# Electronic Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2013

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#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
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#  fide research purposes only. It may contain copyright material
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data_importfpr517-2

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C33 H22 Cl2 Dy1 F18 N2 O12 S10'
_chemical_formula_weight         1534.6

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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.315(3)
_cell_length_b                   15.077(4)
_cell_length_c                   17.593(4)
_cell_angle_alpha                111.316(9)
_cell_angle_beta                 97.865(8)
_cell_angle_gamma                109.661(9)
_cell_volume                     2737.8(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    11659
_cell_measurement_theta_min      0.998
_cell_measurement_theta_max      27.485

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.21
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.861
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1504
_exptl_absorpt_coefficient_mu    1.960
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.539
_exptl_absorpt_correction_T_max  0.663
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            21939
_diffrn_reflns_av_R_equivalents  0.0382
_diffrn_reflns_av_sigmaI/netI    0.0610
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.55
_diffrn_reflns_theta_max         27.57
_reflns_number_total             12575
_reflns_number_gt                8468
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 All the distances involving the eight atoms of the sulfonate counter-anions have been restrained with distances of 1.38(2) and 1.46(2) for C-F and S-O bonds respectively 
 That procedure is necessary due to the disorder of this anion at 293 K

 Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F^2^, conventional R-factors R are based
 on F, with F set to zero for negative F^2^. The threshold expression of
 F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F^2^ are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.1535P)^2^+1.9677P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         12575
_refine_ls_number_parameters     713
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.1124
_refine_ls_R_factor_gt           0.0716
_refine_ls_wR_factor_ref         0.2374
_refine_ls_wR_factor_gt          0.1897
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_restrained_S_all      1.032
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
C1A C -0.024(6) -0.580(7) 0.281(4) 0.61(13) Uani 0.71(4) 1 d P A 1
H1AA H 0.0124 -0.5074 0.3213 0.908 Uiso 0.71(4) 1 calc PR A 1
H1AB H 0.0293 -0.5961 0.2494 0.908 Uiso 0.71(4) 1 calc PR A 1
H1AC H -0.0408 -0.6224 0.3119 0.908 Uiso 0.71(4) 1 calc PR A 1
C1B C -0.172(8) -0.517(5) 0.310(4) 0.15(3) Uani 0.29(4) 1 d P A 2
H1BA H -0.1057 -0.4489 0.3327 0.222 Uiso 0.29(4) 1 calc PR A 2
H1BB H -0.1720 -0.5432 0.3522 0.222 Uiso 0.29(4) 1 calc PR A 2
H1BC H -0.2464 -0.5107 0.2962 0.222 Uiso 0.29(4) 1 calc PR A 2
C2 C -0.3823(18) -0.4458(15) 0.1440(19) 0.208(13) Uani 1 1 d . . .
H2A H -0.3590 -0.4069 0.1117 0.312 Uiso 1 1 calc R . .
H2B H -0.3353 -0.4034 0.2029 0.312 Uiso 1 1 calc R . .
H2C H -0.4664 -0.4647 0.1395 0.312 Uiso 1 1 calc R . .
C3 C -0.2032(9) -0.5104(7) 0.1165(8) 0.082(3) Uani 1 1 d . . .
C4 C -0.1231(10) -0.5313(7) 0.1584(7) 0.083(3) Uani 1 1 d . A .
C5 C -0.0015(8) -0.4143(6) 0.0959(6) 0.065(2) Uani 1 1 d . A .
C6 C 0.0900(8) -0.3512(6) 0.0778(5) 0.0617(18) Uani 1 1 d . . .
C7 C 0.2117(8) -0.2231(7) 0.0242(5) 0.0615(18) Uani 1 1 d . . .
C8 C 0.2947(7) -0.2436(6) 0.0680(5) 0.0556(17) Uani 1 1 d . . .
C9 C 0.2401(12) -0.0252(8) 0.0461(6) 0.088(3) Uani 1 1 d . . .
H9A H 0.2349 0.0184 0.0178 0.106 Uiso 1 1 calc R . .
H9B H 0.1701 -0.0422 0.0664 0.106 Uiso 1 1 calc R . .
C10 C 0.3519(10) 0.0334(7) 0.1197(6) 0.073(2) Uani 1 1 d . . .
C11 C 0.3539(9) 0.0127(7) 0.1887(6) 0.066(2) Uani 1 1 d . . .
H11 H 0.2825 -0.0303 0.1927 0.079 Uiso 1 1 calc R . .
C12 C 0.4586(13) 0.1023(9) 0.1170(7) 0.101(4) Uani 1 1 d . . .
H12 H 0.4592 0.1183 0.0708 0.121 Uiso 1 1 calc R . .
C13 C 0.5624(12) 0.1463(11) 0.1826(8) 0.115(5) Uani 1 1 d . . .
H13 H 0.6323 0.1951 0.1821 0.138 Uiso 1 1 calc R . .
C14 C 0.5646(11) 0.1189(9) 0.2504(6) 0.094(3) Uani 1 1 d . . .
H14 H 0.6362 0.1443 0.2928 0.113 Uiso 1 1 calc R . .
C15 C 0.5180(8) -0.2358(7) 0.1453(5) 0.0625(19) Uani 1 1 d . . .
H15A H 0.4547 -0.2934 0.1475 0.075 Uiso 1 1 calc R . .
H15B H 0.5702 -0.2633 0.1175 0.075 Uiso 1 1 calc R . .
C16 C 0.5908(7) -0.1541(6) 0.2356(5) 0.0549(17) Uani 1 1 d . . .
C17 C 0.5340(6) -0.1319(6) 0.2991(4) 0.0490(15) Uani 1 1 d . . .
H17 H 0.4509 -0.1672 0.2861 0.059 Uiso 1 1 calc R . .
C18 C 0.7141(8) -0.1012(8) 0.2573(6) 0.073(2) Uani 1 1 d . . .
H18 H 0.7539 -0.1145 0.2160 0.088 Uiso 1 1 calc R . .
C19 C 0.7778(8) -0.0295(9) 0.3393(6) 0.077(3) Uani 1 1 d . . .
H19 H 0.8613 0.0052 0.3538 0.092 Uiso 1 1 calc R . .
C20 C 0.7205(8) -0.0076(8) 0.4010(6) 0.067(2) Uani 1 1 d . . .
H20 H 0.7641 0.0420 0.4568 0.080 Uiso 1 1 calc R . .
C21 C 0.8400(16) 0.3261(12) 0.4723(11) 0.117(5) Uani 1 1 d . . .
C22 C 0.7309(9) 0.2864(8) 0.5046(6) 0.079(3) Uani 1 1 d . . .
C23 C 0.7221(10) 0.3614(7) 0.5755(7) 0.082(3) Uani 1 1 d . . .
H23 H 0.7773 0.4311 0.5987 0.098 Uiso 1 1 calc R . .
C24 C 0.6320(9) 0.3321(6) 0.6109(6) 0.068(2) Uani 1 1 d . . .
C25 C 0.6332(12) 0.4145(8) 0.6938(7) 0.089(3) Uani 1 1 d . . .
C26 C 0.436(3) 0.352(3) 0.3816(13) 0.184(12) Uani 1 1 d . . .
C27 C 0.4048(12) 0.2791(8) 0.4195(6) 0.088(3) Uani 1 1 d . . .
C28 C 0.3258(14) 0.2870(11) 0.4664(9) 0.111(4) Uani 1 1 d . . .
H28 H 0.3010 0.3412 0.4775 0.133 Uiso 1 1 calc R . .
C29 C 0.2839(9) 0.2150(9) 0.4966(7) 0.085(3) Uani 1 1 d . . .
C30 C 0.1829(18) 0.2211(16) 0.5428(14) 0.127(6) Uani 1 1 d . . .
C31 C 0.0599(12) -0.1787(15) 0.3368(15) 0.174(10) Uani 1 1 d . . .
C32 C 0.2587(17) 0.2807(17) 1.0712(12) 0.217(14) Uani 1 1 d D . .
C33 C 1.013(3) 0.138(6) 0.189(3) 0.55(6) Uani 1 1 d . . .
H33A H 1.0634 0.2089 0.2001 0.660 Uiso 1 1 calc R . .
H33B H 0.9832 0.0941 0.1276 0.660 Uiso 1 1 calc R . .
N1 N 0.4582(7) 0.0536(6) 0.2520(5) 0.0668(18) Uani 1 1 d . . .
N2 N 0.5997(6) -0.0598(5) 0.3784(4) 0.0513(13) Uani 1 1 d . . .
