#------------------------------------------------------------------------------
#$Date: 2016-03-21 08:03:08 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178592 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/03/4070321.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4070321
loop_
_publ_author_name
'Dietrich, H. Martin'
'Törnroos, Karl W.'
'Herdtweck, Eberhardt'
'Anwander, Reiner'
_publ_section_title
;
 Tetramethylaluminate and Tetramethylgallate Coordination in Rare-Earth
 Metal Half-Sandwich and Metallocene Complexes
;
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              6739
_journal_paper_doi               10.1021/om9007168
_journal_volume                  28
_journal_year                    2009
_chemical_formula_moiety         'C48 H84 Ga2 Y2, 2(C7 H8)'
_chemical_formula_sum            'C62 H100 Ga2 Y2'
_chemical_formula_weight         1162.68
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                103.420(1)
_cell_angle_beta                 105.644(1)
_cell_angle_gamma                90.633(1)
_cell_formula_units_Z            2
_cell_length_a                   12.2152(6)
_cell_length_b                   13.9753(6)
_cell_length_c                   18.9397(9)
_cell_measurement_temperature    103(2)
_cell_measurement_theta_max      25.03
_cell_measurement_theta_min      2.206
_cell_volume                     3019.1(2)
_computing_cell_refinement
;
Bruker (2004). SAINT, version 6.45a, Bruker AXS Inc., Madison, 
Wisconsin, USA.
;
_computing_data_collection
;
Bruker (1999). SMART, version 5.054, APEX2, Bruker AXS Inc., 
Madison, Wisconsin, USA. 
;
_computing_data_reduction
;
Bruker (2004). SAINT, version 6.45a, Bruker AXS Inc., Madison, 
Wisconsin, USA.
;
_computing_molecular_graphics
;
Brandenburg, K. (2007). DIAMOND. Version 3.1. Crystal Impact GbR, Bonn, 
Germany.
;
_computing_publication_material
;
Bruker AXS (2003). SHELXTL. Version 6.14. Bruker AXS Inc., Madison, 
Wisconsin, USA.
;
_computing_structure_refinement
;
Sheldrick, G. M. (2008). Acta Crystallographica, A64, 112-122.
;
_computing_structure_solution
;     
Sheldrick, G. M. (2008). Acta Crystallographica, A64, 112-122.
;
_diffrn_ambient_temperature      103(2)
_diffrn_detector_area_resol_mean '48 \um'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker TXS APEX-II CCD'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0483
_diffrn_reflns_av_sigmaI/netI    0.0535
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            34785
_diffrn_reflns_theta_full        25.04
_diffrn_reflns_theta_max         25.04
_diffrn_reflns_theta_min         1.74
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.820
_exptl_absorpt_correction_T_max  0.3804
_exptl_absorpt_correction_T_min  0.2969
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS version 2008/1, G.M Sheldrick, University of 
Gẗtingen, Germany, 2008.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.279
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'irregular prism'
_exptl_crystal_F_000             1224
_exptl_crystal_size_max          0.61
_exptl_crystal_size_mid          0.48
_exptl_crystal_size_min          0.38
_refine_diff_density_max         1.169
_refine_diff_density_min         -1.198
_refine_diff_density_rms         0.135
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.120
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     532
_refine_ls_number_reflns         10667
_refine_ls_number_restraints     20
_refine_ls_restrained_S_all      1.121
_refine_ls_R_factor_all          0.0963
_refine_ls_R_factor_gt           0.0755
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0493P)²+30.2417P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1758
_refine_ls_wR_factor_ref         0.1842
_reflns_number_gt                8359
_reflns_number_total             10667
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            om9007168_si_002.cif
_cod_data_source_block           Compound5a
_cod_database_code               4070321
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Y1 Y 0.94542(6) 0.68237(5) 0.39324(4) 0.02060(18) Uani 1 1 d . . .
Ga1 Ga 1.25959(7) 0.52844(7) 0.51623(5) 0.0308(2) Uani 1 1 d . . .
C1 C 1.1275(6) 0.6015(5) 0.4650(4) 0.0242(16) Uani 1 1 d . A .
H1A H 1.0955 0.6413 0.5034 0.036 Uiso 1 1 calc R . .
H1B H 1.0681 0.5533 0.4284 0.036 Uiso 1 1 calc R . .
H1C H 1.1559 0.6446 0.4387 0.036 Uiso 1 1 calc R . .
Y2 Y 0.33738(6) 0.09655(5) 0.12429(4) 0.02107(18) Uani 1 1 d . . .
Ga2 Ga 0.28775(8) -0.14145(8) -0.10726(5) 0.0388(3) Uani 1 1 d . . .
C2 C 1.3648(7) 0.6256(6) 0.6030(5) 0.036(2) Uani 1 1 d . A .
H2A H 1.4283 0.5919 0.6279 0.053 Uiso 1 1 calc R . .
H2B H 1.3232 0.6552 0.6392 0.053 Uiso 1 1 calc R . .
H2C H 1.3945 0.6774 0.5844 0.053 Uiso 1 1 calc R . .
C3 C 1.3246(7) 0.4471(6) 0.4375(5) 0.0348(19) Uani 1 1 d . A .
H3A H 1.3875 0.4123 0.4618 0.052 Uiso 1 1 calc R . .
H3B H 1.3530 0.4903 0.4112 0.052 Uiso 1 1 calc R . .
H3C H 1.2651 0.3990 0.4010 0.052 Uiso 1 1 calc R . .
C4 C 1.1742(6) 0.4340(5) 0.5567(4) 0.0237(16) Uani 1 1 d . . .
H4A H 1.2288 0.3941 0.5829 0.036 Uiso 1 1 calc R . .
H4B H 1.1172 0.3904 0.5143 0.036 Uiso 1 1 calc R . .
H4C H 1.1360 0.4726 0.5919 0.036 Uiso 1 1 calc R . .
C5 C 0.8918(6) 0.8766(6) 0.4236(4) 0.027(3) Uani 0.521(5) 1 d PG A 1
C6 C 1.0126(6) 0.8819(5) 0.4474(4) 0.027(3) Uani 0.521(5) 1 d PG A 1
C7 C 1.0458(6) 0.8425(5) 0.5118(4) 0.023(3) Uani 0.521(5) 1 d PG A 1
C8 C 0.9457(6) 0.8128(5) 0.5278(4) 0.024(3) Uani 0.521(5) 1 d PG A 1
C9 C 0.8505(6) 0.8339(5) 0.4733(4) 0.028(4) Uani 0.521(5) 1 d PG A 1
C10 C 0.8200(9) 0.9104(9) 0.3571(6) 0.064(4) Uani 0.521(5) 1 d PG A 1
H10A H 0.8055 0.9797 0.3736 0.095 Uiso 0.521(5) 1 calc PR A 1
H10B H 0.7473 0.8699 0.3362 0.095 Uiso 0.521(5) 1 calc PR A 1
H10C H 0.8605 0.9036 0.3182 0.095 Uiso 0.521(5) 1 calc PR A 1
C11 C 1.0917(10) 0.9223(9) 0.4107(7) 0.063(4) Uani 0.521(5) 1 d PG A 1
H11A H 1.1103 0.9930 0.4338 0.094 Uiso 0.521(5) 1 calc PR A 1
H11B H 1.0543 0.9123 0.3565 0.094 Uiso 0.521(5) 1 calc PR A 1
H11C H 1.1618 0.8879 0.4178 0.094 Uiso 0.521(5) 1 calc PR A 1
C12 C 1.1665(8) 0.8336(8) 0.5557(7) 0.058(4) Uani 0.521(5) 1 d PG A 1
H12A H 1.1938 0.8936 0.5962 0.088 Uiso 0.521(5) 1 calc PR A 1
H12B H 1.2155 0.8251 0.5217 0.088 Uiso 0.521(5) 1 calc PR A 1
H12C H 1.1688 0.7764 0.5776 0.088 Uiso 0.521(5) 1 calc PR A 1
C13 C 0.9412(10) 0.7669(9) 0.5916(6) 0.062(4) Uani 0.521(5) 1 d PG A 1
H13A H 0.9415 0.8190 0.6364 0.093 Uiso 0.521(5) 1 calc PR A 1
H13B H 1.0077 0.7288 0.6034 0.093 Uiso 0.521(5) 1 calc PR A 1
H13C H 0.8714 0.7231 0.5766 0.093 Uiso 0.521(5) 1 calc PR A 1
C14 C 0.7270(9) 0.8144(9) 0.4689(7) 0.054(4) Uani 0.521(5) 1 d PG A 1
H14A H 0.7016 0.8720 0.4991 0.082 Uiso 0.521(5) 1 calc PR A 1
H14B H 0.7184 0.7566 0.4886 0.082 Uiso 0.521(5) 1 calc PR A 1
H14C H 0.6808 0.8018 0.4162 0.082 Uiso 0.521(5) 1 calc PR A 1
C6B C 0.8516(7) 0.8499(6) 0.4284(5) 0.027(3) Uani 0.479(5) 1 d PG A 2
C5B C 0.9531(7) 0.8735(6) 0.4117(5) 0.027(3) Uani 0.479(5) 1 d PG A 2
C7B C 1.0460(6) 0.8534(6) 0.4680(5) 0.023(3) Uani 0.479(5) 1 d PG A 2
C8B C 1.0020(7) 0.8174(6) 0.5194(4) 0.024(3) Uani 0.479(5) 1 d PG A 2
C9B C 0.8818(7) 0.8153(6) 0.4950(5) 0.028(4) Uani 0.479(5) 1 d PG A 2
C10B C 0.7326(10) 0.8599(10) 0.3833(7) 0.064(4) Uani 0.479(5) 1 d PG A 2
H10D H 0.7094 0.9255 0.4027 0.095 Uiso 0.479(5) 1 calc PR A 2
H10E H 0.6803 0.8094 0.3878 0.095 Uiso 0.479(5) 1 calc PR A 2
H10F H 0.7303 0.8514 0.3301 0.095 Uiso 0.479(5) 1 calc PR A 2
C11B C 0.9609(11) 0.9129(10) 0.3458(7) 0.063(4) Uani 0.479(5) 1 d PG A 2
H11D H 0.9630 0.9851 0.3597 0.094 Uiso 0.479(5) 1 calc PR A 2
H11E H 0.8942 0.8866 0.3027 0.094 Uiso 0.479(5) 1 calc PR A 2
H11F H 1.0305 0.8928 0.3321 0.094 Uiso 0.479(5) 1 calc PR A 2
C12B C 1.1699(9) 0.8678(9) 0.4723(7) 0.058(4) Uani 0.479(5) 1 d PG A 2
H12D H 1.1997 0.9348 0.5016 0.088 Uiso 0.479(5) 1 calc PR A 2
H12E H 1.1783 0.8580 0.4212 0.088 Uiso 0.479(5) 1 calc PR A 2
H12F H 1.2125 0.8198 0.4971 0.088 Uiso 0.479(5) 1 calc PR A 2
C13B C 1.0708(11) 0.7869(10) 0.5881(6) 0.062(4) Uani 0.479(5) 1 d PG A 2
H13D H 1.0870 0.8435 0.6320 0.093 Uiso 0.479(5) 1 calc PR A 2
H13E H 1.1427 0.7635 0.5797 0.093 Uiso 0.479(5) 1 calc PR A 2
H13F H 1.0276 0.7337 0.5972 0.093 Uiso 0.479(5) 1 calc PR A 2
C14B C 0.8005(10) 0.7820(10) 0.5330(7) 0.054(4) Uani 0.479(5) 1 d PG A 2
H14D H 0.7843 0.8388 0.5691 0.082 Uiso 0.479(5) 1 calc PR A 2
H14E H 0.8348 0.7329 0.5600 0.082 Uiso 0.479(5) 1 calc PR A 2
H14F H 0.7294 0.7527 0.4949 0.082 Uiso 0.479(5) 1 calc PR A 2
C15 C 0.9611(8) 0.6754(7) 0.2554(5) 0.043(2) Uani 1 1 d . A .
C16 C 1.0141(7) 0.5933(7) 0.2753(5) 0.040(2) Uani 1 1 d . A .
C17 C 0.9316(7) 0.5264(6) 0.2790(4) 0.0317(18) Uani 1 1 d . A .
C18 C 0.8248(6) 0.5669(6) 0.2617(4) 0.0257(16) Uani 1 1 d . A .
C19 C 0.8428(7) 0.6603(6) 0.2482(4) 0.0319(18) Uani 1 1 d . A .
C20 C 1.0173(11) 0.7552(9) 0.2321(6) 0.072(4) Uani 1 1 d . . .
H20A H 1.0113 0.7342 0.1780 0.108 Uiso 1 1 calc R A .
H20B H 1.0979 0.7669 0.2611 0.108 Uiso 1 1 calc R . .
H20C H 0.9792 0.8162 0.2421 0.108 Uiso 1 1 calc R . .
C21 C 1.1411(8) 0.5771(11) 0.2831(6) 0.073(4) Uani 1 1 d . . .
H21A H 1.1503 0.5431 0.2339 0.110 Uiso 1 1 calc R A .
H21B H 1.1680 0.5369 0.3195 0.110 Uiso 1 1 calc R . .
H21C H 1.1858 0.6411 0.3010 0.110 Uiso 1 1 calc R . .
C22 C 0.9502(9) 0.4240(7) 0.2912(5) 0.049(3) Uani 1 1 d . . .
H22A H 0.9415 0.3771 0.2423 0.074 Uiso 1 1 calc R A .
H22B H 0.8940 0.4051 0.3149 0.074 Uiso 1 1 calc R . .
H22C H 1.0272 0.4235 0.3241 0.074 Uiso 1 1 calc R . .
C23 C 0.7111(7) 0.5180(7) 0.2537(5) 0.038(2) Uani 1 1 d . . .
H23A H 0.6797 0.4785 0.2017 0.057 Uiso 1 1 calc R A .
