C05S . . . 86.(3) no
C05H C05J C05T . . . 55.(2) no
C05S C05J C05T . . . 34.4(16) no
O01E C05K C050 . . . 111.4(19) no
O01E C05K C05O . . . 131.(2) no
C05O C05K C050 . . . 117.1(19) no
C05E C05O C05K . . . 118.(2) no
C05J C05S C05H . . . 42.0(15) no
C05T C05S C05H . . . 50.(3) no
C05T C05S C05J . . . 89.(4) no
C05H C05T C054 . . . 77.(2) no
C05H C05T C05J . . . 44.6(17) no
C05J C05T C054 . . . 70.4(19) no
C05S C05T C054 . . . 97.(4) no
C05S C05T C05H . . . 98.(4) no
C05S C05T C05J . . . 56.(3) no

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C016 C01R C037 C01H . . . . 70.69(154) no
C01R C016 C037 C01H . . . . -113.76(148) no