O1 O 0.4586(6) 0.0248(5) 0.3143(3) 0.0718(16) Uani 1 1 d . . .
O2 O 0.5431(4) -0.0336(4) 0.4387(3) 0.0493(10) Uani 1 1 d . . .
O3 O 0.6653(6) 0.1931(5) 0.4636(4) 0.0708(15) Uani 1 1 d . . .
O4 O 0.5466(6) 0.2453(4) 0.5849(4) 0.0656(14) Uani 1 1 d . . .
O5 O 0.4548(7) 0.2166(5) 0.4042(4) 0.0784(18) Uani 1 1 d . . .
O6 O 0.3075(6) 0.1410(5) 0.4939(4) 0.0747(16) Uani 1 1 d . . .
O7 O 0.2789(6) -0.0577(5) 0.3899(4) 0.0791(18) Uani 1 1 d . . .
O8 O 0.1604(14) -0.1392(8) 0.2354(6) 0.167(5) Uani 1 1 d . . .
O9 O 0.2219(8) -0.2400(7) 0.2982(6) 0.110(3) Uani 1 1 d . . .
O10 O 0.2909(9) 0.1438(8) 0.9572(6) 0.118(3) Uani 1 1 d D . .
O11 O 0.201(2) 0.2420(17) 0.9200(11) 0.262(12) Uani 1 1 d D . .
O12 O 0.0985(13) 0.1419(15) 0.9727(17) 0.38(2) Uani 1 1 d D . .
F1 F 0.9258(13) 0.4027(12) 0.5179(10) 0.283(11) Uani 1 1 d . . .
F2 F 0.8073(12) 0.3265(14) 0.4013(10) 0.223(7) Uani 1 1 d . . .
F3 F 0.8840(12) 0.2573(13) 0.4453(11) 0.213(6) Uani 1 1 d . . .
F4 F 0.7248(10) 0.5071(6) 0.7226(6) 0.151(4) Uani 1 1 d . . .
F5 F 0.6340(9) 0.3856(5) 0.7544(4) 0.125(3) Uani 1 1 d . . .
F6 F 0.5376(9) 0.4338(7) 0.6829(5) 0.132(3) Uani 1 1 d . . .
F7 F 0.5615(17) 0.4099(11) 0.4098(12) 0.220(7) Uani 1 1 d . . .
F8 F 0.3977(18) 0.4252(11) 0.3995(11) 0.250(8) Uani 1 1 d . . .
F9 F 0.4140(18) 0.3086(10) 0.3003(7) 0.240(8) Uani 1 1 d . . .
F10 F 0.1565(14) 0.2968(13) 0.5504(12) 0.240(8) Uani 1 1 d . . .
F11 F 0.2144(14) 0.2300(13) 0.6162(10) 0.205(6) Uani 1 1 d . . .
F12 F 0.0861(12) 0.1368(14) 0.5042(13) 0.289(12) Uani 1 1 d . . .
F13 F 0.0287(8) -0.0940(9) 0.3504(8) 0.173(5) Uani 1 1 d . . .
F14 F 0.0849(12) -0.1958(11) 0.4105(7) 0.195(6) Uani 1 1 d . . .
F15 F -0.0315(7) -0.2568(8) 0.2734(7) 0.187(5) Uani 1 1 d . . .
F16 F 0.3697(15) 0.3479(17) 1.076(3) 0.56(3) Uani 1 1 d D . .
F17 F 0.278(2) 0.246(2) 1.1270(8) 0.340(16) Uani 1 1 d D . .
F18 F 0.2019(10) 0.3406(10) 1.0989(6) 0.186(5) Uani 1 1 d D . .
S1 S -0.1553(4) -0.6067(3) 0.2137(3) 0.1187(12) Uani 1 1 d . . .
S2 S -0.3571(3) -0.5605(3) 0.1034(3) 0.1216(13) Uani 1 1 d . . .
S3 S -0.1486(2) -0.4324(2) 0.0651(2) 0.0800(7) Uani 1 1 d . . .
S4 S 0.0250(2) -0.48025(18) 0.15399(16) 0.0732(6) Uani 1 1 d . . .
S5 S 0.23761(19) -0.33198(17) 0.10876(14) 0.0620(5) Uani 1 1 d . . .
S6 S 0.0634(2) -0.28684(18) 0.01918(15) 0.0690(5) Uani 1 1 d . . .
S7 S 0.2409(3) -0.1464(2) -0.03014(15) 0.0782(6) Uani 1 1 d . . .
S8 S 0.4492(2) -0.18511(19) 0.08067(14) 0.0675(5) Uani 1 1 d . . .
S9 S 0.1968(3) -0.1539(2) 0.3188(2) 0.0969(9) Uani 1 1 d . . .
S10 S 0.2202(5) 0.2013(4) 0.9719(2) 0.1237(15) Uani 1 1 d D . .
Dy1 Dy 0.46236(3) 0.09493(3) 0.45316(2) 0.05195(15) Uani 1 1 d . . .
Cl1 Cl 0.9043(13) 0.1337(11) 0.2294(9) 0.337(7) Uani 1 1 d . . .
Cl2 Cl 1.0946(14) 0.0872(14) 0.2421(9) 0.405(9) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
C1A 0.35(9) 0.74(16) 0.32(7) 0.43(10) -0.19(7) -0.34(11)
C1B 0.25(9) 0.12(4) 0.10(4) 0.07(4) 0.10(5) 0.08(5)
C2 0.156(17) 0.156(16) 0.40(4) 0.16(2) 0.17(2) 0.093(14)
C3 0.071(6) 0.057(5) 0.094(7) 0.018(5) 0.031(5) 0.015(4)
C4 0.086(7) 0.054(5) 0.080(7) 0.019(5) 0.025(5) 0.008(5)
C5 0.067(5) 0.055(4) 0.065(5) 0.020(4) 0.017(4) 0.024(4)
C6 0.071(5) 0.052(4) 0.056(4) 0.020(4) 0.016(4) 0.025(4)
C7 0.074(5) 0.064(4) 0.045(4) 0.025(4) 0.015(4) 0.027(4)
C8 0.065(4) 0.059(4) 0.037(3) 0.018(3) 0.014(3) 0.021(3)
C9 0.148(10) 0.079(6) 0.065(6) 0.044(5) 0.023(6) 0.067(7)
C10 0.117(8) 0.058(4) 0.057(5) 0.035(4) 0.028(5) 0.039(5)
C11 0.088(6) 0.067(5) 0.061(5) 0.039(4) 0.032(4) 0.038(4)
C12 0.146(11) 0.082(7) 0.064(6) 0.049(6) 0.035(7) 0.017(7)
C13 0.114(9) 0.113(9) 0.074(7) 0.047(7) 0.032(7) -0.011(7)
C14 0.100(8) 0.093(7) 0.048(5) 0.022(5) 0.016(5) 0.005(6)
C15 0.068(5) 0.075(5) 0.042(4) 0.019(4) 0.019(3) 0.035(4)
C16 0.070(5) 0.063(4) 0.039(3) 0.023(3) 0.020(3) 0.034(4)
C17 0.052(4) 0.055(4) 0.041(3) 0.022(3) 0.015(3) 0.021(3)
C18 0.070(5) 0.091(6) 0.057(5) 0.028(5) 0.034(4) 0.031(5)
C19 0.053(5) 0.113(8) 0.061(5) 0.036(5) 0.020(4) 0.033(5)
C20 0.062(5) 0.085(6) 0.051(4) 0.029(4) 0.018(4) 0.028(4)
C21 0.129(12) 0.095(9) 0.111(11) 0.052(8) 0.056(10) 0.015(9)
C22 0.085(6) 0.067(5) 0.068(6) 0.038(5) 0.016(5) 0.006(5)
C23 0.092(7) 0.050(4) 0.075(6) 0.023(4) 0.015(5) 0.007(4)
C24 0.097(6) 0.047(4) 0.053(5) 0.023(4) 0.015(4) 0.021(4)
C25 0.124(9) 0.068(6) 0.058(6) 0.021(5) 0.008(6) 0.035(6)
C26 0.27(3) 0.36(4) 0.130(14) 0.18(2) 0.124(17) 0.26(3)
C27 0.140(10) 0.074(6) 0.050(5) 0.033(5) 0.009(5) 0.048(6)
C28 0.161(13) 0.116(9) 0.100(9) 0.058(8) 0.041(9) 0.096(10)
C29 0.077(6) 0.093(7) 0.091(7) 0.030(6) 0.028(5) 0.053(6)
C30 0.138(14) 0.161(15) 0.129(13) 0.062(12) 0.077(12) 0.101(13)