H23B H 0.6592 0.5684 0.2653 0.057 Uiso 1 1 calc R . .
H23C H 0.7199 0.4750 0.2887 0.057 Uiso 1 1 calc R . .
C24 C 0.7502(9) 0.7192(7) 0.2150(5) 0.049(3) Uani 1 1 d . . .
H24A H 0.7277 0.6961 0.1598 0.073 Uiso 1 1 calc R A .
H24B H 0.7777 0.7890 0.2297 0.073 Uiso 1 1 calc R . .
H24C H 0.6842 0.7110 0.2338 0.073 Uiso 1 1 calc R . .
C25 C 0.3007(6) -0.0388(6) -0.0078(4) 0.0243(16) Uani 1 1 d . . .
H25A H 0.3549 -0.0586 0.0338 0.036 Uiso 1 1 calc R . .
H25B H 0.2257 -0.0345 0.0019 0.036 Uiso 1 1 calc R . .
H25C H 0.3275 0.0257 -0.0115 0.036 Uiso 1 1 calc R . .
C26 C 0.1780(7) -0.1061(9) -0.1952(5) 0.058(3) Uani 1 1 d . . .
H26A H 0.1743 -0.1566 -0.2415 0.086 Uiso 1 1 calc R . .
H26B H 0.2038 -0.0420 -0.2002 0.086 Uiso 1 1 calc R . .
H26C H 0.1022 -0.1025 -0.1869 0.086 Uiso 1 1 calc R . .
C27 C 0.2610(8) -0.2761(7) -0.0928(6) 0.047(2) Uani 1 1 d . . .
H27A H 0.2548 -0.3255 -0.1401 0.071 Uiso 1 1 calc R . .
H27B H 0.1901 -0.2800 -0.0783 0.071 Uiso 1 1 calc R . .
H27C H 0.3249 -0.2888 -0.0528 0.071 Uiso 1 1 calc R . .
C28 C 0.4507(6) -0.1246(6) -0.1168(4) 0.0254(16) Uani 1 1 d . . .
H28A H 0.4572 -0.1703 -0.1631 0.038 Uiso 1 1 calc R . .
H28B H 0.5057 -0.1388 -0.0730 0.038 Uiso 1 1 calc R . .
H28C H 0.4668 -0.0566 -0.1190 0.038 Uiso 1 1 calc R . .
C29 C 0.2951(6) -0.0619(6) 0.1704(4) 0.0286(17) Uani 1 1 d . . .
C30 C 0.2588(6) 0.0196(6) 0.2169(4) 0.0280(17) Uani 1 1 d . . .
C31 C 0.3572(7) 0.0819(6) 0.2630(4) 0.0292(17) Uani 1 1 d . . .
C32 C 0.4530(6) 0.0388(6) 0.2447(4) 0.0287(17) Uani 1 1 d . . .
C33 C 0.4169(6) -0.0491(6) 0.1875(4) 0.0297(18) Uani 1 1 d . . .
C34 C 0.2212(8) -0.1510(7) 0.1190(5) 0.045(2) Uani 1 1 d . . .
H34A H 0.2172 -0.2005 0.1475 0.067 Uiso 1 1 calc R . .
H34B H 0.2538 -0.1787 0.0774 0.067 Uiso 1 1 calc R . .
H34C H 0.1444 -0.1319 0.0984 0.067 Uiso 1 1 calc R . .
C35 C 0.1413(7) 0.0266(8) 0.2269(5) 0.048(2) Uani 1 1 d . . .
H35A H 0.1344 -0.0084 0.2649 0.071 Uiso 1 1 calc R . .
H35B H 0.0849 -0.0032 0.1787 0.071 Uiso 1 1 calc R . .
H35C H 0.1278 0.0962 0.2437 0.071 Uiso 1 1 calc R . .
C36 C 0.3633(8) 0.1673(7) 0.3298(4) 0.042(2) Uani 1 1 d . . .
H36A H 0.3708 0.1426 0.3751 0.063 Uiso 1 1 calc R . .
H36B H 0.2936 0.2020 0.3199 0.063 Uiso 1 1 calc R . .
H36C H 0.4295 0.2129 0.3378 0.063 Uiso 1 1 calc R . .
C37 C 0.5759(7) 0.0756(8) 0.2880(5) 0.041(2) Uani 1 1 d . . .
H37A H 0.6012 0.0444 0.3303 0.062 Uiso 1 1 calc R . .
H37B H 0.5811 0.1474 0.3074 0.062 Uiso 1 1 calc R . .
H37C H 0.6247 0.0587 0.2541 0.062 Uiso 1 1 calc R . .
C38 C 0.4923(8) -0.1227(7) 0.1564(5) 0.039(2) Uani 1 1 d . . .
H38A H 0.5114 -0.1700 0.1879 0.058 Uiso 1 1 calc R . .
H38B H 0.5624 -0.0878 0.1565 0.058 Uiso 1 1 calc R . .
H38C H 0.4518 -0.1579 0.1045 0.058 Uiso 1 1 calc R . .
C39 C 0.3209(8) 0.2853(7) 0.1346(6) 0.057(3) Uani 1 1 d . . .
C40 C 0.2208(10) 0.2514(8) 0.1502(5) 0.052(3) Uani 1 1 d . . .
C41 C 0.1538(7) 0.1908(8) 0.0849(6) 0.048(2) Uani 1 1 d . . .
C42 C 0.2036(8) 0.1855(7) 0.0274(5) 0.042(2) Uani 1 1 d . . .
C43 C 0.3069(8) 0.2426(7) 0.0558(6) 0.043(2) Uani 1 1 d . . .
C44 C 0.4142(14) 0.3587(9) 0.1872(10) 0.133(9) Uani 1 1 d . . .
H44A H 0.3937 0.4255 0.1841 0.200 Uiso 1 1 calc R . .
H44B H 0.4851 0.3463 0.1730 0.200 Uiso 1 1 calc R . .
H44C H 0.4249 0.3524 0.2391 0.200 Uiso 1 1 calc R . .
C45 C 0.1845(16) 0.2926(12) 0.2205(7) 0.117(7) Uani 1 1 d . . .
H45A H 0.1420 0.3507 0.2146 0.176 Uiso 1 1 calc R . .
H45B H 0.2521 0.3115 0.2642 0.176 Uiso 1 1 calc R . .
H45C H 0.1356 0.2423 0.2286 0.176 Uiso 1 1 calc R . .
C46 C 0.0329(10) 0.1489(13) 0.0729(10) 0.106(6) Uani 1 1 d . . .
H46A H -0.0210 0.1972 0.0586 0.159 Uiso 1 1 calc R . .
H46B H 0.0259 0.1346 0.1198 0.159 Uiso 1 1 calc R . .
H46C H 0.0160 0.0880 0.0326 0.159 Uiso 1 1 calc R . .
C47 C 0.1461(12) 0.1383(10) -0.0558(6) 0.085(5) Uani 1 1 d . . .
H47A H 0.1013 0.1864 -0.0790 0.127 Uiso 1 1 calc R . .
H47B H 0.0957 0.0809 -0.0601 0.127 Uiso 1 1 calc R . .
H47C H 0.2044 0.1173 -0.0817 0.127 Uiso 1 1 calc R . .
C48 C 0.3828(12) 0.2650(12) 0.0102(10) 0.107(6) Uani 1 1 d . . .
H48A H 0.3570 0.3219 -0.0101 0.161 Uiso 1 1 calc R . .
H48B H 0.3796 0.2076 -0.0317 0.161 Uiso 1 1 calc R . .
H48C H 0.4615 0.2802 0.0425 0.161 Uiso 1 1 calc R . .
C1S C 0.4123(6) 0.8358(6) 0.3865(6) 0.089(5) Uani 1 1 d GD . .
C2S C 0.4120(7) 0.7865(8) 0.3137(5) 0.072(4) Uani 1 1 d G . .
H2SA H 0.3959 0.8203 0.2743 0.086 Uiso 1 1 calc R . .
C3S C 0.4353(7) 0.6879(8) 0.2985(5) 0.112(6) Uani 1 1 d G . .
H3SA H 0.4351 0.6542 0.2487 0.135 Uiso 1 1 calc R . .
C4S C 0.4588(7) 0.6386(6) 0.3561(7) 0.105(6) Uani 1 1 d G . .
H4SA H 0.4748 0.5712 0.3456 0.126 Uiso 1 1 calc R . .
C5S C 0.4591(7) 0.6878(8) 0.4289(6) 0.096(5) Uani 1 1 d G . .
H5SA H 0.4752 0.6541 0.4682 0.115 Uiso 1 1 calc R . .
C6S C 0.4359(7) 0.7865(8) 0.4441(4) 0.087(5) Uani 1 1 d G . .
H6SA H 0.4361 0.8201 0.4938 0.105 Uiso 1 1 calc R . .
C7S C 0.3915(16) 0.9379(11) 0.3979(11) 0.123(6) Uiso 1 1 d D . .
H7SA H 0.3772 0.9569 0.3497 0.185 Uiso 1 1 calc R . .
H7SB H 0.4583 0.9776 0.4344 0.185 Uiso 1 1 calc R . .
H7SC H 0.3249 0.9491 0.4173 0.185 Uiso 1 1 calc R . .
C8S C 0.4100(17) 0.5472(15) 0.0335(12) 0.130(7) Uiso 1 1 d D . .
H8AS H 0.3494 0.5772 0.0542 0.195 Uiso 0.50 1 d P . .
C9S C 0.401(2) 0.5052(18) -0.0427(13) 0.166(9) Uiso 1 1 d D . .
H9S H 0.3293 0.5091 -0.0768 0.199 Uiso 1 1 calc R . .
C13S C 0.518(2) 0.5421(18) 0.0773(14) 0.163(9) Uiso 1 1 d D . .
H13S H 0.5383 0.5701 0.1303 0.196 Uiso 1 1 calc R . .
C14S C 0.318(2) 0.588(2) 0.0730(15) 0.081(8) Uiso 0.50 1 d PD . .
H14G H 0.2459 0.5877 0.0347 0.121 Uiso 0.50 1 calc PR . .
H14H H 0.3430 0.6562 0.1027 0.121 Uiso 0.50 1 calc PR . .
H14I H 0.3082 0.5472 0.1065 0.121 Uiso 0.50 1 calc PR . .
C15S C 0.0667(15) 0.4275(12) 0.0230(12) 0.182(10) Uiso 1 1 d D . .
H15S H 0.1114 0.3767 0.0381 0.219 Uiso 1 1 calc R . .
C16S C 0.0772(14) 0.4596(14) -0.0379(11) 0.180(10) Uiso 1 1 d D . .
H16A H 0.1308 0.4339 -0.0642 0.270 Uiso 0.50 1 d P . .
C17S C 0.0073(18) 0.5327(16) -0.0625(8) 0.180(10) Uiso 1 1 d D . .
H17S H 0.0119 0.5537 -0.1059 0.216 Uiso 1 1 calc R . .
C18S C 0.166(3) 0.426(4) -0.076(3) 0.31(4) Uiso 0.50 1 d PD . .
H18A H 0.1610 0.4594 -0.1166 0.465 Uiso 0.50 1 calc PR . .
H18B H 0.1535 0.3547 -0.0967 0.465 Uiso 0.50 1 calc PR . .
H18C H 0.2409 0.4425 -0.0390 0.465 Uiso 0.50 1 calc PR . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -2.7962 3.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C7B Y1 C8B 31.67(12) . .
C7B Y1 C5B 31.59(12) . .
C8B Y1 C5B 52.09(18) . .
C7B Y1 C9B 51.97(18) . .
C8B Y1 C9B 31.32(12) . .
C5B Y1 C9B 51.67(18) . .
C7B Y1 C19 117.2(3) . .
C8B Y1 C19 140.6(2) . .
C5B Y1 C19 89.6(3) . .
C9B Y1 C19 120.0(3) . .
C7B Y1 C6B 51.88(18) . .
C8B Y1 C6B 51.72(18) . .
C5B Y1 C6B 31.20(12) . .
C9B Y1 C6B 31.04(11) . .
C19 Y1 C6B 91.4(3) . .
C7B Y1 C16 116.5(3) . .
C8B Y1 C16 144.3(3) . .
C5B Y1 C16 112.0(3) . .
C9B Y1 C16 163.5(3) . .
C19 Y1 C16 51.2(3) . .
C6B Y1 C16 133.8(3) . .
C7B Y1 C15 102.0(3) . .
C8B Y1 C15 133.5(3) . .
C5B Y1 C15 85.7(3) . .
C9B Y1 C15 133.9(3) . .
C19 Y1 C15 31.2(3) . .
C6B Y1 C15 103.2(3) . .
C16 Y1 C15 30.7(3) . .
C7B Y1 C17 147.0(3) . .
C8B Y1 C17 166.6(2) . .
C5B Y1 C17 136.1(2) . .
C9B Y1 C17 159.5(2) . .
C19 Y1 C17 51.2(2) . .
C6B Y1 C17 141.5(2) . .
C16 Y1 C17 30.5(3) . .
C15 Y1 C17 50.7(3) . .
C7B Y1 C18 148.2(2) . .
C8B Y1 C18 162.1(2) . .
C5B Y1 C18 119.3(2) . .
C9B Y1 C18 131.0(2) . .
C19 Y1 C18 31.0(2) . .
C6B Y1 C18 112.0(2) . .
C16 Y1 C18 50.7(3) . .
C15 Y1 C18 51.0(3) . .
C17 Y1 C18 30.9(2) . .
C7B Y1 C4 125.9(2) . 2_766
C8B Y1 C4 94.3(2) . 2_766
C5B Y1 C4 129.8(2) . 2_766
C9B Y1 C4 79.9(2) . 2_766
C19 Y1 C4 106.8(2) . 2_766
C6B Y1 C4 99.8(2) . 2_766
C16 Y1 C4 115.1(3) . 2_766
C15 Y1 C4 131.1(3) . 2_766
C17 Y1 C4 85.5(2) . 2_766
C18 Y1 C4 80.5(2) . 2_766
C7B Y1 C1 88.1(2) . .