C31 0.060(7) 0.136(13) 0.19(2) -0.035(13) 0.004(9) 0.020(8)
C32 0.19(2) 0.32(3) 0.125(16) 0.014(19) -0.010(14) 0.19(2)
C33 0.18(3) 1.28(19) 0.49(8) 0.69(11) 0.16(4) 0.29(6)
N1 0.090(5) 0.069(4) 0.054(4) 0.036(3) 0.031(4) 0.032(4)
N2 0.058(4) 0.061(3) 0.045(3) 0.027(3) 0.023(3) 0.030(3)
O1 0.125(5) 0.068(3) 0.037(3) 0.030(3) 0.030(3) 0.046(4)
O2 0.064(3) 0.052(3) 0.041(2) 0.024(2) 0.024(2) 0.027(2)
O3 0.072(4) 0.069(4) 0.070(4) 0.031(3) 0.028(3) 0.024(3)
O4 0.083(4) 0.057(3) 0.049(3) 0.020(3) 0.015(3) 0.027(3)
O5 0.125(6) 0.073(4) 0.067(4) 0.045(3) 0.036(4) 0.057(4)
O6 0.080(4) 0.083(4) 0.082(4) 0.042(4) 0.035(3) 0.047(3)
O7 0.067(4) 0.076(4) 0.057(3) 0.010(3) 0.016(3) 0.009(3)
O8 0.262(14) 0.115(7) 0.063(5) 0.040(5) 0.047(7) 0.011(8)
O9 0.116(6) 0.091(5) 0.106(6) 0.017(5) 0.032(5) 0.053(5)
O10 0.162(8) 0.152(8) 0.130(7) 0.094(7) 0.088(7) 0.117(7)
O11 0.55(4) 0.32(2) 0.191(14) 0.189(16) 0.22(2) 0.37(3)
O12 0.159(15) 0.30(3) 0.42(4) -0.11(2) -0.043(18) 0.141(17)
F1 0.189(12) 0.201(12) 0.203(13) -0.022(10) 0.097(11) -0.103(10)
F2 0.171(10) 0.36(2) 0.233(14) 0.231(16) 0.114(10) 0.087(12)
F3 0.160(10) 0.247(15) 0.269(17) 0.137(14) 0.144(11) 0.070(10)
F4 0.205(9) 0.068(4) 0.106(6) -0.002(4) 0.044(6) 0.017(5)
F5 0.241(9) 0.092(4) 0.059(4) 0.036(3) 0.039(5) 0.088(6)
F6 0.194(9) 0.130(6) 0.086(5) 0.030(4) 0.032(5) 0.107(7)
F7 0.312(18) 0.185(11) 0.285(19) 0.189(14) 0.147(16) 0.128(13)
F8 0.48(2) 0.222(12) 0.270(16) 0.196(13) 0.203(17) 0.259(16)
F9 0.47(2) 0.176(10) 0.101(7) 0.099(7) 0.064(11) 0.133(14)
F10 0.276(16) 0.264(15) 0.36(2) 0.176(15) 0.213(16) 0.225(15)
F11 0.233(14) 0.288(17) 0.185(12) 0.108(13) 0.147(12) 0.174(14)
F12 0.124(9) 0.256(17) 0.31(2) -0.040(15) 0.109(11) 0.038(10)
F13 0.096(6) 0.181(9) 0.207(11) 0.030(8) 0.049(6) 0.075(6)
F14 0.195(11) 0.220(12) 0.111(7) 0.100(8) 0.018(7) 0.001(9)
F15 0.079(5) 0.174(9) 0.149(8) -0.029(7) 0.024(5) -0.015(5)
F16 0.095(10) 0.27(2) 0.88(8) -0.09(3) 0.01(2) 0.024(12)
F17 0.56(4) 0.55(4) 0.096(8) 0.126(15) 0.087(14) 0.46(3)
F18 0.189(10) 0.219(11) 0.100(6) -0.013(7) 0.009(6) 0.132(9)
S1 0.131(3) 0.0858(19) 0.121(3) 0.055(2) 0.044(2) 0.0102(19)
S2 0.0813(19) 0.0853(19) 0.175(4) 0.037(2) 0.057(2) 0.0224(15)
S3 0.0701(14) 0.0701(13) 0.0994(19) 0.0335(13) 0.0251(13) 0.0331(11)
S4 0.0759(14) 0.0653(12) 0.0669(13) 0.0326(11) 0.0123(11) 0.0162(10)
S5 0.0655(12) 0.0671(11) 0.0560(11) 0.0329(10) 0.0142(9) 0.0256(10)
S6 0.0752(14) 0.0713(13) 0.0657(13) 0.0318(11) 0.0141(10) 0.0375(11)
S7 0.1069(18) 0.0784(14) 0.0538(12) 0.0386(11) 0.0183(12) 0.0354(13)
S8 0.0712(13) 0.0800(13) 0.0531(11) 0.0366(10) 0.0187(9) 0.0256(11)
S9 0.0671(15) 0.0740(15) 0.106(2) 0.0111(15) -0.0021(14) 0.0218(12)
S10 0.187(4) 0.187(4) 0.0811(19) 0.072(2) 0.065(2) 0.149(4)
Dy1 0.0659(3) 0.0520(2) 0.0419(2) 0.02307(16) 0.01821(15) 0.02562(17)
Cl1 0.434(18) 0.457(19) 0.378(16) 0.317(16) 0.239(14) 0.285(16)
Cl2 0.403(19) 0.53(2) 0.279(14) 0.111(16) 0.031(13) 0.297(19)

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1A S1 1.69(6) . ?
C1B S1 1.84(5) . ?
C2 S2 1.766(18) . ?
C3 C4 1.340(16) . ?
C3 S2 1.734(10) . ?
C3 S3 1.748(11) . ?
C4 S1 1.734(11) . ?
C4 S4 1.750(11) . ?
C5 C6 1.368(12) . ?
C5 S3 1.715(9) . ?
C5 S4 1.734(9) . ?
C6 S5 1.717(9) . ?
C6 S6 1.721(9) . ?
C7 C8 1.381(11) . ?
C7 S6 1.726(9) . ?
C7 S7 1.732(8) . ?
C8 S5 1.728(8) . ?
C8 S8 1.749(8) . ?
C9 C10 1.489(15) . ?
C9 S7 1.836(10) . ?
C10 C11 1.357(11) . ?
C10 C12 1.393(15) . ?
C11 N1 1.359(12) . ?
C12 C13 1.369(18) . ?
C13 C14 1.396(15) . ?
C14 N1 1.361(13) . ?
C15 C16 1.512(11) . ?
C15 S8 1.845(9) . ?
C16 C18 1.375(12) . ?
C16 C17 1.396(9) . ?
C17 N2 1.334(9) . ?
C18 C19 1.361(13) . ?
C19 C20 1.374(12) . ?
C20 N2 1.347(11) . ?
C21 F1 1.169(18) . ?
C21 F2 1.261(19) . ?
C21 F3 1.30(2) . ?
C21 C22 1.550(17) . ?
C22 O3 1.221(11) . ?
C22 C23 1.391(15) . ?
C23 C24 1.369(15) . ?
C24 O4 1.239(10) . ?
C24 C25 1.529(14) . ?
C25 F5 1.290(13) . ?
C25 F6 1.309(15) . ?
C25 F4 1.322(14) . ?
C26 F9 1.28(2) . ?
C26 F8 1.29(2) . ?
C26 F7 1.40(3) . ?
C26 C27 1.46(2) . ?
C27 O5 1.261(12) . ?
C27 C28 1.366(18) . ?
C28 C29 1.358(18) . ?
C29 O6 1.232(12) . ?
C29 C30 1.586(17) . ?
C30 F11 1.24(2) . ?
C30 F10 1.255(19) . ?
C30 F12 1.28(2) . ?
C31 F15 1.306(16) . ?
C31 F13 1.40(2) . ?
C31 F14 1.43(3) . ?
C31 S9 1.700(17) . ?
C32 F17 1.300(16) . ?
C32 F18 1.319(14) . ?
C32 F16 1.369(18) . ?
C32 S10 1.607(19) . ?
C33 Cl1 1.59(4) . ?
C33 Cl2 1.80(4) . ?
N1 O1 1.317(8) . ?
N2 O2 1.360(7) . ?
O1 Dy1 2.269(5) . ?
O2 Dy1 2.398(4) 2_656 ?
O2 Dy1 2.412(5) . ?
O3 Dy1 2.378(6) . ?
O4 Dy1 2.351(6) . ?
O5 Dy1 2.315(5) . ?
O6 Dy1 2.353(6) . ?
O7 S9 1.428(7) . ?
O7 Dy1 2.364(6) . ?
O8 S9 1.589(11) . ?
O9 S9 1.368(9) . ?
O10 S10 1.409(7) . ?
O11 S10 1.307(11) . ?
O12 S10 1.469(17) . ?
Dy1 O2 2.398(4) 2_656 ?

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
_geom_angle_publ_flag
C4 C3 S2 125.6(9) . . ?
C4 C3 S3 116.8(8) . . ?
S2 C3 S3 117.5(7) . . ?
C3 C4 S1 125.4(8) . . ?
C3 C4 S4 116.6(8) . . ?
S1 C4 S4 118.0(7) . . ?
C6 C5 S3 123.2(7) . . ?
C6 C5 S4 121.6(7) . . ?
S3 C5 S4 115.2(5) . . ?
C5 C6 S5 123.6(7) . . ?
C5 C6 S6 121.6(7) . . ?
S5 C6 S6 114.8(5) . . ?
C8 C7 S6 115.7(6) . . ?
C8 C7 S7 126.5(7) . . ?
S6 C7 S7 117.7(5) . . ?
C7 C8 S5 116.3(6) . . ?
C7 C8 S8 122.1(6) . . ?
S5 C8 S8 121.5(5) . . ?
C10 C9 S7 110.4(7) . . ?
C11 C10 C12 118.5(10) . . ?
C11 C10 C9 119.4(9) . . ?
C12 C10 C9 121.8(9) . . ?
C10 C11 N1 121.3(9) . . ?
C13 C12 C10 119.9(9) . . ?
C12 C13 C14 120.9(10) . . ?
N1 C14 C13 117.5(11) . . ?
C16 C15 S8 113.5(6) . . ?
C18 C16 C17 118.6(7) . . ?
C18 C16 C15 121.0(7) . . ?
C17 C16 C15 120.4(7) . . ?
N2 C17 C16 119.6(7) . . ?
C19 C18 C16 119.8(7) . . ?
C18 C19 C20 121.0(9) . . ?
N2 C20 C19 118.3(8) . . ?
F1 C21 F2 110.6(16) . . ?
F1 C21 F3 103(2) . . ?
F2 C21 F3 96.1(15) . . ?
F1 C21 C22 120.5(14) . . ?
F2 C21 C22 111.7(15) . . ?
F3 C21 C22 112.1(12) . . ?
O3 C22 C23 129.7(10) . . ?
O3 C22 C21 114.4(11) . . ?
C23 C22 C21 115.9(10) . . ?
C24 C23 C22 119.8(8) . . ?
O4 C24 C23 128.6(9) . . ?
O4 C24 C25 113.3(9) . . ?
C23 C24 C25 118.0(9) . . ?
F5 C25 F6 106.8(12) . . ?
F5 C25 F4 107.8(10) . . ?
F6 C25 F4 104.1(10) . . ?
F5 C25 C24 112.6(9) . . ?
F6 C25 C24 111.1(9) . . ?
F4 C25 C24 113.8(11) . . ?
F9 C26 F8 106.8(13) . . ?
F9 C26 F7 102.4(18) . . ?
F8 C26 F7 102(3) . . ?
F9 C26 C27 115(2) . . ?
F8 C26 C27 119.8(15) . . ?
F7 C26 C27 109.0(12) . . ?
O5 C27 C28 128.8(10) . . ?
O5 C27 C26 115.0(12) . . ?
C28 C27 C26 116.2(11) . . ?
C29 C28 C27 119.2(10) . . ?
O6 C29 C28 132.0(11) . . ?
O6 C29 C30 110.7(12) . . ?
C28 C29 C30 117.3(11) . . ?
F11 C30 F10 105.9(18) . . ?
F11 C30 F12 105(2) . . ?
F10 C30 F12 108.2(18) . . ?
F11 C30 C29 111.4(15) . . ?
F10 C30 C29 114.4(16) . . ?
F12 C30 C29 111.2(15) . . ?
F15 C31 F13 102.8(16) . . ?
F15 C31 F14 114(2) . . ?
F13 C31 F14 114.3(17) . . ?
F15 C31 S9 115.4(14) . . ?
F13 C31 S9 111.6(16) . . ?
F14 C31 S9 98.9(12) . . ?
F17 C32 F18 107.3(17) . . ?
F17 C32 F16 106(2) . . ?
F18 C32 F16 105.0(19) . . ?
F17 C32 S10 117.8(15) . . ?
F18 C32 S10 120.9(12) . . ?
F16 C32 S10 97.5(17) . . ?
Cl1 C33 Cl2 103(2) . . ?
O1 N1 C11 119.6(7) . . ?
O1 N1 C14 118.5(8) . . ?
C11 N1 C14 121.8(8) . . ?
C17 N2 C20 122.7(6) . . ?
C17 N2 O2 119.4(6) . . ?
C20 N2 O2 117.9(6) . . ?
N1 O1 Dy1 136.8(5) . . ?
N2 O2 Dy1 122.9(4) . 2_656 ?
N2 O2 Dy1 121.1(4) . . ?
Dy1 O2 Dy1 115.61(18) 2_656 . ?
C22 O3 Dy1 130.9(7) . . ?
C24 O4 Dy1 132.8(6) . . ?
C27 O5 Dy1 133.5(7) . . ?
C29 O6 Dy1 130.7(7) . . ?
S9 O7 Dy1 151.1(4) . . ?
C1A S1 C4 108.6(12) . . ?
C1A S1 C1B 84(4) . . ?
C4 S1 C1B 101.5(16) . . ?
C3 S2 C2 102.4(7) . . ?
C5 S3 C3 95.9(5) . . ?
C5 S4 C4 95.4(5) . . ?
C6 S5 C8 96.4(4) . . ?
C6 S6 C7 96.7(4) . . ?
C7 S7 C9 101.1(4) . . ?
C8 S8 C15 104.4(4) . . ?
O9 S9 O7 119.3(5) . . ?
O9 S9 O8 109.8(7) . . ?
O7 S9 O8 112.6(5) . . ?
O9 S9 C31 111.3(9) . . ?
O7 S9 C31 105.6(6) . . ?
O8 S9 C31 95.7(11) . . ?
O11 S10 O10 118.5(8) . . ?
O11 S10 O12 103.8(15) . . ?
O10 S10 O12 114.0(10) . . ?
O11 S10 C32 114.0(11) . . ?
O10 S10 C32 111.1(7) . . ?
O12 S10 C32 92.2(12) . . ?
O1 Dy1 O5 74.2(2) . . ?
O1 Dy1 O4 146.3(2) . . ?
O5 Dy1 O4 81.4(2) . . ?
O1 Dy1 O6 121.7(2) . . ?
O5 Dy1 O6 73.4(2) . . ?
O4 Dy1 O6 71.1(2) . . ?
O1 Dy1 O7 77.2(2) . . ?
O5 Dy1 O7 111.3(3) . . ?
O4 Dy1 O7 134.3(2) . . ?
O6 Dy1 O7 71.4(2) . . ?
O1 Dy1 O3 79.3(2) . . ?
O5 Dy1 O3 74.6(2) . . ?
O4 Dy1 O3 71.9(2) . . ?
O6 Dy1 O3 133.7(2) . . ?
O7 Dy1 O3 152.9(2) . . ?
O1 Dy1 O2 134.39(18) . 2_656 ?
O5 Dy1 O2 151.1(2) . 2_656 ?
O4 Dy1 O2 73.71(18) . 2_656 ?
O6 Dy1 O2 84.56(19) . 2_656 ?
O7 Dy1 O2 77.8(2) . 2_656 ?
O3 Dy1 O2 110.4(2) . 2_656 ?
O1 Dy1 O2 74.52(18) . . ?
O5 Dy1 O2 142.45(19) . . ?
O4 Dy1 O2 115.81(18) . . ?
O6 Dy1 O2 142.39(19) . . ?
O7 Dy1 O2 81.2(2) . . ?
O3 Dy1 O2 79.64(19) . . ?