C8B Y1 C1 82.1(2) . .
C5B Y1 C1 119.0(2) . .
C9B Y1 C1 108.3(2) . .
C19 Y1 C1 131.6(2) . .
C6B Y1 C1 133.7(2) . .
C16 Y1 C1 80.9(3) . .
C15 Y1 C1 107.7(3) . .
C17 Y1 C1 84.5(2) . .
C18 Y1 C1 114.2(2) . .
C4 Y1 C1 85.0(2) 2_766 .
C2 Ga1 C3 118.4(4) . .
C2 Ga1 C1 108.5(3) . .
C3 Ga1 C1 109.3(3) . .
C2 Ga1 C4 109.5(3) . .
C3 Ga1 C4 108.4(3) . .
C1 Ga1 C4 101.3(3) . .
Ga1 C1 Y1 175.3(4) . .
Ga1 C1 H1A 109.5 . .
Y1 C1 H1A 72.2 . .
Ga1 C1 H1B 109.5 . .
Y1 C1 H1B 65.9 . .
H1A C1 H1B 109.5 . .
Ga1 C1 H1C 109.5 . .
Y1 C1 H1C 73.6 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
C39 Y2 C40 31.8(3) . .
C39 Y2 C31 103.1(3) . .
C40 Y2 C31 88.6(3) . .
C39 Y2 C30 117.4(3) . .
C40 Y2 C30 90.4(3) . .
C31 Y2 C30 31.4(2) . .
C39 Y2 C41 51.1(3) . .
C40 Y2 C41 30.1(3) . .
C31 Y2 C41 106.6(3) . .
C30 Y2 C41 93.6(3) . .
C39 Y2 C43 31.7(3) . .
C40 Y2 C43 51.5(3) . .
C31 Y2 C43 134.7(3) . .
C30 Y2 C43 141.2(3) . .
C41 Y2 C43 50.4(3) . .
C39 Y2 C32 118.8(3) . .
C40 Y2 C32 116.0(3) . .
C31 Y2 C32 31.0(2) . .
C30 Y2 C32 51.4(2) . .
C41 Y2 C32 137.6(3) . .
C43 Y2 C32 145.7(3) . .
C39 Y2 C29 148.5(3) . .
C40 Y2 C29 119.5(3) . .
C31 Y2 C29 51.7(2) . .
C30 Y2 C29 31.2(2) . .
C41 Y2 C29 112.5(3) . .
C43 Y2 C29 161.1(3) . .
C32 Y2 C29 51.2(2) . .
C39 Y2 C42 51.2(3) . .
C40 Y2 C42 50.3(3) . .
C31 Y2 C42 136.2(3) . .
C30 Y2 C42 121.6(3) . .
C41 Y2 C42 30.0(3) . .
C43 Y2 C42 30.4(3) . .
C32 Y2 C42 166.3(3) . .
C29 Y2 C42 130.8(3) . .
C39 Y2 C33 149.6(3) . .
C40 Y2 C33 139.2(3) . .
C31 Y2 C33 51.6(2) . .
C30 Y2 C33 51.8(2) . .
C41 Y2 C33 143.3(3) . .
C43 Y2 C33 166.3(2) . .
C32 Y2 C33 30.8(2) . .
C29 Y2 C33 31.3(2) . .
C42 Y2 C33 158.3(3) . .
C39 Y2 C28 87.2(3) . 2_655
C40 Y2 C28 118.5(3) . 2_655
C31 Y2 C28 105.7(2) . 2_655
C30 Y2 C28 130.8(2) . 2_655
C41 Y2 C28 131.8(3) . 2_655
C43 Y2 C28 81.5(3) . 2_655
C32 Y2 C28 79.6(2) . 2_655
C29 Y2 C28 115.5(2) . 2_655
C42 Y2 C28 107.2(3) . 2_655
C33 Y2 C28 84.9(2) . 2_655
C39 Y2 C25 123.5(3) . .
C40 Y2 C25 125.8(3) . .
C31 Y2 C25 132.5(2) . .
C30 Y2 C25 108.5(2) . .
C41 Y2 C25 96.7(3) . .
C43 Y2 C25 91.9(3) . .
C32 Y2 C25 115.2(2) . .
C29 Y2 C25 81.4(2) . .
C42 Y2 C25 77.6(3) . .
C33 Y2 C25 85.4(2) . .
C28 Y2 C25 86.8(2) 2_655 .
C27 Ga2 C26 116.4(5) . .
C27 Ga2 C25 109.0(4) . .
C26 Ga2 C25 111.9(4) . .
C27 Ga2 C28 109.3(4) . .
C26 Ga2 C28 108.6(3) . .
C25 Ga2 C28 100.5(3) . .
Ga1 C2 H2A 109.5 . .
Ga1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
Ga1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
Ga1 C3 H3A 109.5 . .
Ga1 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
Ga1 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
Ga1 C4 Y1 177.0(4) . 2_766
Ga1 C4 H4A 109.5 . .
Y1 C4 H4A 73.5 2_766 .
Ga1 C4 H4B 109.5 . .
Y1 C4 H4B 69.5 2_766 .
H4A C4 H4B 109.5 . .
Ga1 C4 H4C 109.5 . .
Y1 C4 H4C 68.6 2_766 .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C9 C5 C6 108.0 . .
C9 C5 C10 126.0 . .
C6 C5 C10 126.0 . .
C9 C5 Y1 75.1(2) . .
C6 C5 Y1 75.3(2) . .
C10 C5 Y1 115.7(2) . .
C7 C6 C5 108.0 . .
C7 C6 C11 126.0 . .
C5 C6 C11 126.0 . .
C7 C6 Y1 75.2(2) . .
C5 C6 Y1 75.0(2) . .
C11 C6 Y1 115.9(2) . .
C8 C7 C6 108.0 . .
C8 C7 C12 126.0 . .
C6 C7 C12 126.0 . .
C8 C7 Y1 75.1(2) . .
C6 C7 Y1 75.1(2) . .
C12 C7 Y1 116.0(2) . .
C7 C8 C9 108.0 . .
C7 C8 C13 126.0 . .
C9 C8 C13 126.0 . .
C7 C8 Y1 75.3(2) . .
C9 C8 Y1 75.0(2) . .
C13 C8 Y1 115.8(2) . .
C5 C9 C8 108.0 . .
C5 C9 C14 126.0 . .
C8 C9 C14 126.0 . .
C5 C9 Y1 75.2(2) . .
C8 C9 Y1 75.3(2) . .
C14 C9 Y1 115.7(2) . .
C5 C10 H10A 109.5 . .
C5 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C5 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C6 C11 H11A 109.5 . .
C6 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C6 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C7 C12 H12A 109.5 . .
C7 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C7 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C8 C13 H13A 109.5 . .
C8 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C8 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C9 C14 H14A 109.5 . .
C9 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C9 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C9B C6B C5B 108.0 . .
C9B C6B C10B 126.0 . .
C5B C6B C10B 126.0 . .
C9B C6B Y1 74.2(3) . .
C5B C6B Y1 73.1(3) . .
C10B C6B Y1 118.7(3) . .
C7B C5B C6B 108.0 . .
C7B C5B C11B 126.0 . .
C6B C5B C11B 126.0 . .
C7B C5B Y1 73.1(3) . .
C6B C5B Y1 75.7(3) . .
C11B C5B Y1 117.2(3) . .
C8B C7B C5B 108.0 . .
C8B C7B C12B 126.0 . .
C5B C7B C12B 126.0 . .
C8B C7B Y1 74.8(3) . .
C5B C7B Y1 75.3(3) . .
C12B C7B Y1 116.0(3) . .
C7B C8B C9B 108.0 . .
C7B C8B C13B 126.0 . .
C9B C8B C13B 126.0 . .
C7B C8B Y1 73.5(3) . .
C9B C8B Y1 75.9(3) . .
C13B C8B Y1 116.7(3) . .
C6B C9B C8B 108.0 . .
C6B C9B C14B 126.0 . .
C8B C9B C14B 126.0 . .
C6B C9B Y1 74.8(3) . .
C8B C9B Y1 72.8(3) . .
C14B C9B Y1 118.3(2) . .
C6B C10B H10D 109.5 . .
C6B C10B H10E 109.5 . .
H10D C10B H10E 109.5 . .
C6B C10B H10F 109.5 . .
H10D C10B H10F 109.5 . .
H10E C10B H10F 109.5 . .
C5B C11B H11D 109.5 . .
C5B C11B H11E 109.5 . .
H11D C11B H11E 109.5 . .
C5B C11B H11F 109.5 . .
H11D C11B H11F 109.5 . .
H11E C11B H11F 109.5 . .
C7B C12B H12D 109.5 . .
C7B C12B H12E 109.5 . .
H12D C12B H12E 109.5 . .
C7B C12B H12F 109.5 . .
H12D C12B H12F 109.5 . .
H12E C12B H12F 109.5 . .
C8B C13B H13D 109.5 . .
C8B C13B H13E 109.5 . .
H13D C13B H13E 109.5 . .
C8B C13B H13F 109.5 . .
H13D C13B H13F 109.5 . .
H13E C13B H13F 109.5 . .
C9B C14B H14D 109.5 . .
C9B C14B H14E 109.5 . .
H14D C14B H14E 109.5 . .
C9B C14B H14F 109.5 . .
H14D C14B H14F 109.5 . .
H14E C14B H14F 109.5 . .
C16 C15 C19 107.8(8) . .
C16 C15 C20 124.7(10) . .
C19 C15 C20 126.6(9) . .
C16 C15 Y1 74.4(5) . .
C19 C15 Y1 73.9(5) . .
C20 C15 Y1 125.8(6) . .
C17 C16 C15 108.9(7) . .
C17 C16 C21 126.6(9) . .
C15 C16 C21 124.3(9) . .
C17 C16 Y1 75.3(4) . .
C15 C16 Y1 74.8(5) . .
C21 C16 Y1 121.0(6) . .
C16 C17 C18 108.1(7) . .
C16 C17 C22 126.2(8) . .
C18 C17 C22 125.5(8) . .
C16 C17 Y1 74.2(5) . .
C18 C17 Y1 74.7(4) . .
C22 C17 Y1 122.0(5) . .
C19 C18 C17 107.9(7) . .
C19 C18 C23 125.2(7) . .
C17 C18 C23 126.8(7) . .
C19 C18 Y1 73.6(4) . .
C17 C18 Y1 74.4(4) . .
C23 C18 Y1 121.0(5) . .
C18 C19 C15 107.4(7) . .
C18 C19 C24 124.6(8) . .
C15 C19 C24 126.6(8) . .
C18 C19 Y1 75.5(4) . .
C15 C19 Y1 74.8(4) . .
C24 C19 Y1 126.2(6) . .
C15 C20 H20A 109.5 . .
C15 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C15 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C16 C21 H21A 109.5 . .
C16 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C16 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C17 C22 H22A 109.5 . .
C17 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C17 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C18 C23 H23A 109.5 . .
C18 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C18 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C19 C24 H24A 109.5 . .
C19 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C19 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
Ga2 C25 Y2 175.0(4) . .
Ga2 C25 H25A 109.5 . .
Y2 C25 H25A 67.6 . .
Ga2 C25 H25B 109.5 . .
Y2 C25 H25B 75.5 . .
H25A C25 H25B 109.5 . .
Ga2 C25 H25C 109.5 . .
Y2 C25 H25C 68.6 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
Ga2 C26 H26A 109.5 . .
Ga2 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
Ga2 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
Ga2 C27 H27A 109.5 . .
Ga2 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
Ga2 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
Ga2 C28 Y2 177.6(4) . 2_655
Ga2 C28 H28A 109.5 . .
Y2 C28 H28A 72.9 2_655 .
Ga2 C28 H28B 109.5 . .
Y2 C28 H28B 69.6 2_655 .
H28A C28 H28B 109.5 . .
Ga2 C28 H28C 109.5 . .
Y2 C28 H28C 69.1 2_655 .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C30 C29 C33 107.8(7) . .
C30 C29 C34 126.2(7) . .
C33 C29 C34 125.7(8) . .
C30 C29 Y2 73.4(4) . .
C33 C29 Y2 74.5(4) . .
C34 C29 Y2 123.0(5) . .
C31 C30 C29 108.0(7) . .
C31 C30 C35 125.7(7) . .
C29 C30 C35 125.1(8) . .
C31 C30 Y2 74.3(4) . .
C29 C30 Y2 75.3(4) . .
C35 C30 Y2 126.1(6) . .
C32 C31 C30 107.5(7) . .
C32 C31 C36 124.5(7) . .
C30 C31 C36 127.0(7) . .
C32 C31 Y2 75.0(4) . .
C30 C31 Y2 74.3(4) . .
C36 C31 Y2 125.2(6) . .
C33 C32 C31 109.5(7) . .
C33 C32 C37 126.0(7) . .
C31 C32 C37 124.1(7) . .
C33 C32 Y2 75.2(4) . .
C31 C32 Y2 73.9(4) . .
C37 C32 Y2 123.6(5) . .
C32 C33 C29 107.1(7) . .
C32 C33 C38 126.7(7) . .
C29 C33 C38 125.8(8) . .
C32 C33 Y2 74.0(4) . .
C29 C33 Y2 74.2(4) . .
C38 C33 Y2 122.8(5) . .
C29 C34 H34A 109.5 . .
C29 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C29 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C30 C35 H35A 109.5 . .
C30 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C30 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
C31 C36 H36A 109.5 . .
C31 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C31 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C32 C37 H37A 109.5 . .
C32 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
C32 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
C33 C38 H38A 109.5 . .
C33 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C33 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
C43 C39 C40 105.8(8) . .
C43 C39 C44 127.0(14) . .
C40 C39 C44 126.9(13) . .
C43 C39 Y2 75.2(5) . .
C40 C39 Y2 74.7(5) . .
C44 C39 Y2 120.4(7) . .
C41 C40 C39 107.8(8) . .
C41 C40 C45 125.6(12) . .
C39 C40 C45 125.4(12) . .
C41 C40 Y2 75.2(5) . .
C39 C40 Y2 73.6(5) . .
C45 C40 Y2 127.1(8) . .
C40 C41 C42 110.1(9) . .
C40 C41 C46 125.6(11) . .
C42 C41 C46 123.6(11) . .
C40 C41 Y2 74.7(5) . .
C42 C41 Y2 76.0(5) . .
C46 C41 Y2 124.2(8) . .
C41 C42 C43 108.8(8) . .
C41 C42 C47 125.0(10) . .
C43 C42 C47 125.6(10) . .
C41 C42 Y2 74.0(5) . .
C43 C42 Y2 74.1(5) . .
C47 C42 Y2 125.4(7) . .
C42 C43 C39 107.6(8) . .
C42 C43 C48 125.9(11) . .
C39 C43 C48 126.2(12) . .
C42 C43 Y2 75.5(5) . .
C39 C43 Y2 73.1(5) . .
C48 C43 Y2 122.6(6) . .
C39 C44 H44A 109.5 . .
C39 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
C39 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
C40 C45 H45A 109.5 . .
C40 C45 H45B 109.5 . .
H45A C45 H45B 109.5 . .
C40 C45 H45C 109.5 . .
H45A C45 H45C 109.5 . .
H45B C45 H45C 109.5 . .
C41 C46 H46A 109.5 . .
C41 C46 H46B 109.5 . .
H46A C46 H46B 109.5 . .
C41 C46 H46C 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 109.5 . .
C42 C47 H47A 109.5 . .
C42 C47 H47B 109.5 . .
H47A C47 H47B 109.5 . .
C42 C47 H47C 109.5 . .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.5 . .
C43 C48 H48A 109.5 . .
C43 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
C43 C48 H48C 109.5 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
C2S C1S C6S 120.0 . .
C2S C1S C7S 116.4(11) . .
C6S C1S C7S 123.5(11) . .
C1S C2S C3S 120.0 . .
C1S C2S H2SA 120.0 . .
C3S C2S H2SA 120.0 . .
C4S C3S C2S 120.0 . .
C4S C3S H3SA 120.0 . .
C2S C3S H3SA 120.0 . .
C5S C4S C3S 120.0 . .
C5S C4S H4SA 120.0 . .
C3S C4S H4SA 120.0 . .
C4S C5S C6S 120.0 . .
C4S C5S H5SA 120.0 . .
C6S C5S H5SA 120.0 . .
C5S C6S C1S 120.0 . .
C5S C6S H6SA 120.0 . .
C1S C6S H6SA 120.0 . .
C1S C7S H7SA 109.5 . .
C1S C7S H7SB 109.5 . .
H7SA C7S H7SB 109.5 . .
C1S C7S H7SC 109.5 . .
H7SA C7S H7SC 109.5 . .
H7SB C7S H7SC 109.5 . .
C13S C8S C9S 110.3(18) . .
C13S C8S C14S 119(2) . .
C9S C8S C14S 131(2) . .
C13S C8S H8AS 123(2) . .
C9S C8S H8AS 127(2) . .
C14S C8S H8AS 6.3(11) . .
C8S C9S C13S 130(2) . 2_665
C8S C9S H9S 114.8 . .
C13S C9S H9S 114.8 2_665 .
C8S C13S C9S 119(2) . 2_665
C8S C13S H13S 120.4 . .
C9S C13S H13S 120.4 2_665 .
C8S C14S H8AS 10.5(18) . .
C8S C14S H14G 109.5 . .
H8AS C14S H14G 101.6 . .
C8S C14S H14H 109.5 . .
H8AS C14S H14H 106.9 . .
H14G C14S H14H 109.5 . .
C8S C14S H14I 109.5 . .
H8AS C14S H14I 119.5 . .
H14G C14S H14I 109.5 . .
H14H C14S H14I 109.5 . .
C16S C15S C17S 121.0(7) . 2_565
C16S C15S H15S 119.5 . .
C17S C15S H15S 119.5 2_565 .
C15S C16S C17S 119.7(6) . .
C15S C16S C18S 121.8(12) . .
C17S C16S C18S 118.3(12) . .
C15S C16S H16A 121(2) . .
C17S C16S H16A 119(2) . .
C18S C16S H16A 4(2) . .
C15S C17S C16S 119.3(7) 2_565 .
C15S C17S H17S 120.4 2_565 .
C16S C17S H17S 120.4 . .
C16S C18S H16A 7(4) . .
C16S C18S H18A 109.5 . .
H16A C18S H18A 110.7 . .
C16S C18S H18B 109.5 . .
H16A C18S H18B 102.4 . .
H18A C18S H18B 109.5 . .
C16S C18S H18C 109.5 . .
H16A C18S H18C 115.0 . .
H18A C18S H18C 109.5 . .
H18B C18S H18C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Y1 C7B 2.580(8) .
Y1 C8B 2.596(8) .
Y1 C5B 2.609(8) .
Y1 C9B 2.635(8) .
Y1 C19 2.637(7) .
Y1 C6B 2.643(8) .
Y1 C16 2.644(8) .
Y1 C15 2.649(8) .
Y1 C17 2.658(8) .
Y1 C18 2.662(7) .
Y1 C4 2.662(7) 2_766
Y1 C1 2.684(7) .
Ga1 C2 1.995(8) .
Ga1 C3 2.005(8) .
Ga1 C1 2.060(7) .
Ga1 C4 2.071(7) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
Y2 C39 2.614(9) .
Y2 C40 2.628(9) .
Y2 C31 2.630(7) .
Y2 C30 2.631(7) .
Y2 C41 2.634(9) .
Y2 C43 2.641(9) .
Y2 C32 2.644(7) .
Y2 C29 2.655(8) .
Y2 C42 2.658(8) .
Y2 C33 2.659(8) .
Y2 C28 2.659(7) 2_655
Y2 C25 2.686(7) .
Ga2 C27 1.999(9) .
Ga2 C26 2.002(9) .
Ga2 C25 2.053(7) .
Ga2 C28 2.063(7) .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C2 H2C 0.9800 .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C4 Y1 2.662(7) 2_766
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 C9 1.417(4) .
C5 C6 1.417(4) .
C5 C10 1.506(4) .
C6 C7 1.417(4) .
C6 C11 1.506(4) .
C7 C8 1.417(4) .
C7 C12 1.506(4) .
C8 C9 1.417(4) .
C8 C13 1.507(4) .
C9 C14 1.506(4) .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C6B C9B 1.412(4) .
C6B C5B 1.412(4) .
C6B C10B 1.501(5) .
C5B C7B 1.412(4) .
C5B C11B 1.501(5) .
C7B C8B 1.412(4) .
C7B C12B 1.502(5) .
C8B C9B 1.412(4) .
C8B C13B 1.501(5) .
C9B C14B 1.501(5) .
C10B H10D 0.9800 .
C10B H10E 0.9800 .
C10B H10F 0.9800 .
C11B H11D 0.9800 .
C11B H11E 0.9800 .
C11B H11F 0.9800 .
C12B H12D 0.9800 .
C12B H12E 0.9800 .
C12B H12F 0.9800 .
C13B H13D 0.9800 .
C13B H13E 0.9800 .
C13B H13F 0.9800 .
C14B H14D 0.9800 .
C14B H14E 0.9800 .
C14B H14F 0.9800 .
C15 C16 1.402(13) .
C15 C19 1.423(12) .
C15 C20 1.511(13) .
C16 C17 1.394(12) .
C16 C21 1.542(12) .
C17 C18 1.415(11) .
C17 C22 1.511(12) .
C18 C19 1.414(11) .
C18 C23 1.494(11) .
C19 C24 1.492(11) .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 Y2 2.659(7) 2_655
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 C30 1.423(11) .
C29 C33 1.434(11) .
C29 C34 1.501(11) .
C30 C31 1.423(11) .
C30 C35 1.499(11) .
C31 C32 1.411(11) .
C31 C36 1.509(11) .
C32 C33 1.410(12) .
C32 C37 1.521(11) .
C33 C38 1.512(11) .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C37 H37C 0.9800 .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
C39 C43 1.434(15) .
C39 C40 1.435(16) .
C39 C44 1.494(14) .
C40 C41 1.368(14) .
C40 C45 1.506(14) .
C41 C42 1.372(14) .
C41 C46 1.520(15) .
C42 C43 1.389(13) .
C42 C47 1.524(13) .
C43 C48 1.502(14) .
C44 H44A 0.9800 .
C44 H44B 0.9800 .
C44 H44C 0.9800 .
C45 H45A 0.9800 .
C45 H45B 0.9800 .
C45 H45C 0.9800 .
C46 H46A 0.9800 .
C46 H46B 0.9800 .
C46 H46C 0.9800 .
C47 H47A 0.9800 .
C47 H47B 0.9800 .
C47 H47C 0.9800 .
C48 H48A 0.9800 .
C48 H48B 0.9800 .
C48 H48C 0.9800 .
C1S C2S 1.3900 .
C1S C6S 1.3900 .
C1S C7S 1.428(14) .
C2S C3S 1.3900 .
C2S H2SA 0.9500 .
C3S C4S 1.3900 .
C3S H3SA 0.9500 .
C4S C5S 1.3900 .
C4S H4SA 0.9500 .
C5S C6S 1.3900 .
C5S H5SA 0.9500 .
C6S H6SA 0.9500 .
C7S H7SA 0.9800 .
C7S H7SB 0.9800 .
C7S H7SC 0.9800 .
C8S C13S 1.366(16) .
C8S C9S 1.401(16) .
C8S C14S 1.553(17) .
C8S H8AS 0.981(18) .
C9S C13S 1.417(13) 2_665
C9S H9S 0.9500 .
C13S C9S 1.417(13) 2_665
C13S H13S 0.9500 .
C14S H8AS 0.59(2) .
C14S H14G 0.9800 .
C14S H14H 0.9800 .
C14S H14I 0.9800 .
C15S C16S 1.366(17) .
C15S C17S 1.366(13) 2_565
C15S H15S 0.9500 .
C16S C17S 1.419(17) .
C16S C18S 1.47(2) .
C16S H16A 0.952(10) .
C17S C15S 1.366(13) 2_565
C17S H17S 0.9500 .
C18S H16A 0.53(2) .
C18S H18A 0.9800 .
C18S H18B 0.9800 .
C18S H18C 0.9800 .
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C2 Ga1 C1 Y1 -160(5) . .
C3 Ga1 C1 Y1 70(5) . .
C4 Ga1 C1 Y1 -44(5) . .
C7B Y1 C1 Ga1 171(5) . .
C8B Y1 C1 Ga1 140(5) . .
C5B Y1 C1 Ga1 178(100) . .
C9B Y1 C1 Ga1 122(5) . .
C19 Y1 C1 Ga1 -63(5) . .
C6B Y1 C1 Ga1 143(4) . .
C16 Y1 C1 Ga1 -72(5) . .
C15 Y1 C1 Ga1 -87(5) . .
C17 Y1 C1 Ga1 -41(5) . .
C18 Y1 C1 Ga1 -33(5) . .
C4 Y1 C1 Ga1 45(5) 2_766 .
C2 Ga1 C4 Y1 105(7) . 2_766
C3 Ga1 C4 Y1 -125(7) . 2_766
C1 Ga1 C4 Y1 -10(7) . 2_766
C7B Y1 C5 C9 -100.7(3) . .
C8B Y1 C5 C9 -57.6(3) . .
C5B Y1 C5 C9 -146.6(7) . .
C9B Y1 C5 C9 -15.2(3) . .
C19 Y1 C5 C9 126.7(3) . .
C6B Y1 C5 C9 33.3(10) . .
C16 Y1 C5 C9 167.4(3) . .
C15 Y1 C5 C9 157.6(3) . .
C17 Y1 C5 C9 131.5(4) . .
C18 Y1 C5 C9 108.5(3) . .
C4 Y1 C5 C9 18.1(3) 2_766 .
C1 Y1 C5 C9 -84.3(4) . .
C7B Y1 C5 C6 12.9(3) . .
C8B Y1 C5 C6 56.0(3) . .
C5B Y1 C5 C6 -33.0(8) . .
C9B Y1 C5 C6 98.4(3) . .
C19 Y1 C5 C6 -119.7(3) . .
C6B Y1 C5 C6 146.9(10) . .
C16 Y1 C5 C6 -79.0(3) . .
C15 Y1 C5 C6 -88.8(3) . .
C17 Y1 C5 C6 -114.9(4) . .
C18 Y1 C5 C6 -137.9(3) . .
C4 Y1 C5 C6 131.7(3) 2_766 .
C1 Y1 C5 C6 29.3(3) . .
C7B Y1 C5 C10 136.1(3) . .
C8B Y1 C5 C10 179.2(3) . .
C5B Y1 C5 C10 90.2(7) . .
C9B Y1 C5 C10 -138.4(3) . .
C19 Y1 C5 C10 3.5(3) . .
C6B Y1 C5 C10 -89.9(10) . .
C16 Y1 C5 C10 44.3(3) . .
C15 Y1 C5 C10 34.4(3) . .
C17 Y1 C5 C10 8.3(4) . .
C18 Y1 C5 C10 -14.6(3) . .
C4 Y1 C5 C10 -105.0(3) 2_766 .
C1 Y1 C5 C10 152.5(3) . .
C9 C5 C6 C7 0.0 . .
C10 C5 C6 C7 -180.0 . .
Y1 C5 C6 C7 -68.6(2) . .