O2 Dy1 O2 64.39(18) 2_656 . ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        27.57
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         2.073
_refine_diff_density_min         -2.383
_refine_diff_density_rms         0.243
_database_code_depnum_ccdc_archive 'CCDC 959349'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_import-fpr519-2

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C33 H22 Cl2 F18 N2 O12 S10 Yb'
_chemical_formula_weight         1545.07

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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Yb Yb -0.3850 5.5486 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.2410(3)
_cell_length_b                   14.6820(4)
_cell_length_c                   17.4120(4)
_cell_angle_alpha                104.0650(10)
_cell_angle_beta                 106.1300(10)
_cell_angle_gamma                109.7300(10)
_cell_volume                     2626.03(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9918
_cell_measurement_theta_min      2.39
_cell_measurement_theta_max      24.51

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.954
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1512
_exptl_absorpt_coefficient_mu    2.401
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.601
_exptl_absorpt_correction_T_max  0.681
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            40683
_diffrn_reflns_av_R_equivalents  0.0390
_diffrn_reflns_av_sigmaI/netI    0.0476
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.31
_diffrn_reflns_theta_max         27.52
_reflns_number_total             11441
_reflns_number_gt                8620
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F^2^, conventional R-factors R are based
 on F, with F set to zero for negative F^2^. The threshold expression of
 F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F^2^ are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.1317P)^2^+22.2163P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         11441
_refine_ls_number_parameters     717
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1066
_refine_ls_R_factor_gt           0.0765
_refine_ls_wR_factor_ref         0.2446
_refine_ls_wR_factor_gt          0.2073
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_restrained_S_all      1.073
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
S1A S 0.1354(8) -0.3599(6) 0.7674(6) 0.0657(13) Uani 0.465(7) 1 d P A 4
C1A C 0.246(4) -0.390(3) 0.736(2) 0.097(8) Uani 0.465(7) 1 d P A 4
H1AA H 0.2079 -0.4626 0.7001 0.145 Uiso 0.465(7) 1 calc PR A 4
H1AB H 0.3169 -0.3747 0.7855 0.145 Uiso 0.465(7) 1 calc PR A 4
H1AC H 0.2729 -0.3489 0.7033 0.145 Uiso 0.465(7) 1 calc PR A 4
S1B S 0.1382(7) -0.3126(5) 0.7935(5) 0.0657(13) Uani 0.535(7) 1 d P A 3
C1B C 0.013(3) -0.318(2) 0.709(2) 0.097(8) Uani 0.535(7) 1 d P A 3
H1BA H -0.0516 -0.3883 0.6793 0.145 Uiso 0.535(7) 1 calc PR A 3
H1BB H 0.0438 -0.2936 0.6694 0.145 Uiso 0.535(7) 1 calc PR A 3
H1BC H -0.0227 -0.2742 0.7326 0.145 Uiso 0.535(7) 1 calc PR A 3
S2A S 0.0122(7) -0.2240(7) 0.8623(5) 0.0636(11) Uani 0.441(6) 1 d P B 1
C2A C -0.076(4) -0.217(4) 0.769(4) 0.126(12) Uani 0.441(6) 1 d P B 1
H2AA H -0.0539 -0.2455 0.7229 0.189 Uiso 0.441(6) 1 calc PR B 1
H2AB H -0.0580 -0.1457 0.7778 0.189 Uiso 0.441(6) 1 calc PR B 1
H2AC H -0.1639 -0.2565 0.7547 0.189 Uiso 0.441(6) 1 calc PR B 1
S2B S 0.0509(5) -0.1465(5) 0.9104(4) 0.0636(11) Uani 0.559(6) 1 d P B 2
C2B C -0.018(3) -0.073(3) 0.860(3) 0.126(12) Uani 0.559(6) 1 d P B 2
H2BA H -0.0368 -0.0995 0.7991 0.189 Uiso 0.559(6) 1 calc PR B 2
H2BB H 0.0415 -0.0010 0.8847 0.189 Uiso 0.559(6) 1 calc PR B 2
H2BC H -0.0936 -0.0806 0.8685 0.189 Uiso 0.559(6) 1 calc PR B 2
C3 C 0.1767(17) -0.144(2) 0.8772(16) 0.129(10) Uani 1 1 d . . .
C4 C 0.2206(14) -0.2030(18) 0.8380(12) 0.101(7) Uani 1 1 d . A .
C5 C 0.3958(14) -0.0192(13) 0.9000(8) 0.067(4) Uani 1 1 d . . .
C6 C 0.5085(14) 0.0677(11) 0.9203(7) 0.061(3) Uani 1 1 d . B .
C7 C 0.6837(19) 0.2513(11) 0.9732(7) 0.083(5) Uani 1 1 d . B .
C8 C 0.7263(13) 0.1889(8) 0.9320(6) 0.058(3) Uani 1 1 d . B .
C9 C 0.694(3) 0.4345(13) 0.9508(9) 0.174(15) Uani 1 1 d . B .
H9A H 0.6025 0.3963 0.9287 0.209 Uiso 1 1 calc R . .
H9B H 0.7163 0.5079 0.9785 0.209 Uiso 1 1 calc R . .
C10 C 0.737(3) 0.4190(11) 0.8782(8) 0.153(12) Uani 1 1 d . . .
C11 C 0.665(2) 0.3246(10) 0.8082(7) 0.097(6) Uani 1 1 d . . .
H11 H 0.5880 0.2781 0.8042 0.116 Uiso 1 1 calc R . .
C12 C 0.846(3) 0.4876(12) 0.8798(9) 0.204(19) Uani 1 1 d . . .
H12 H 0.8942 0.5520 0.9250 0.245 Uiso 1 1 calc R . .
C13 C 0.885(3) 0.4612(14) 0.8135(10) 0.207(19) Uani 1 1 d . . .
H13 H 0.9594 0.5084 0.8143 0.248 Uiso 1 1 calc R . .
C14 C 0.815(2) 0.3641(12) 0.7454(10) 0.133(10) Uani 1 1 d . . .
H14 H 0.8417 0.3448 0.7018 0.159 Uiso 1 1 calc R . .
C15 C 0.8751(10) 0.1172(9) 0.8573(6) 0.055(3) Uani 1 1 d . B .
H15A H 0.9560 0.1178 0.8853 0.066 Uiso 1 1 calc R . .
H15B H 0.8099 0.0563 0.8565 0.066 Uiso 1 1 calc R . .
C16 C 0.8559(9) 0.1076(8) 0.7656(6) 0.048(2) Uani 1 1 d . . .
C17 C 0.7333(9) 0.0650(7) 0.7014(5) 0.0381(19) Uani 1 1 d . . .
H17 H 0.6625 0.0413 0.7142 0.046 Uiso 1 1 calc R . .
C18 C 0.9575(10) 0.1390(11) 0.7428(8) 0.069(4) Uani 1 1 d . . .
H18 H 1.0390 0.1663 0.7841 0.083 Uiso 1 1 calc R . .
C19 C 0.9394(10) 0.1304(12) 0.6593(9) 0.074(4) Uani 1 1 d . . .
H19 H 1.0087 0.1516 0.6446 0.089 Uiso 1 1 calc R . .
C20 C 0.8186(9) 0.0903(10) 0.5969(7) 0.058(3) Uani 1 1 d . . .
H20 H 0.8054 0.0849 0.5404 0.069 Uiso 1 1 calc R . .
C21 C 0.8745(18) 0.3520(17) 0.5263(12) 0.132(10) Uani 1 1 d . . .
C22 C 0.7279(15) 0.2844(11) 0.4945(9) 0.093(6) Uani 1 1 d . . .
C23 C 0.6495(15) 0.2907(9) 0.4246(8) 0.094(6) Uani 1 1 d . . .
H23 H 0.6826 0.3394 0.4018 0.113 Uiso 1 1 calc R . .
C24 C 0.5227(14) 0.2259(8) 0.3879(7) 0.063(3) Uani 1 1 d . . .
C25 C 0.4391(16) 0.2284(9) 0.3040(7) 0.071(4) Uani 1 1 d . . .
C26 C 0.585(5) 0.4858(17) 0.6153(14) 0.20(3) Uani 1 1 d . . .
C27 C 0.490(2) 0.3640(12) 0.5772(7) 0.128(10) Uani 1 1 d . . .
C28 C 0.364(2) 0.3248(15) 0.5323(9) 0.121(9) Uani 1 1 d . . .
H28 H 0.3286 0.3697 0.5213 0.145 Uiso 1 1 calc R . .
C29 C 0.2886(18) 0.2217(15) 0.5033(8) 0.083(5) Uani 1 1 d . . .
C30 C 0.143(2) 0.180(3) 0.4605(15) 0.143(12) Uani 1 1 d . . .
C31 C 0.218(2) -0.027(2) 0.6590(15) 0.117(9) Uani 1 1 d . . .
C32 C 0.298(4) 0.274(4) 1.0686(16) 0.22(2) Uani 1 1 d . . .
C33 C 0.718(5) 0.593(2) 0.1905(19) 0.27(3) Uani 1 1 d . . .