C9 C5 C6 C11 180.0 . .
C10 C5 C6 C11 0.0 . .
Y1 C5 C6 C11 111.4(2) . .
C9 C5 C6 Y1 68.6(2) . .
C10 C5 C6 Y1 -111.4(2) . .
C7B Y1 C6 C7 -28.9(9) . .
C8B Y1 C6 C7 18.6(3) . .
C5B Y1 C6 C7 146.9(7) . .
C9B Y1 C6 C7 60.7(3) . .
C19 Y1 C6 C7 177.6(3) . .
C6B Y1 C6 C7 102.5(3) . .
C16 Y1 C6 C7 -128.7(3) . .
C15 Y1 C6 C7 -152.5(3) . .
C17 Y1 C6 C7 -140.4(4) . .
C18 Y1 C6 C7 172.8(3) . .
C4 Y1 C6 C7 50.0(4) 2_766 .
C1 Y1 C6 C7 -43.3(3) . .
C7B Y1 C6 C5 -142.6(9) . .
C8B Y1 C6 C5 -95.1(3) . .
C5B Y1 C6 C5 33.2(8) . .
C9B Y1 C6 C5 -53.0(3) . .
C19 Y1 C6 C5 63.9(3) . .
C6B Y1 C6 C5 -11.1(3) . .
C16 Y1 C6 C5 117.6(3) . .
C15 Y1 C6 C5 93.8(3) . .
C17 Y1 C6 C5 106.0(4) . .
C18 Y1 C6 C5 59.1(3) . .
C4 Y1 C6 C5 -63.7(4) 2_766 .
C1 Y1 C6 C5 -157.0(3) . .
C7B Y1 C6 C11 94.3(9) . .
C8B Y1 C6 C11 141.8(3) . .
C5B Y1 C6 C11 -89.9(7) . .
C9B Y1 C6 C11 -176.1(3) . .
C19 Y1 C6 C11 -59.2(3) . .
C6B Y1 C6 C11 -134.3(3) . .
C16 Y1 C6 C11 -5.5(3) . .
C15 Y1 C6 C11 -29.3(3) . .
C17 Y1 C6 C11 -17.2(4) . .
C18 Y1 C6 C11 -64.0(3) . .
C4 Y1 C6 C11 173.2(3) 2_766 .
C1 Y1 C6 C11 79.9(3) . .
C5 C6 C7 C8 0.0 . .
C11 C6 C7 C8 180.0 . .
Y1 C6 C7 C8 -68.5(2) . .
C5 C6 C7 C12 -180.0 . .
C11 C6 C7 C12 0.0 . .
Y1 C6 C7 C12 111.5(2) . .
C5 C6 C7 Y1 68.5(2) . .
C11 C6 C7 Y1 -111.5(2) . .
C7B Y1 C7 C8 135.6(7) . .
C8B Y1 C7 C8 -12.0(9) . .
C5B Y1 C7 C8 100.3(3) . .
C9B Y1 C7 C8 22.4(3) . .
C19 Y1 C7 C8 110.4(4) . .
C6B Y1 C7 C8 61.0(3) . .
C16 Y1 C7 C8 -178.2(3) . .
C15 Y1 C7 C8 145.9(3) . .
C17 Y1 C7 C8 -154.9(6) . .
C18 Y1 C7 C8 94.4(9) . .
C4 Y1 C7 C8 -28.1(3) 2_766 .
C1 Y1 C7 C8 -109.3(3) . .
C7B Y1 C7 C6 21.9(7) . .
C8B Y1 C7 C6 -125.7(9) . .
C5B Y1 C7 C6 -13.4(3) . .
C9B Y1 C7 C6 -91.3(3) . .
C19 Y1 C7 C6 -3.3(4) . .
C6B Y1 C7 C6 -52.7(3) . .
C16 Y1 C7 C6 68.1(3) . .
C15 Y1 C7 C6 32.2(3) . .
C17 Y1 C7 C6 91.4(6) . .
C18 Y1 C7 C6 -19.3(9) . .
C4 Y1 C7 C6 -141.8(3) 2_766 .
C1 Y1 C7 C6 137.0(3) . .
C7B Y1 C7 C12 -101.3(7) . .
C8B Y1 C7 C12 111.2(9) . .
C5B Y1 C7 C12 -136.5(3) . .
C9B Y1 C7 C12 145.5(3) . .
C19 Y1 C7 C12 -126.4(4) . .
C6B Y1 C7 C12 -175.8(3) . .
C16 Y1 C7 C12 -55.1(3) . .
C15 Y1 C7 C12 -91.0(3) . .
C17 Y1 C7 C12 -31.8(6) . .
C18 Y1 C7 C12 -142.4(9) . .
C4 Y1 C7 C12 95.0(3) 2_766 .
C1 Y1 C7 C12 13.8(3) . .
C6 C7 C8 C9 0.0 . .
C12 C7 C8 C9 180.0 . .
Y1 C7 C8 C9 -68.5(2) . .
C6 C7 C8 C13 180.0 . .
C12 C7 C8 C13 0.0 . .
Y1 C7 C8 C13 111.5(2) . .
C6 C7 C8 Y1 68.5(2) . .
C12 C7 C8 Y1 -111.5(2) . .
C7B Y1 C8 C7 -18.4(3) . .
C8B Y1 C8 C7 11.1(8) . .
C5B Y1 C8 C7 -56.7(2) . .
C9B Y1 C8 C7 -124.6(7) . .
C19 Y1 C8 C7 -100.9(4) . .
C6B Y1 C8 C7 -94.6(3) . .
C16 Y1 C8 C7 3.9(7) . .
C15 Y1 C8 C7 -52.4(5) . .
C17 Y1 C8 C7 136.1(10) . .
C18 Y1 C8 C7 -149.8(4) . .
C4 Y1 C8 C7 153.1(3) 2_766 .
C1 Y1 C8 C7 68.3(3) . .
C7B Y1 C8 C9 95.2(3) . .
C8B Y1 C8 C9 124.7(8) . .
C5B Y1 C8 C9 56.9(2) . .
C9B Y1 C8 C9 -10.9(7) . .
C19 Y1 C8 C9 12.8(4) . .
C6B Y1 C8 C9 19.0(3) . .
C16 Y1 C8 C9 117.6(8) . .
C15 Y1 C8 C9 61.2(5) . .
C17 Y1 C8 C9 -110.2(10) . .
C18 Y1 C8 C9 -36.1(4) . .
C4 Y1 C8 C9 -93.2(3) 2_766 .
C1 Y1 C8 C9 -178.1(3) . .
C7B Y1 C8 C13 -141.7(3) . .
C8B Y1 C8 C13 -112.2(8) . .
C5B Y1 C8 C13 -179.9(2) . .
C9B Y1 C8 C13 112.2(7) . .
C19 Y1 C8 C13 135.9(4) . .
C6B Y1 C8 C13 142.1(3) . .
C16 Y1 C8 C13 -119.3(7) . .
C15 Y1 C8 C13 -175.7(5) . .
C17 Y1 C8 C13 12.9(10) . .
C18 Y1 C8 C13 87.0(4) . .
C4 Y1 C8 C13 29.9(3) 2_766 .
C1 Y1 C8 C13 -54.9(3) . .
C6 C5 C9 C8 0.0 . .
C10 C5 C9 C8 180.0 . .
Y1 C5 C9 C8 68.8(2) . .
C6 C5 C9 C14 -180.0 . .
C10 C5 C9 C14 0.0 . .
Y1 C5 C9 C14 -111.2(2) . .
C6 C5 C9 Y1 -68.8(2) . .
C10 C5 C9 Y1 111.2(2) . .
C7 C8 C9 C5 0.0 . .
C13 C8 C9 C5 180.0 . .
Y1 C8 C9 C5 -68.7(2) . .
C7 C8 C9 C14 180.0 . .
C13 C8 C9 C14 0.0 . .
Y1 C8 C9 C14 111.3(2) . .
C7 C8 C9 Y1 68.7(2) . .
C13 C8 C9 Y1 -111.3(2) . .
C7B Y1 C9 C5 53.9(3) . .
C8B Y1 C9 C5 93.6(3) . .
C5B Y1 C9 C5 13.5(3) . .
C9B Y1 C9 C5 129.7(10) . .
C19 Y1 C9 C5 -57.3(3) . .
C6B Y1 C9 C5 -22.5(7) . .
C16 Y1 C9 C5 -23.5(6) . .
C15 Y1 C9 C5 -26.9(3) . .
C17 Y1 C9 C5 -93.8(5) . .
C18 Y1 C9 C5 -88.0(3) . .
C4 Y1 C9 C5 -163.3(3) 2_766 .
C1 Y1 C9 C5 115.8(3) . .
C7B Y1 C9 C8 -59.7(3) . .
C8B Y1 C9 C8 -20.0(3) . .
C5B Y1 C9 C8 -100.0(3) . .
C9B Y1 C9 C8 16.1(10) . .
C19 Y1 C9 C8 -170.9(3) . .
C6B Y1 C9 C8 -136.1(6) . .
C16 Y1 C9 C8 -137.1(6) . .
C15 Y1 C9 C8 -140.4(3) . .
C17 Y1 C9 C8 152.6(5) . .
C18 Y1 C9 C8 158.4(3) . .
C4 Y1 C9 C8 83.2(3) 2_766 .
C1 Y1 C9 C8 2.2(3) . .
C7B Y1 C9 C14 177.1(3) . .
C8B Y1 C9 C14 -143.2(3) . .
C5B Y1 C9 C14 136.7(3) . .
C9B Y1 C9 C14 -107.1(10) . .
C19 Y1 C9 C14 65.9(3) . .
C6B Y1 C9 C14 100.7(7) . .
C16 Y1 C9 C14 99.7(6) . .
C15 Y1 C9 C14 96.3(3) . .
C17 Y1 C9 C14 29.4(5) . .
C18 Y1 C9 C14 35.2(3) . .
C4 Y1 C9 C14 -40.1(3) 2_766 .
C1 Y1 C9 C14 -121.0(3) . .
C7B Y1 C6B C9B -77.59(14) . .
C8B Y1 C6B C9B -36.95(9) . .
C5B Y1 C6B C9B -114.97(13) . .
C19 Y1 C6B C9B 158.2(3) . .
C16 Y1 C6B C9B -169.5(4) . .
C15 Y1 C6B C9B -172.6(3) . .
C17 Y1 C6B C9B 145.9(4) . .
C18 Y1 C6B C9B 134.4(3) . .
C4 Y1 C6B C9B 50.8(3) 2_766 .
C1 Y1 C6B C9B -41.5(4) . .
C7B Y1 C6B C5B 37.38(9) . .
C8B Y1 C6B C5B 78.02(13) . .
C9B Y1 C6B C5B 114.97(12) . .
C19 Y1 C6B C5B -86.9(3) . .
C16 Y1 C6B C5B -54.6(4) . .
C15 Y1 C6B C5B -57.7(3) . .
C17 Y1 C6B C5B -99.1(4) . .
C18 Y1 C6B C5B -110.6(3) . .
C4 Y1 C6B C5B 165.8(3) 2_766 .
C1 Y1 C6B C5B 73.4(4) . .
C7B Y1 C6B C10B 159.6 . .
C8B Y1 C6B C10B -159.7 . .
C5B Y1 C6B C10B 122.26(12) . .
C9B Y1 C6B C10B -122.77(12) . .
C19 Y1 C6B C10B 35.4(3) . .
C16 Y1 C6B C10B 67.7(4) . .
C15 Y1 C6B C10B 64.6(3) . .
C17 Y1 C6B C10B 23.1(4) . .
C18 Y1 C6B C10B 11.6(3) . .
C4 Y1 C6B C10B -72.0(3) 2_766 .
C1 Y1 C6B C10B -164.3(4) . .
C9B C6B C5B C7B 0.0 . .
C10B C6B C5B C7B 180.0 . .
Y1 C6B C5B C7B -66.5(3) . .
C9B C6B C5B C11B -180.0 . .
C10B C6B C5B C11B 0.0 . .
Y1 C6B C5B C11B 113.5(3) . .
C9B C6B C5B Y1 66.5(3) . .
C10B C6B C5B Y1 -113.5(3) . .
C8B Y1 C5B C7B 37.54(8) . .
C9B Y1 C5B C7B 77.66(13) . .
C19 Y1 C5B C7B -152.4(3) . .
C6B Y1 C5B C7B 114.24(12) . .
C16 Y1 C5B C7B -105.1(3) . .
C15 Y1 C5B C7B -121.3(3) . .
C17 Y1 C5B C7B -128.2(3) . .
C18 Y1 C5B C7B -161.4(3) . .
C4 Y1 C5B C7B 95.9(4) 2_766 .
C1 Y1 C5B C7B -13.4(3) . .
C7B Y1 C5B C6B -114.24(12) . .
C8B Y1 C5B C6B -76.70(13) . .
C9B Y1 C5B C6B -36.58(8) . .
C19 Y1 C5B C6B 93.4(3) . .
C16 Y1 C5B C6B 140.6(3) . .
C15 Y1 C5B C6B 124.4(3) . .
C17 Y1 C5B C6B 117.6(3) . .
C18 Y1 C5B C6B 84.4(3) . .
C4 Y1 C5B C6B -18.4(4) 2_766 .
C1 Y1 C5B C6B -127.6(3) . .
C7B Y1 C5B C11B 122.30(11) . .
C8B Y1 C5B C11B 159.8 . .
C9B Y1 C5B C11B -160.0 . .
C19 Y1 C5B C11B -30.1(3) . .
C6B Y1 C5B C11B -123.46(11) . .
C16 Y1 C5B C11B 17.2(3) . .
C15 Y1 C5B C11B 1.0(3) . .
C17 Y1 C5B C11B -5.9(4) . .
C18 Y1 C5B C11B -39.1(3) . .
C4 Y1 C5B C11B -141.8(4) 2_766 .
C1 Y1 C5B C11B 108.9(3) . .
C6B C5B C7B C8B 0.0 . .
C11B C5B C7B C8B 180.0 . .
Y1 C5B C7B C8B -68.3(3) . .
C6B C5B C7B C12B 180.0 . .
C11B C5B C7B C12B 0.0 . .
Y1 C5B C7B C12B 111.7(3) . .
C6B C5B C7B Y1 68.3(3) . .
C11B C5B C7B Y1 -111.7(3) . .
C5B Y1 C7B C8B 113.71(11) . .
C9B Y1 C7B C8B 37.07(8) . .
C19 Y1 C7B C8B 145.2(3) . .
C6B Y1 C7B C8B 76.82(12) . .
C16 Y1 C7B C8B -156.9(3) . .
C15 Y1 C7B C8B 174.3(3) . .
C17 Y1 C7B C8B -154.9(4) . .
C18 Y1 C7B C8B 145.6(5) . .
C4 Y1 C7B C8B 4.4(3) 2_766 .
C1 Y1 C7B C8B -78.0(3) . .
C8B Y1 C7B C5B -113.71(11) . .
C9B Y1 C7B C5B -76.64(13) . .
C19 Y1 C7B C5B 31.4(3) . .
C6B Y1 C7B C5B -36.89(8) . .
C16 Y1 C7B C5B 89.4(3) . .
C15 Y1 C7B C5B 60.6(3) . .
C17 Y1 C7B C5B 91.4(4) . .
C18 Y1 C7B C5B 31.9(5) . .
C4 Y1 C7B C5B -109.3(4) 2_766 .
C1 Y1 C7B C5B 168.3(3) . .
C8B Y1 C7B C12B 123.04(11) . .
C5B Y1 C7B C12B -123.26(11) . .
C9B Y1 C7B C12B 160.1 . .
C19 Y1 C7B C12B -91.8(3) . .
C6B Y1 C7B C12B -160.1 . .
C16 Y1 C7B C12B -33.9(3) . .
C15 Y1 C7B C12B -62.7(3) . .
C17 Y1 C7B C12B -31.9(4) . .
C18 Y1 C7B C12B -91.4(5) . .
C4 Y1 C7B C12B 127.4(3) 2_766 .
C1 Y1 C7B C12B 45.0(3) . .
C5B C7B C8B C9B 0.0 . .
C12B C7B C8B C9B 180.0 . .
Y1 C7B C8B C9B -68.7(3) . .
C5B C7B C8B C13B 180.0 . .
C12B C7B C8B C13B 0.0 . .
Y1 C7B C8B C13B 111.3(3) . .
C5B C7B C8B Y1 68.7(3) . .
C12B C7B C8B Y1 -111.3(3) . .
C5B Y1 C8B C7B -37.44(8) . .
C9B Y1 C8B C7B -114.00(12) . .
C19 Y1 C8B C7B -53.2(5) . .
C6B Y1 C8B C7B -77.39(13) . .
C16 Y1 C8B C7B 37.0(5) . .
C15 Y1 C8B C7B -7.7(4) . .
C17 Y1 C8B C7B 94.9(11) . .
C18 Y1 C8B C7B -104.4(8) . .
C4 Y1 C8B C7B -176.4(3) 2_766 .
C1 Y1 C8B C7B 99.3(3) . .
C7B Y1 C8B C9B 114.00(12) . .
C5B Y1 C8B C9B 76.56(13) . .
C19 Y1 C8B C9B 60.8(5) . .
C6B Y1 C8B C9B 36.61(8) . .
C16 Y1 C8B C9B 151.0(5) . .
C15 Y1 C8B C9B 106.3(5) . .
C17 Y1 C8B C9B -151.1(11) . .
C18 Y1 C8B C9B 9.6(8) . .
C4 Y1 C8B C9B -62.4(3) 2_766 .
C1 Y1 C8B C9B -146.7(3) . .
C7B Y1 C8B C13B -122.51(11) . .
C5B Y1 C8B C13B -159.9 . .
C9B Y1 C8B C13B 123.49(11) . .
C19 Y1 C8B C13B -175.7(5) . .
C6B Y1 C8B C13B 160.1 . .
C16 Y1 C8B C13B -85.5(5) . .
C15 Y1 C8B C13B -130.3(4) . .
C17 Y1 C8B C13B -27.6(11) . .
C18 Y1 C8B C13B 133.1(8) . .
C4 Y1 C8B C13B 61.1(3) 2_766 .
C1 Y1 C8B C13B -23.2(3) . .
C5B C6B C9B C8B 0.0 . .
C10B C6B C9B C8B 180.0 . .
Y1 C6B C9B C8B 65.8(3) . .
C5B C6B C9B C14B -180.0 . .
C10B C6B C9B C14B 0.0 . .
Y1 C6B C9B C14B -114.2(3) . .
C5B C6B C9B Y1 -65.8(3) . .
C10B C6B C9B Y1 114.2(3) . .
C7B C8B C9B C6B 0.0 . .
C13B C8B C9B C6B 180.0 . .
Y1 C8B C9B C6B -67.1(3) . .
C7B C8B C9B C14B 180.0 . .
C13B C8B C9B C14B 0.0 . .
Y1 C8B C9B C14B 112.9(3) . .
C7B C8B C9B Y1 67.1(3) . .
C13B C8B C9B Y1 -112.9(3) . .
C7B Y1 C9B C6B 77.28(14) . .
C8B Y1 C9B C6B 114.80(12) . .
C5B Y1 C9B C6B 36.77(9) . .
C19 Y1 C9B C6B -25.4(3) . .
C16 Y1 C9B C6B 27.6(10) . .
C15 Y1 C9B C6B 10.0(4) . .
C17 Y1 C9B C6B -83.9(7) . .
C18 Y1 C9B C6B -61.3(3) . .
C4 Y1 C9B C6B -129.1(3) 2_766 .
C1 Y1 C9B C6B 149.7(3) . .
C7B Y1 C9B C8B -37.51(9) . .
C5B Y1 C9B C8B -78.03(13) . .
C19 Y1 C9B C8B -140.2(3) . .
C6B Y1 C9B C8B -114.80(12) . .
C16 Y1 C9B C8B -87.2(10) . .
C15 Y1 C9B C8B -104.8(4) . .
C17 Y1 C9B C8B 161.3(7) . .
C18 Y1 C9B C8B -176.1(3) . .
C4 Y1 C9B C8B 116.1(3) 2_766 .
C1 Y1 C9B C8B 34.9(3) . .
C7B Y1 C9B C14B -159.7 . .
C8B Y1 C9B C14B -122.15(12) . .
C5B Y1 C9B C14B 159.8 . .
C19 Y1 C9B C14B 97.6(3) . .
C6B Y1 C9B C14B 123.05(12) . .
C16 Y1 C9B C14B 150.7(10) . .
C15 Y1 C9B C14B 133.0(4) . .
C17 Y1 C9B C14B 39.2(7) . .
C18 Y1 C9B C14B 61.8(3) . .
C4 Y1 C9B C14B -6.0(3) 2_766 .
C1 Y1 C9B C14B -87.3(3) . .
C7B Y1 C15 C16 122.3(5) . .
C8B Y1 C15 C16 126.5(5) . .
C5B Y1 C15 C16 149.5(5) . .
C9B Y1 C15 C16 170.3(5) . .
C19 Y1 C15 C16 -114.2(8) . .
C6B Y1 C15 C16 175.6(5) . .
C17 Y1 C15 C16 -36.5(5) . .
C18 Y1 C15 C16 -76.7(6) . .
C4 Y1 C15 C16 -68.6(6) 2_766 .
C1 Y1 C15 C16 30.4(6) . .
C7B Y1 C15 C19 -123.4(5) . .
C8B Y1 C15 C19 -119.3(5) . .
C5B Y1 C15 C19 -96.2(5) . .
C9B Y1 C15 C19 -75.4(6) . .
C6B Y1 C15 C19 -70.2(5) . .
C16 Y1 C15 C19 114.2(8) . .
C17 Y1 C15 C19 77.7(5) . .
C18 Y1 C15 C19 37.6(5) . .
C4 Y1 C15 C19 45.7(7) 2_766 .
C1 Y1 C15 C19 144.7(5) . .
C7B Y1 C15 C20 0.4(10) . .
C8B Y1 C15 C20 4.6(11) . .
C5B Y1 C15 C20 27.6(9) . .
C9B Y1 C15 C20 48.4(11) . .
C19 Y1 C15 C20 123.8(12) . .
C6B Y1 C15 C20 53.7(10) . .
C16 Y1 C15 C20 -121.9(12) . .
C17 Y1 C15 C20 -158.5(11) . .
C18 Y1 C15 C20 161.4(11) . .
C4 Y1 C15 C20 169.5(8) 2_766 .
C1 Y1 C15 C20 -91.5(10) . .
C19 C15 C16 C17 1.3(10) . .
C20 C15 C16 C17 -168.6(8) . .
Y1 C15 C16 C17 68.3(6) . .
C19 C15 C16 C21 175.5(8) . .
C20 C15 C16 C21 5.7(14) . .
Y1 C15 C16 C21 -117.5(9) . .
C19 C15 C16 Y1 -67.0(6) . .
C20 C15 C16 Y1 123.1(9) . .
C7B Y1 C16 C17 177.9(5) . .
C8B Y1 C16 C17 157.2(5) . .
C5B Y1 C16 C17 -147.7(5) . .
C9B Y1 C16 C17 -140.0(8) . .
C19 Y1 C16 C17 -77.3(5) . .
C6B Y1 C16 C17 -120.6(5) . .
C15 Y1 C16 C17 -114.6(7) . .
C18 Y1 C16 C17 -37.1(5) . .
C4 Y1 C16 C17 14.6(6) 2_766 .
C1 Y1 C16 C17 94.6(5) . .
C7B Y1 C16 C15 -67.5(6) . .
C8B Y1 C16 C15 -88.1(6) . .
C5B Y1 C16 C15 -33.1(6) . .
C9B Y1 C16 C15 -25.3(12) . .
C19 Y1 C16 C15 37.3(5) . .
C6B Y1 C16 C15 -6.0(7) . .
C17 Y1 C16 C15 114.6(7) . .
C18 Y1 C16 C15 77.5(5) . .
C4 Y1 C16 C15 129.2(5) 2_766 .
C1 Y1 C16 C15 -150.7(5) . .
C7B Y1 C16 C21 53.7(9) . .
C8B Y1 C16 C21 33.1(11) . .
C5B Y1 C16 C21 88.2(9) . .
C9B Y1 C16 C21 95.9(12) . .
C19 Y1 C16 C21 158.5(10) . .
C6B Y1 C16 C21 115.2(8) . .
C15 Y1 C16 C21 121.2(11) . .
C17 Y1 C16 C21 -124.1(11) . .
C18 Y1 C16 C21 -161.3(10) . .
C4 Y1 C16 C21 -109.6(8) 2_766 .
C1 Y1 C16 C21 -29.5(8) . .
C15 C16 C17 C18 -0.3(9) . .
C21 C16 C17 C18 -174.4(8) . .
Y1 C16 C17 C18 67.6(5) . .
C15 C16 C17 C22 173.7(8) . .
C21 C16 C17 C22 -0.4(14) . .
Y1 C16 C17 C22 -118.4(8) . .
C15 C16 C17 Y1 -68.0(6) . .
C21 C16 C17 Y1 118.0(9) . .
C7B Y1 C17 C16 -3.5(8) . .
C8B Y1 C17 C16 -77.1(12) . .
C5B Y1 C17 C16 45.6(6) . .
C9B Y1 C17 C16 148.7(7) . .
C19 Y1 C17 C16 77.4(5) . .
C6B Y1 C17 C16 93.2(6) . .
C15 Y1 C17 C16 36.8(5) . .
C18 Y1 C17 C16 114.3(7) . .
C4 Y1 C17 C16 -166.8(5) 2_766 .
C1 Y1 C17 C16 -81.4(5) . .
C7B Y1 C17 C18 -117.8(5) . .
C8B Y1 C17 C18 168.6(10) . .
C5B Y1 C17 C18 -68.7(6) . .
C9B Y1 C17 C18 34.4(10) . .
C19 Y1 C17 C18 -36.9(4) . .
C6B Y1 C17 C18 -21.1(7) . .
C16 Y1 C17 C18 -114.3(7) . .
C15 Y1 C17 C18 -77.4(5) . .
C4 Y1 C17 C18 78.9(5) 2_766 .
C1 Y1 C17 C18 164.3(5) . .
C7B Y1 C17 C22 119.6(7) . .
C8B Y1 C17 C22 46.0(15) . .
C5B Y1 C17 C22 168.7(6) . .
C9B Y1 C17 C22 -88.2(10) . .
C19 Y1 C17 C22 -159.5(8) . .
C6B Y1 C17 C22 -143.7(7) . .
C16 Y1 C17 C22 123.1(9) . .
C15 Y1 C17 C22 159.9(8) . .
C18 Y1 C17 C22 -122.6(9) . .
C4 Y1 C17 C22 -43.7(7) 2_766 .
C1 Y1 C17 C22 41.7(7) . .
C16 C17 C18 C19 -0.8(9) . .
C22 C17 C18 C19 -174.8(7) . .
Y1 C17 C18 C19 66.5(5) . .
C16 C17 C18 C23 175.4(7) . .
C22 C17 C18 C23 1.4(13) . .
Y1 C17 C18 C23 -117.3(8) . .
C16 C17 C18 Y1 -67.3(6) . .
C22 C17 C18 Y1 118.7(8) . .
C7B Y1 C18 C19 -0.8(7) . .
C8B Y1 C18 C19 74.1(9) . .
C5B Y1 C18 C19 17.7(6) . .
C9B Y1 C18 C19 80.7(5) . .
C6B Y1 C18 C19 51.5(5) . .