H33A H 0.6500 0.5300 0.1446 0.322 Uiso 1 1 calc R . .
H33B H 0.7679 0.6331 0.1652 0.322 Uiso 1 1 calc R . .
N1 N 0.7089(14) 0.3015(7) 0.7455(6) 0.081(4) Uani 1 1 d . . .
N2 N 0.7213(7) 0.0596(6) 0.6211(5) 0.0374(16) Uani 1 1 d . . .
O1 O 0.6413(8) 0.2066(5) 0.6839(4) 0.058(2) Uani 1 1 d . . .
O2 O 0.6029(5) 0.0258(4) 0.5606(4) 0.0332(12) Uani 1 1 d . . .
O3 O 0.6997(7) 0.2256(6) 0.5340(5) 0.062(2) Uani 1 1 d . . .
O4 O 0.4617(7) 0.1633(5) 0.4152(4) 0.0469(17) Uani 1 1 d . . .
O5 O 0.5528(12) 0.3141(6) 0.5938(5) 0.086(4) Uani 1 1 d . . .
O6 O 0.3165(9) 0.1476(8) 0.5069(5) 0.064(2) Uani 1 1 d . . .
O7 O 0.3895(7) 0.0503(7) 0.6083(5) 0.0568(19) Uani 1 1 d . . .
O8 O 0.4266(9) -0.0431(9) 0.7016(6) 0.077(3) Uani 1 1 d . . .
O9 O 0.4278(13) 0.1219(11) 0.7606(6) 0.098(4) Uani 1 1 d . . .
O10 O 0.2399(13) 0.1868(11) 0.9080(7) 0.102(4) Uani 1 1 d . . .
O11 O 0.1605(9) 0.3068(7) 0.9567(8) 0.097(4) Uani 1 1 d . . .
O12 O 0.3931(13) 0.3588(18) 0.9956(17) 0.197(11) Uani 1 1 d . . .
F1 F 0.9425(11) 0.3034(12) 0.5598(10) 0.164(7) Uani 1 1 d . . .
F2 F 0.9121(11) 0.3753(12) 0.4700(8) 0.167(7) Uani 1 1 d . . .
F3 F 0.9096(13) 0.4321(12) 0.5891(10) 0.193(8) Uani 1 1 d . . .
F4 F 0.5019(11) 0.2957(7) 0.2764(6) 0.128(5) Uani 1 1 d . . .
F5 F 0.3827(7) 0.1350(5) 0.2416(4) 0.0632(18) Uani 1 1 d . . .
F6 F 0.3443(12) 0.2485(9) 0.3140(5) 0.113(4) Uani 1 1 d . . .
F7 F 0.660(3) 0.5088(11) 0.5888(13) 0.28(2) Uani 1 1 d . . .
F8 F 0.505(3) 0.5342(11) 0.5931(10) 0.313(18) Uani 1 1 d . . .
F9 F 0.622(3) 0.5151(11) 0.7001(8) 0.300(17) Uani 1 1 d . . .
F10 F 0.1085(17) 0.2539(16) 0.4522(11) 0.195(8) Uani 1 1 d . . .
F11 F 0.0978(11) 0.1140(13) 0.3810(9) 0.136(5) Uani 1 1 d . . .
F12 F 0.0868(16) 0.1344(19) 0.5022(11) 0.213(10) Uani 1 1 d . . .
F13 F 0.1713(11) 0.0437(13) 0.6434(8) 0.137(5) Uani 1 1 d . . .
F14 F 0.1645(11) -0.1150(12) 0.5878(8) 0.116(4) Uani 1 1 d . . .
F15 F 0.1920(11) -0.0475(14) 0.7229(8) 0.157(6) Uani 1 1 d . . .
F16 F 0.1693(19) 0.1663(13) 1.0383(15) 0.182(8) Uani 1 1 d . . .
F17 F 0.3886(17) 0.2456(16) 1.0950(7) 0.197(9) Uani 1 1 d . . .
F18 F 0.2998(16) 0.3369(16) 1.1313(7) 0.177(8) Uani 1 1 d . . .
S3 S 0.2790(5) -0.0072(6) 0.9288(3) 0.121(2) Uani 1 1 d . B .
S4 S 0.3734(3) -0.1411(3) 0.84465(19) 0.0589(7) Uani 1 1 d . A .
S5 S 0.6282(3) 0.05726(19) 0.89114(15) 0.0465(6) Uani 1 1 d . . .
S6 S 0.5391(5) 0.1938(4) 0.9770(2) 0.0917(15) Uani 1 1 d . . .
S7 S 0.7690(7) 0.3872(3) 1.0290(2) 0.139(3) Uani 1 1 d . . .
S8 S 0.8710(4) 0.2348(2) 0.92107(17) 0.0758(11) Uani 1 1 d . . .
S9 S 0.3809(4) 0.0279(4) 0.6829(2) 0.0757(11) Uani 1 1 d . . .
S10 S 0.2569(4) 0.2705(3) 0.9694(3) 0.0993(16) Uani 1 1 d . . .
Cl1 Cl 0.793(2) 0.5680(18) 0.2488(17) 0.50(2) Uani 1 1 d . . .
Cl2 Cl 0.6518(15) 0.6722(13) 0.2485(6) 0.322(10) Uani 1 1 d . . .
Yb1 Yb 0.51004(4) 0.14193(3) 0.54571(2) 0.03926(16) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
S1A 0.070(2) 0.038(3) 0.069(4) 0.014(3) 0.023(3) 0.010(3)
C1A 0.096(16) 0.057(12) 0.086(16) 0.009(11) 0.002(13) 0.014(11)
S1B 0.070(2) 0.038(3) 0.069(4) 0.014(3) 0.023(3) 0.010(3)
C1B 0.096(16) 0.057(12) 0.086(16) 0.009(11) 0.002(13) 0.014(11)
S2A 0.055(2) 0.082(3) 0.068(3) 0.039(2) 0.032(2) 0.032(3)
C2A 0.069(14) 0.17(3) 0.21(4) 0.13(3) 0.070(19) 0.072(18)
S2B 0.055(2) 0.082(3) 0.068(3) 0.039(2) 0.032(2) 0.032(3)
C2B 0.069(14) 0.17(3) 0.21(4) 0.13(3) 0.070(19) 0.072(18)
C3 0.084(11) 0.23(3) 0.18(2) 0.19(2) 0.078(14) 0.086(15)
C4 0.059(8) 0.19(2) 0.102(12) 0.119(14) 0.039(9) 0.063(11)
C5 0.091(9) 0.110(11) 0.059(7) 0.058(8) 0.050(7) 0.074(9)
C6 0.108(10) 0.083(8) 0.037(5) 0.032(6) 0.038(6) 0.078(9)
C7 0.168(16) 0.064(8) 0.025(5) 0.010(5) 0.023(7) 0.076(10)
C8 0.102(9) 0.039(5) 0.023(4) 0.009(4) 0.012(5) 0.031(6)
C9 0.41(4) 0.072(10) 0.040(7) 0.010(7) 0.037(14) 0.149(19)
C10 0.32(3) 0.034(7) 0.029(6) -0.001(5) -0.007(11) 0.064(13)
C11 0.198(19) 0.048(7) 0.028(5) 0.005(5) 0.011(8) 0.067(10)
C12 0.36(4) 0.032(7) 0.032(7) 0.005(6) -0.017(13) -0.041(13)
C13 0.30(3) 0.075(12) 0.037(8) 0.018(8) -0.024(13) -0.082(16)
C14 0.178(19) 0.065(9) 0.042(7) 0.027(7) -0.013(10) -0.032(11)
C15 0.047(5) 0.054(6) 0.029(5) 0.014(4) -0.008(4) 0.003(5)
C16 0.035(5) 0.053(6) 0.030(4) 0.014(4) -0.006(4) 0.004(4)
C17 0.036(4) 0.036(4) 0.024(4) 0.005(3) 0.002(3) 0.007(4)
C18 0.032(5) 0.093(9) 0.052(6) 0.042(7) -0.003(5) -0.003(5)
C19 0.031(5) 0.112(11) 0.064(8) 0.051(8) 0.012(5) 0.008(6)
C20 0.035(5) 0.085(8) 0.039(5) 0.030(6) 0.008(4) 0.011(5)
C21 0.093(12) 0.118(15) 0.072(10) 0.056(11) -0.016(9) -0.058(11)
C22 0.088(10) 0.064(8) 0.055(7) 0.033(7) -0.007(7) -0.025(7)