C16 Y1 C18 C19 -77.8(5) . .
C15 Y1 C18 C19 -37.9(5) . .
C17 Y1 C18 C19 -114.5(7) . .
C4 Y1 C18 C19 148.3(5) 2_766 .
C1 Y1 C18 C19 -131.7(5) . .
C7B Y1 C18 C17 113.7(6) . .
C8B Y1 C18 C17 -171.4(7) . .
C5B Y1 C18 C17 132.2(5) . .
C9B Y1 C18 C17 -164.8(5) . .
C19 Y1 C18 C17 114.5(7) . .
C6B Y1 C18 C17 166.0(5) . .
C16 Y1 C18 C17 36.7(5) . .
C15 Y1 C18 C17 76.6(5) . .
C4 Y1 C18 C17 -97.2(5) 2_766 .
C1 Y1 C18 C17 -17.2(5) . .
C7B Y1 C18 C23 -122.4(6) . .
C8B Y1 C18 C23 -47.5(11) . .
C5B Y1 C18 C23 -103.9(6) . .
C9B Y1 C18 C23 -40.9(7) . .
C19 Y1 C18 C23 -121.6(8) . .
C6B Y1 C18 C23 -70.1(7) . .
C16 Y1 C18 C23 160.6(8) . .
C15 Y1 C18 C23 -159.5(8) . .
C17 Y1 C18 C23 123.9(8) . .
C4 Y1 C18 C23 26.6(6) 2_766 .
C1 Y1 C18 C23 106.7(6) . .
C17 C18 C19 C15 1.6(9) . .
C23 C18 C19 C15 -174.7(7) . .
Y1 C18 C19 C15 68.7(5) . .
C17 C18 C19 C24 168.6(8) . .
C23 C18 C19 C24 -7.6(13) . .
Y1 C18 C19 C24 -124.3(8) . .
C17 C18 C19 Y1 -67.1(5) . .
C23 C18 C19 Y1 116.6(7) . .
C16 C15 C19 C18 -1.8(9) . .
C20 C15 C19 C18 167.9(9) . .
Y1 C15 C19 C18 -69.1(5) . .
C16 C15 C19 C24 -168.5(8) . .
C20 C15 C19 C24 1.1(15) . .
Y1 C15 C19 C24 124.2(8) . .
C16 C15 C19 Y1 67.3(6) . .
C20 C15 C19 Y1 -123.0(10) . .
C7B Y1 C19 C18 179.5(4) . .
C8B Y1 C19 C18 -152.3(4) . .
C5B Y1 C19 C18 -164.6(5) . .
C9B Y1 C19 C18 -120.7(5) . .
C6B Y1 C19 C18 -133.5(5) . .
C16 Y1 C19 C18 76.2(5) . .
C15 Y1 C19 C18 112.9(7) . .
C17 Y1 C19 C18 36.8(4) . .
C4 Y1 C19 C18 -32.8(5) 2_766 .
C1 Y1 C19 C18 65.5(6) . .
C7B Y1 C19 C15 66.6(6) . .
C8B Y1 C19 C15 94.8(6) . .
C5B Y1 C19 C15 82.5(5) . .
C9B Y1 C19 C15 126.4(5) . .
C6B Y1 C19 C15 113.6(6) . .
C16 Y1 C19 C15 -36.7(5) . .
C17 Y1 C19 C15 -76.1(6) . .
C18 Y1 C19 C15 -112.9(7) . .
C4 Y1 C19 C15 -145.8(5) 2_766 .
C1 Y1 C19 C15 -47.4(6) . .
C7B Y1 C19 C24 -58.0(8) . .
C8B Y1 C19 C24 -29.8(10) . .
C5B Y1 C19 C24 -42.1(8) . .
C9B Y1 C19 C24 1.8(9) . .
C6B Y1 C19 C24 -11.0(8) . .
C16 Y1 C19 C24 -161.3(9) . .
C15 Y1 C19 C24 -124.6(10) . .
C17 Y1 C19 C24 159.3(9) . .
C18 Y1 C19 C24 122.5(10) . .
C4 Y1 C19 C24 89.7(8) 2_766 .
C1 Y1 C19 C24 -172.0(7) . .
C27 Ga2 C25 Y2 103(4) . .
C26 Ga2 C25 Y2 -127(4) . .
C28 Ga2 C25 Y2 -12(4) . .
C39 Y2 C25 Ga2 97(4) . .
C40 Y2 C25 Ga2 135(4) . .
C31 Y2 C25 Ga2 -96(4) . .
C30 Y2 C25 Ga2 -120(4) . .
C41 Y2 C25 Ga2 144(4) . .
C43 Y2 C25 Ga2 93(4) . .
C32 Y2 C25 Ga2 -65(4) . .
C29 Y2 C25 Ga2 -104(4) . .
C42 Y2 C25 Ga2 120(4) . .
C33 Y2 C25 Ga2 -73(4) . .
C28 Y2 C25 Ga2 12(4) 2_655 .
C27 Ga2 C28 Y2 -121(10) . 2_655
C26 Ga2 C28 Y2 111(10) . 2_655
C25 Ga2 C28 Y2 -6(10) . 2_655
C39 Y2 C29 C30 -5.0(7) . .
C40 Y2 C29 C30 -23.7(5) . .
C31 Y2 C29 C30 37.3(4) . .
C41 Y2 C29 C30 -56.5(5) . .
C43 Y2 C29 C30 -79.9(9) . .
C32 Y2 C29 C30 77.4(5) . .
C42 Y2 C29 C30 -84.9(5) . .
C33 Y2 C29 C30 114.5(7) . .
C28 Y2 C29 C30 127.6(4) 2_655 .
C25 Y2 C29 C30 -150.2(5) . .
C39 Y2 C29 C33 -119.5(6) . .
C40 Y2 C29 C33 -138.2(5) . .
C31 Y2 C29 C33 -77.1(5) . .
C30 Y2 C29 C33 -114.5(7) . .
C41 Y2 C29 C33 -170.9(5) . .
C43 Y2 C29 C33 165.7(8) . .
C32 Y2 C29 C33 -37.1(4) . .
C42 Y2 C29 C33 160.7(5) . .
C28 Y2 C29 C33 13.1(5) 2_655 .
C25 Y2 C29 C33 95.3(5) . .
C39 Y2 C29 C34 117.7(7) . .
C40 Y2 C29 C34 99.0(7) . .
C31 Y2 C29 C34 160.1(8) . .
C30 Y2 C29 C34 122.8(9) . .
C41 Y2 C29 C34 66.3(7) . .
C43 Y2 C29 C34 42.9(12) . .
C32 Y2 C29 C34 -159.9(8) . .
C42 Y2 C29 C34 37.9(8) . .
C33 Y2 C29 C34 -122.8(9) . .
C28 Y2 C29 C34 -109.7(7) 2_655 .
C25 Y2 C29 C34 -27.4(7) . .
C33 C29 C30 C31 -0.6(9) . .
C34 C29 C30 C31 173.2(8) . .
Y2 C29 C30 C31 -67.7(5) . .
C33 C29 C30 C35 -168.8(8) . .
C34 C29 C30 C35 5.0(13) . .
Y2 C29 C30 C35 124.1(8) . .
C33 C29 C30 Y2 67.1(5) . .
C34 C29 C30 Y2 -119.1(8) . .
C39 Y2 C30 C31 -69.0(5) . .
C40 Y2 C30 C31 -86.5(5) . .
C41 Y2 C30 C31 -116.5(5) . .
C43 Y2 C30 C31 -96.7(6) . .
C32 Y2 C30 C31 37.2(5) . .
C29 Y2 C30 C31 114.0(7) . .
C42 Y2 C30 C31 -128.3(5) . .
C33 Y2 C30 C31 76.9(5) . .
C28 Y2 C30 C31 43.0(6) 2_655 .
C25 Y2 C30 C31 145.2(5) . .
C39 Y2 C30 C29 177.0(4) . .
C40 Y2 C30 C29 159.5(5) . .
C31 Y2 C30 C29 -114.0(7) . .
C41 Y2 C30 C29 129.5(5) . .
C43 Y2 C30 C29 149.4(5) . .
C32 Y2 C30 C29 -76.7(5) . .
C42 Y2 C30 C29 117.7(5) . .
C33 Y2 C30 C29 -37.0(4) . .
C28 Y2 C30 C29 -71.0(5) 2_655 .
C25 Y2 C30 C29 31.2(5) . .
C39 Y2 C30 C35 54.0(8) . .
C40 Y2 C30 C35 36.5(8) . .
C31 Y2 C30 C35 123.0(9) . .
C41 Y2 C30 C35 6.5(8) . .
C43 Y2 C30 C35 26.3(9) . .
C32 Y2 C30 C35 160.2(9) . .
C29 Y2 C30 C35 -123.0(9) . .
C42 Y2 C30 C35 -5.3(8) . .
C33 Y2 C30 C35 -160.1(8) . .
C28 Y2 C30 C35 166.0(7) 2_655 .
C25 Y2 C30 C35 -91.8(7) . .
C29 C30 C31 C32 0.1(9) . .
C35 C30 C31 C32 168.3(8) . .
Y2 C30 C31 C32 -68.3(5) . .
C29 C30 C31 C36 -169.0(8) . .
C35 C30 C31 C36 -0.8(14) . .
Y2 C30 C31 C36 122.6(8) . .
C29 C30 C31 Y2 68.4(5) . .
C35 C30 C31 Y2 -123.4(8) . .
C39 Y2 C31 C32 -124.9(5) . .
C40 Y2 C31 C32 -153.3(5) . .
C30 Y2 C31 C32 113.5(7) . .
C41 Y2 C31 C32 -177.8(5) . .
C43 Y2 C31 C32 -127.6(5) . .
C29 Y2 C31 C32 76.3(5) . .
C42 Y2 C31 C32 -171.4(5) . .
C33 Y2 C31 C32 36.1(5) . .
C28 Y2 C31 C32 -34.1(5) 2_655 .
C25 Y2 C31 C32 66.2(6) . .
C39 Y2 C31 C30 121.6(5) . .
C40 Y2 C31 C30 93.2(5) . .
C41 Y2 C31 C30 68.7(5) . .
C43 Y2 C31 C30 118.9(5) . .
C32 Y2 C31 C30 -113.5(7) . .
C29 Y2 C31 C30 -37.2(4) . .
C42 Y2 C31 C30 75.1(6) . .
C33 Y2 C31 C30 -77.4(5) . .
C28 Y2 C31 C30 -147.6(5) 2_655 .
C25 Y2 C31 C30 -47.3(6) . .
C39 Y2 C31 C36 -2.9(7) . .
C40 Y2 C31 C36 -31.4(7) . .
C30 Y2 C31 C36 -124.5(9) . .
C41 Y2 C31 C36 -55.8(7) . .
C43 Y2 C31 C36 -5.6(8) . .
C32 Y2 C31 C36 122.0(9) . .
C29 Y2 C31 C36 -161.7(8) . .
C42 Y2 C31 C36 -49.5(8) . .
C33 Y2 C31 C36 158.0(8) . .
C28 Y2 C31 C36 87.9(7) 2_655 .
C25 Y2 C31 C36 -171.9(6) . .
C30 C31 C32 C33 0.4(9) . .
C36 C31 C32 C33 169.9(8) . .
Y2 C31 C32 C33 -67.4(5) . .
C30 C31 C32 C37 -172.1(7) . .
C36 C31 C32 C37 -2.7(13) . .
Y2 C31 C32 C37 120.0(8) . .
C30 C31 C32 Y2 67.8(5) . .
C36 C31 C32 Y2 -122.8(8) . .
C39 Y2 C32 C33 -178.5(5) . .
C40 Y2 C32 C33 145.7(5) . .
C31 Y2 C32 C33 115.8(7) . .
C30 Y2 C32 C33 78.1(5) . .
C41 Y2 C32 C33 119.0(5) . .
C43 Y2 C32 C33 -155.2(5) . .
C29 Y2 C32 C33 37.7(4) . .
C42 Y2 C32 C33 141.5(11) . .
C28 Y2 C32 C33 -97.5(5) 2_655 .
C25 Y2 C32 C33 -16.0(5) . .
C39 Y2 C32 C31 65.7(6) . .
C40 Y2 C32 C31 30.0(6) . .
C30 Y2 C32 C31 -37.7(5) . .
C41 Y2 C32 C31 3.2(7) . .
C43 Y2 C32 C31 89.0(6) . .
C29 Y2 C32 C31 -78.1(5) . .
C42 Y2 C32 C31 25.7(14) . .
C33 Y2 C32 C31 -115.8(7) . .
C28 Y2 C32 C31 146.7(5) 2_655 .
C25 Y2 C32 C31 -131.8(5) . .
C39 Y2 C32 C37 -54.9(8) . .
C40 Y2 C32 C37 -90.6(7) . .
C31 Y2 C32 C37 -120.6(9) . .
C30 Y2 C32 C37 -158.3(8) . .
C41 Y2 C32 C37 -117.4(7) . .
C43 Y2 C32 C37 -31.5(9) . .
C29 Y2 C32 C37 161.3(8) . .
C42 Y2 C32 C37 -94.9(13) . .
C33 Y2 C32 C37 123.6(9) . .
C28 Y2 C32 C37 26.1(7) 2_655 .
C25 Y2 C32 C37 107.6(7) . .
C31 C32 C33 C29 -0.8(9) . .
C37 C32 C33 C29 171.6(7) . .
Y2 C32 C33 C29 -67.4(5) . .
C31 C32 C33 C38 -174.1(7) . .
C37 C32 C33 C38 -1.7(13) . .
Y2 C32 C33 C38 119.3(8) . .
C31 C32 C33 Y2 66.6(5) . .
C37 C32 C33 Y2 -121.0(8) . .
C30 C29 C33 C32 0.8(8) . .