C23 0.106(11) 0.041(6) 0.049(7) 0.026(6) -0.020(7) -0.029(7)
C24 0.103(9) 0.024(4) 0.031(5) 0.006(4) 0.005(6) 0.013(5)
C25 0.122(11) 0.035(5) 0.032(5) 0.011(4) 0.005(6) 0.028(7)
C26 0.43(7) 0.045(12) 0.048(10) -0.001(8) -0.019(18) 0.11(3)
C27 0.27(3) 0.070(9) 0.018(5) -0.012(5) -0.011(9) 0.114(14)
C28 0.24(3) 0.117(14) 0.038(7) 0.019(8) 0.026(11) 0.145(17)
C29 0.138(14) 0.128(14) 0.049(7) 0.049(8) 0.048(8) 0.113(13)
C30 0.18(2) 0.30(3) 0.113(16) 0.15(2) 0.098(16) 0.21(3)
C31 0.116(14) 0.24(3) 0.124(16) 0.15(2) 0.097(14) 0.127(18)
C32 0.32(4) 0.49(6) 0.105(16) 0.16(3) 0.14(2) 0.37(5)
C33 0.56(8) 0.11(2) 0.12(2) 0.063(17) 0.04(3) 0.20(4)
N1 0.140(11) 0.029(4) 0.025(4) 0.008(4) -0.005(5) 0.012(6)
N2 0.029(3) 0.040(4) 0.029(4) 0.010(3) 0.002(3) 0.007(3)
O1 0.088(5) 0.030(3) 0.022(3) -0.001(3) -0.007(3) 0.018(4)
O2 0.029(3) 0.031(3) 0.024(3) 0.006(2) -0.001(2) 0.008(2)
O3 0.057(4) 0.051(4) 0.041(4) 0.021(4) -0.002(3) -0.004(4)
O4 0.067(4) 0.034(3) 0.026(3) 0.007(3) 0.005(3) 0.021(3)
O5 0.158(10) 0.041(4) 0.033(4) 0.002(3) -0.002(5) 0.053(6)
O6 0.086(6) 0.095(6) 0.041(4) 0.031(4) 0.029(4) 0.066(5)
O7 0.056(4) 0.087(6) 0.038(4) 0.031(4) 0.020(3) 0.037(4)
O8 0.086(6) 0.133(9) 0.069(6) 0.069(6) 0.047(5) 0.077(7)
O9 0.135(10) 0.150(11) 0.050(5) 0.047(7) 0.045(6) 0.092(9)
O10 0.133(10) 0.149(11) 0.064(6) 0.050(7) 0.037(7) 0.101(9)
O11 0.066(6) 0.053(5) 0.110(8) -0.008(5) -0.025(5) 0.032(4)
O12 0.076(9) 0.26(2) 0.32(3) 0.22(2) 0.086(13) 0.062(12)
F1 0.081(7) 0.183(14) 0.140(11) 0.102(11) -0.004(7) -0.034(7)
F2 0.100(8) 0.196(13) 0.116(9) 0.105(10) 0.005(7) -0.037(8)
F3 0.118(9) 0.135(12) 0.138(12) -0.032(9) 0.019(8) -0.073(9)
F4 0.147(9) 0.083(6) 0.069(5) 0.051(5) -0.021(6) -0.010(6)
F5 0.095(5) 0.046(3) 0.031(3) 0.007(3) 0.006(3) 0.032(3)
F6 0.201(11) 0.129(8) 0.047(4) 0.030(5) 0.030(6) 0.133(9)
F7 0.39(4) 0.048(7) 0.146(17) 0.034(8) -0.13(2) 0.001(12)
F8 0.55(4) 0.111(10) 0.117(10) -0.034(8) -0.111(16) 0.214(18)
F9 0.56(4) 0.112(10) 0.067(7) -0.041(7) -0.096(13) 0.194(17)
F10 0.244(17) 0.33(2) 0.219(16) 0.183(17) 0.141(15) 0.260(19)
F11 0.093(7) 0.247(16) 0.125(10) 0.115(11) 0.045(7) 0.103(9)
F12 0.200(14) 0.47(3) 0.233(17) 0.29(2) 0.179(14) 0.256(19)
F13 0.127(8) 0.280(16) 0.139(9) 0.146(11) 0.092(8) 0.160(11)
F14 0.115(8) 0.173(12) 0.108(8) 0.085(9) 0.070(7) 0.071(8)
F15 0.123(8) 0.34(2) 0.155(10) 0.198(13) 0.112(8) 0.152(12)
F16 0.200(17) 0.136(12) 0.26(2) 0.096(14) 0.136(17) 0.079(12)
F17 0.277(18) 0.41(3) 0.072(6) 0.121(11) 0.094(9) 0.30(2)
F18 0.223(15) 0.32(2) 0.070(7) 0.052(10) 0.063(8) 0.219(17)
S3 0.158(4) 0.255(7) 0.131(4) 0.157(5) 0.121(4) 0.181(5)
S4 0.0522(15) 0.086(2) 0.0485(15) 0.0387(16) 0.0246(13) 0.0282(15)
S5 0.0713(16) 0.0395(12) 0.0332(11) 0.0110(10) 0.0246(12) 0.0277(12)
S6 0.179(4) 0.117(3) 0.0404(15) 0.0353(18) 0.048(2) 0.124(3)
S7 0.303(8) 0.053(2) 0.0258(14) 0.0020(13) 0.016(3) 0.084(3)
S8 0.103(3) 0.0368(14) 0.0286(12) 0.0013(11) -0.0004(14) -0.0070(15)
S9 0.098(2) 0.140(3) 0.0599(18) 0.066(2) 0.0555(19) 0.091(3)
S10 0.087(3) 0.087(3) 0.071(2) -0.012(2) -0.027(2) 0.054(2)
Cl1 0.35(2) 0.39(3) 0.49(3) -0.16(2) -0.06(2) 0.27(2)
Cl2 0.409(19) 0.44(2) 0.132(7) 0.000(10) -0.002(9) 0.363(19)
Yb1 0.0528(3) 0.0311(2) 0.0216(2) 0.00380(15) 0.00357(16) 0.01758(18)

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
S1A C1A 1.74(4) . ?
S1A C4 2.05(3) . ?
S1B C4 1.44(2) . ?
S1B C1B 1.77(3) . ?
S2A C2A 1.73(5) . ?
S2A C3 1.860(19) . ?
S2B C3 1.78(2) . ?
S2B C2B 1.81(3) . ?
C3 C4 1.32(3) . ?
C3 S3 1.80(3) . ?
C4 S4 1.737(15) . ?
C5 C6 1.41(2) . ?
C5 S3 1.689(12) . ?
C5 S4 1.701(15) . ?
C6 S5 1.719(12) . ?
C6 S6 1.726(12) . ?
C7 C8 1.355(18) . ?
C7 S6 1.71(2) . ?
C7 S7 1.762(14) . ?
C8 S5 1.725(11) . ?
C8 S8 1.751(15) . ?
C9 C10 1.50(3) . ?
C9 S7 1.839(17) . ?
C10 C12 1.36(4) . ?
C10 C11 1.393(18) . ?
C11 N1 1.37(2) . ?
C12 C13 1.39(4) . ?
C13 C14 1.40(2) . ?
C14 N1 1.31(2) . ?
C15 C16 1.511(14) . ?
C15 S8 1.838(13) . ?
C16 C18 1.376(16) . ?
C16 C17 1.410(12) . ?
C17 N2 1.344(12) . ?
C18 C19 1.375(17) . ?
C19 C20 1.386(15) . ?
C20 N2 1.345(13) . ?
C21 F3 1.24(3) . ?
C21 F2 1.26(2) . ?
C21 F1 1.37(3) . ?
C21 C22 1.58(2) . ?
C22 O3 1.248(15) . ?
C22 C23 1.369(19) . ?
C23 C24 1.37(2) . ?
C24 O4 1.255(14) . ?
C24 C25 1.551(16) . ?
C25 F4 1.312(17) . ?
C25 F5 1.326(12) . ?
C25 F6 1.34(2) . ?
C26 F7 1.13(7) . ?
C26 F9 1.33(3) . ?
C26 F8 1.41(4) . ?
C26 C27 1.61(4) . ?
C27 O5 1.251(18) . ?
C27 C28 1.36(3) . ?
C28 C29 1.35(3) . ?
C29 O6 1.256(15) . ?
C29 C30 1.55(3) . ?
C30 F12 1.29(3) . ?
C30 F10 1.31(2) . ?
C30 F11 1.31(3) . ?
C31 F15 1.312(16) . ?
C31 F14 1.35(3) . ?