C34 C29 C33 C32 -173.0(8) . .
Y2 C29 C33 C32 67.2(5) . .
C30 C29 C33 C38 174.3(7) . .
C34 C29 C33 C38 0.4(13) . .
Y2 C29 C33 C38 -119.3(7) . .
C30 C29 C33 Y2 -66.4(5) . .
C34 C29 C33 Y2 119.8(8) . .
C39 Y2 C33 C32 2.6(8) . .
C40 Y2 C33 C32 -50.8(7) . .
C31 Y2 C33 C32 -36.3(4) . .
C30 Y2 C33 C32 -76.6(5) . .
C41 Y2 C33 C32 -99.5(6) . .
C43 Y2 C33 C32 86.2(13) . .
C29 Y2 C33 C32 -113.6(6) . .
C42 Y2 C33 C32 -156.4(7) . .
C28 Y2 C33 C32 78.3(4) 2_655 .
C25 Y2 C33 C32 165.5(5) . .
C39 Y2 C33 C29 116.2(7) . .
C40 Y2 C33 C29 62.8(7) . .
C31 Y2 C33 C29 77.3(5) . .
C30 Y2 C33 C29 36.9(4) . .
C41 Y2 C33 C29 14.1(7) . .
C43 Y2 C33 C29 -160.2(11) . .
C32 Y2 C33 C29 113.6(6) . .
C42 Y2 C33 C29 -42.8(9) . .
C28 Y2 C33 C29 -168.1(5) 2_655 .
C25 Y2 C33 C29 -81.0(5) . .
C39 Y2 C33 C38 -121.1(8) . .
C40 Y2 C33 C38 -174.5(7) . .
C31 Y2 C33 C38 -160.1(8) . .
C30 Y2 C33 C38 159.6(8) . .
C41 Y2 C33 C38 136.8(7) . .
C43 Y2 C33 C38 -37.5(16) . .
C32 Y2 C33 C38 -123.7(9) . .
C29 Y2 C33 C38 122.7(9) . .
C42 Y2 C33 C38 79.9(10) . .
C28 Y2 C33 C38 -45.4(7) 2_655 .
C25 Y2 C33 C38 41.7(7) . .
C40 Y2 C39 C43 -111.4(8) . .
C31 Y2 C39 C43 -176.3(5) . .
C30 Y2 C39 C43 -146.3(5) . .
C41 Y2 C39 C43 -75.3(6) . .
C32 Y2 C39 C43 154.9(5) . .
C29 Y2 C39 C43 -143.4(6) . .
C42 Y2 C39 C43 -36.4(5) . .
C33 Y2 C39 C43 153.3(5) . .
C28 Y2 C39 C43 78.3(6) 2_655 .
C25 Y2 C39 C43 -6.0(7) . .
C31 Y2 C39 C40 -64.9(6) . .
C30 Y2 C39 C40 -34.9(6) . .
C41 Y2 C39 C40 36.1(5) . .
C43 Y2 C39 C40 111.4(8) . .
C32 Y2 C39 C40 -93.7(6) . .
C29 Y2 C39 C40 -32.0(8) . .
C42 Y2 C39 C40 75.0(6) . .
C33 Y2 C39 C40 -95.3(7) . .
C28 Y2 C39 C40 -170.3(6) 2_655 .
C25 Y2 C39 C40 105.4(6) . .
C40 Y2 C39 C44 124.1(16) . .
C31 Y2 C39 C44 59.2(13) . .
C30 Y2 C39 C44 89.2(13) . .
C41 Y2 C39 C44 160.2(15) . .
C43 Y2 C39 C44 -124.5(16) . .
C32 Y2 C39 C44 30.4(14) . .
C29 Y2 C39 C44 92.1(14) . .
C42 Y2 C39 C44 -160.9(15) . .
C33 Y2 C39 C44 28.9(17) . .
C28 Y2 C39 C44 -46.2(13) 2_655 .
C25 Y2 C39 C44 -130.5(12) . .
C43 C39 C40 C41 1.3(10) . .
C44 C39 C40 C41 175.2(10) . .
Y2 C39 C40 C41 -68.0(7) . .
C43 C39 C40 C45 -166.5(10) . .
C44 C39 C40 C45 7.4(16) . .
Y2 C39 C40 C45 124.2(10) . .
C43 C39 C40 Y2 69.3(6) . .
C44 C39 C40 Y2 -116.8(10) . .
C39 Y2 C40 C41 114.0(9) . .
C31 Y2 C40 C41 -127.9(6) . .
C30 Y2 C40 C41 -96.6(6) . .
C43 Y2 C40 C41 75.4(6) . .
C32 Y2 C40 C41 -142.8(6) . .
C29 Y2 C40 C41 -84.5(6) . .
C42 Y2 C40 C41 35.9(6) . .
C33 Y2 C40 C41 -116.6(6) . .
C28 Y2 C40 C41 125.0(6) 2_655 .
C25 Y2 C40 C41 16.8(8) . .
C31 Y2 C40 C39 118.1(6) . .
C30 Y2 C40 C39 149.4(6) . .
C41 Y2 C40 C39 -114.0(9) . .
C43 Y2 C40 C39 -38.7(6) . .
C32 Y2 C40 C39 103.2(6) . .
C29 Y2 C40 C39 161.5(5) . .
C42 Y2 C40 C39 -78.1(6) . .
C33 Y2 C40 C39 129.4(6) . .
C28 Y2 C40 C39 11.0(7) 2_655 .
C25 Y2 C40 C39 -97.3(6) . .
C39 Y2 C40 C45 -122.3(15) . .
C31 Y2 C40 C45 -4.2(13) . .
C30 Y2 C40 C45 27.1(13) . .
C41 Y2 C40 C45 123.7(16) . .
C43 Y2 C40 C45 -161.0(14) . .
C32 Y2 C40 C45 -19.1(14) . .
C29 Y2 C40 C45 39.1(14) . .
C42 Y2 C40 C45 159.5(15) . .
C33 Y2 C40 C45 7.1(15) . .
C28 Y2 C40 C45 -111.3(13) 2_655 .
C25 Y2 C40 C45 140.4(12) . .
C39 C40 C41 C42 -1.5(11) . .
C45 C40 C41 C42 166.3(10) . .
Y2 C40 C41 C42 -68.4(7) . .
C39 C40 C41 C46 -171.7(10) . .
C45 C40 C41 C46 -3.9(18) . .
Y2 C40 C41 C46 121.4(11) . .
C39 C40 C41 Y2 66.9(6) . .
C45 C40 C41 Y2 -125.3(11) . .
C39 Y2 C41 C40 -38.2(6) . .
C31 Y2 C41 C40 55.4(7) . .
C30 Y2 C41 C40 84.5(7) . .
C43 Y2 C41 C40 -79.4(7) . .
C32 Y2 C41 C40 53.7(8) . .
C29 Y2 C41 C40 110.2(6) . .
C42 Y2 C41 C40 -115.8(9) . .
C33 Y2 C41 C40 102.3(7) . .
C28 Y2 C41 C40 -74.7(7) 2_655 .
C25 Y2 C41 C40 -166.4(6) . .
C39 Y2 C41 C42 77.6(7) . .
C40 Y2 C41 C42 115.8(9) . .
C31 Y2 C41 C42 171.2(6) . .
C30 Y2 C41 C42 -159.7(6) . .
C43 Y2 C41 C42 36.4(6) . .
C32 Y2 C41 C42 169.5(5) . .
C29 Y2 C41 C42 -134.0(6) . .
C33 Y2 C41 C42 -141.9(6) . .
C28 Y2 C41 C42 41.1(8) 2_655 .
C25 Y2 C41 C42 -50.6(6) . .
C39 Y2 C41 C46 -161.1(12) . .
C40 Y2 C41 C46 -122.9(13) . .
C31 Y2 C41 C46 -67.5(11) . .
C30 Y2 C41 C46 -38.4(11) . .
C43 Y2 C41 C46 157.7(12) . .
C32 Y2 C41 C46 -69.2(12) . .
C29 Y2 C41 C46 -12.7(11) . .
C42 Y2 C41 C46 121.3(13) . .
C33 Y2 C41 C46 -20.6(13) . .
C28 Y2 C41 C46 162.4(10) 2_655 .
C25 Y2 C41 C46 70.7(11) . .
C40 C41 C42 C43 1.1(11) . .
C46 C41 C42 C43 171.5(10) . .
Y2 C41 C42 C43 -66.5(6) . .
C40 C41 C42 C47 -170.0(9) . .
C46 C41 C42 C47 0.4(16) . .
Y2 C41 C42 C47 122.4(9) . .
C40 C41 C42 Y2 67.6(7) . .
C46 C41 C42 Y2 -122.0(11) . .
C39 Y2 C42 C41 -77.4(7) . .
C40 Y2 C42 C41 -36.0(6) . .
C31 Y2 C42 C41 -12.2(8) . .
C30 Y2 C42 C41 24.0(7) . .
C43 Y2 C42 C41 -115.4(8) . .
C32 Y2 C42 C41 -31.0(15) . .
C29 Y2 C42 C41 61.3(7) . .
C33 Y2 C42 C41 89.1(9) . .
C28 Y2 C42 C41 -149.1(6) 2_655 .
C25 Y2 C42 C41 128.2(6) . .
C39 Y2 C42 C43 38.0(6) . .
C40 Y2 C42 C43 79.4(6) . .
C31 Y2 C42 C43 103.3(6) . .
C30 Y2 C42 C43 139.5(5) . .
C41 Y2 C42 C43 115.4(8) . .
C32 Y2 C42 C43 84.4(13) . .
C29 Y2 C42 C43 176.8(5) . .
C33 Y2 C42 C43 -155.4(6) . .
C28 Y2 C42 C43 -33.7(6) 2_655 .
C25 Y2 C42 C43 -116.3(6) . .
C39 Y2 C42 C47 160.7(12) . .
C40 Y2 C42 C47 -157.9(12) . .
C31 Y2 C42 C47 -134.1(10) . .
C30 Y2 C42 C47 -97.9(10) . .
C41 Y2 C42 C47 -121.9(13) . .
C43 Y2 C42 C47 122.7(12) . .
C32 Y2 C42 C47 -152.9(11) . .
C29 Y2 C42 C47 -60.6(11) . .
C33 Y2 C42 C47 -32.8(14) . .
C28 Y2 C42 C47 89.0(10) 2_655 .
C25 Y2 C42 C47 6.3(10) . .
C41 C42 C43 C39 -0.2(10) . .
C47 C42 C43 C39 170.8(9) . .
Y2 C42 C43 C39 -66.6(6) . .
C41 C42 C43 C48 -173.6(9) . .
C47 C42 C43 C48 -2.6(15) . .
Y2 C42 C43 C48 120.0(10) . .
C41 C42 C43 Y2 66.5(7) . .
C47 C42 C43 Y2 -122.5(9) . .
C40 C39 C43 C42 -0.7(10) . .
C44 C39 C43 C42 -174.6(10) . .
Y2 C39 C43 C42 68.3(6) . .
C40 C39 C43 C48 172.7(9) . .
C44 C39 C43 C48 -1.2(15) . .
Y2 C39 C43 C48 -118.4(9) . .
C40 C39 C43 Y2 -68.9(6) . .
C44 C39 C43 Y2 117.2(10) . .
C39 Y2 C43 C42 -113.8(8) . .
C40 Y2 C43 C42 -75.0(6) . .
C31 Y2 C43 C42 -108.7(6) . .
C30 Y2 C43 C42 -62.1(7) . .
C41 Y2 C43 C42 -35.9(5) . .
C32 Y2 C43 C42 -155.2(5) . .
C29 Y2 C43 C42 -7.6(12) . .
C33 Y2 C43 C42 139.6(11) . .
C28 Y2 C43 C42 147.6(6) 2_655 .
C25 Y2 C43 C42 61.1(5) . .
C40 Y2 C43 C39 38.8(6) . .
C31 Y2 C43 C39 5.1(7) . .
C30 Y2 C43 C39 51.8(8) . .
C41 Y2 C43 C39 77.9(6) . .
C32 Y2 C43 C39 -41.4(7) . .
C29 Y2 C43 C39 106.3(10) . .
C42 Y2 C43 C39 113.8(8) . .
C33 Y2 C43 C39 -106.5(12) . .
C28 Y2 C43 C39 -98.6(6) 2_655 .
C25 Y2 C43 C39 175.0(6) . .
C39 Y2 C43 C48 122.6(13) . .
C40 Y2 C43 C48 161.3(12) . .
C31 Y2 C43 C48 127.7(11) . .
C30 Y2 C43 C48 174.3(10) . .
C41 Y2 C43 C48 -159.6(12) . .
C32 Y2 C43 C48 81.2(12) . .
C29 Y2 C43 C48 -131.2(11) . .
C42 Y2 C43 C48 -123.6(13) . .
C33 Y2 C43 C48 16.0(19) . .
C28 Y2 C43 C48 24.0(11) 2_655 .
C25 Y2 C43 C48 -62.5(11) . .
C6S C1S C2S C3S 0.0 . .
C7S C1S C2S C3S 177.9(11) . .
C1S C2S C3S C4S 0.0 . .
C2S C3S C4S C5S 0.0 . .
C3S C4S C5S C6S 0.0 . .
C4S C5S C6S C1S 0.0 . .
C2S C1S C6S C5S 0.0 . .
C7S C1S C6S C5S -177.7(11) . .
C13S C8S C9S C13S 3(4) . 2_665
C14S C8S C9S C13S -172(2) . 2_665
C9S C8S C13S C9S -3(4) . 2_665
C14S C8S C13S C9S 173(2) . 2_665
C17S C15S C16S C17S -2.5(14) 2_565 .
C17S C15S C16S C18S 173(3) 2_565 .
C15S C16S C17S C15S 2.4(14) . 2_565
C18S C16S C17S C15S -173(2) . 2_565