C31 F13 1.40(2) . ?
C31 S9 1.75(2) . ?
C32 F18 1.24(3) . ?
C32 F17 1.32(2) . ?
C32 F16 1.64(5) . ?
C32 S10 1.64(2) . ?
C33 Cl1 1.38(3) . ?
C33 Cl2 1.88(4) . ?
N1 O1 1.334(11) . ?
N2 O2 1.366(9) . ?
O1 Yb1 2.233(6) . ?
O2 Yb1 2.338(6) 2_656 ?
O2 Yb1 2.373(6) . ?
O3 Yb1 2.324(8) . ?
O4 Yb1 2.311(6) . ?
O5 Yb1 2.280(7) . ?
O6 Yb1 2.313(8) . ?
O7 S9 1.437(8) . ?
O7 Yb1 2.333(8) . ?
O8 S9 1.401(9) . ?
O9 S9 1.481(13) . ?
O10 S10 1.328(13) . ?
O11 S10 1.435(10) . ?
O12 S10 1.582(16) . ?
Yb1 O2 2.338(6) 2_656 ?
Yb1 Yb1 3.9786(7) 2_656 ?

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
_geom_angle_publ_flag
C1A S1A C4 107.0(13) . . ?
C4 S1B C1B 104.1(12) . . ?
C2A S2A C3 102.1(15) . . ?
C3 S2B C2B 106.1(12) . . ?
C4 C3 S2B 144(2) . . ?
C4 C3 S3 116.4(14) . . ?
S2B C3 S3 99.1(15) . . ?
C4 C3 S2A 110.7(19) . . ?
S2B C3 S2A 34.5(4) . . ?
S3 C3 S2A 132.9(16) . . ?
C3 C4 S1B 117.2(15) . . ?
C3 C4 S4 117.0(18) . . ?
S1B C4 S4 125.8(15) . . ?
C3 C4 S1A 129.8(15) . . ?
S1B C4 S1A 12.6(5) . . ?
S4 C4 S1A 113.2(12) . . ?
C6 C5 S3 122.0(11) . . ?
C6 C5 S4 120.2(9) . . ?
S3 C5 S4 117.8(10) . . ?
C5 C6 S5 122.7(9) . . ?
C5 C6 S6 123.0(9) . . ?
S5 C6 S6 114.2(9) . . ?
C8 C7 S6 118.0(12) . . ?
C8 C7 S7 125.3(15) . . ?
S6 C7 S7 116.6(8) . . ?
C7 C8 S5 115.1(12) . . ?
C7 C8 S8 124.0(11) . . ?
S5 C8 S8 120.9(7) . . ?
C10 C9 S7 108.7(17) . . ?
C12 C10 C11 119(2) . . ?
C12 C10 C9 124.1(16) . . ?
C11 C10 C9 117(2) . . ?
N1 C11 C10 119(2) . . ?
C10 C12 C13 119.7(15) . . ?
C12 C13 C14 121(2) . . ?
N1 C14 C13 117(2) . . ?
C16 C15 S8 113.6(8) . . ?
C18 C16 C17 118.5(9) . . ?
C18 C16 C15 120.8(9) . . ?
C17 C16 C15 120.7(9) . . ?
N2 C17 C16 118.4(9) . . ?
C19 C18 C16 120.5(9) . . ?
C18 C19 C20 120.6(11) . . ?
N2 C20 C19 117.5(10) . . ?
F3 C21 F2 110.0(17) . . ?
F3 C21 F1 102.6(16) . . ?
F2 C21 F1 106(2) . . ?
F3 C21 C22 110(2) . . ?
F2 C21 C22 115.8(14) . . ?
F1 C21 C22 111.7(14) . . ?
O3 C22 C23 128.3(14) . . ?
O3 C22 C21 113.8(13) . . ?
C23 C22 C21 117.7(13) . . ?
C22 C23 C24 120.6(12) . . ?
O4 C24 C23 127.6(10) . . ?
O4 C24 C25 113.3(12) . . ?
C23 C24 C25 119.1(11) . . ?
F4 C25 F5 108.0(11) . . ?
F4 C25 F6 109.1(12) . . ?
F5 C25 F6 104.5(12) . . ?
F4 C25 C24 113.6(13) . . ?
F5 C25 C24 110.3(9) . . ?
F6 C25 C24 111.0(11) . . ?
F7 C26 F9 118(5) . . ?
F7 C26 F8 109(3) . . ?
F9 C26 F8 104(3) . . ?
F7 C26 C27 116(3) . . ?
F9 C26 C27 105(2) . . ?
F8 C26 C27 104(3) . . ?
O5 C27 C28 127.3(16) . . ?
O5 C27 C26 109(2) . . ?
C28 C27 C26 124(2) . . ?
C29 C28 C27 121.1(13) . . ?
O6 C29 C28 130.0(17) . . ?
O6 C29 C30 110.0(18) . . ?
C28 C29 C30 120.0(16) . . ?
F12 C30 F10 108.9(16) . . ?
F12 C30 F11 108(3) . . ?
F10 C30 F11 103.9(15) . . ?
F12 C30 C29 112.0(14) . . ?
F10 C30 C29 113(3) . . ?
F11 C30 C29 110.8(13) . . ?
F15 C31 F14 111(2) . . ?
F15 C31 F13 106.4(15) . . ?
F14 C31 F13 110.5(16) . . ?
F15 C31 S9 113.0(14) . . ?
F14 C31 S9 106.9(12) . . ?
F13 C31 S9 108.7(17) . . ?
F18 C32 F17 109(2) . . ?
F18 C32 F16 106(3) . . ?
F17 C32 F16 103(3) . . ?
F18 C32 S10 127(2) . . ?
F17 C32 S10 116.1(12) . . ?
F16 C32 S10 90(2) . . ?
Cl1 C33 Cl2 109(2) . . ?
C14 N1 O1 119.5(14) . . ?
C14 N1 C11 124.1(14) . . ?
O1 N1 C11 116.3(13) . . ?
C17 N2 C20 124.5(8) . . ?
C17 N2 O2 118.1(7) . . ?
C20 N2 O2 117.3(7) . . ?
N1 O1 Yb1 135.4(6) . . ?
N2 O2 Yb1 122.9(5) . 2_656 ?
N2 O2 Yb1 121.3(5) . . ?
Yb1 O2 Yb1 115.3(2) 2_656 . ?
C22 O3 Yb1 130.8(10) . . ?
C24 O4 Yb1 132.8(7) . . ?
C27 O5 Yb1 134.1(11) . . ?
C29 O6 Yb1 130.8(11) . . ?
S9 O7 Yb1 149.1(5) . . ?
C5 S3 C3 93.6(9) . . ?
C5 S4 C4 95.1(10) . . ?
C6 S5 C8 96.8(7) . . ?
C7 S6 C6 95.7(6) . . ?
C7 S7 C9 101.0(8) . . ?
C8 S8 C15 104.5(5) . . ?
O8 S9 O7 116.3(5) . . ?
O8 S9 O9 111.6(6) . . ?
O7 S9 O9 113.9(7) . . ?
O8 S9 C31 107.7(9) . . ?
O7 S9 C31 104.2(6) . . ?
O9 S9 C31 101.6(11) . . ?
O10 S10 O11 118.8(7) . . ?
O10 S10 O12 108.0(12) . . ?
O11 S10 O12 113.3(9) . . ?
O10 S10 C32 117.8(14) . . ?
O11 S10 C32 105.8(9) . . ?
O12 S10 C32 90(2) . . ?
O1 Yb1 O5 75.0(3) . . ?
O1 Yb1 O4 147.5(3) . . ?
O5 Yb1 O4 80.9(3) . . ?
O1 Yb1 O6 120.9(3) . . ?
O5 Yb1 O6 73.9(4) . . ?
O4 Yb1 O6 71.2(3) . . ?
O1 Yb1 O3 80.4(3) . . ?
O5 Yb1 O3 75.6(4) . . ?
O4 Yb1 O3 72.6(3) . . ?
O6 Yb1 O3 135.5(3) . . ?
O1 Yb1 O7 76.5(3) . . ?
O5 Yb1 O7 111.8(4) . . ?
O4 Yb1 O7 133.6(3) . . ?
O6 Yb1 O7 70.4(3) . . ?
O3 Yb1 O7 152.6(3) . . ?
O1 Yb1 O2 133.9(2) . 2_656 ?
O5 Yb1 O2 150.8(3) . 2_656 ?
O4 Yb1 O2 73.7(2) . 2_656 ?
O6 Yb1 O2 84.2(3) . 2_656 ?
O3 Yb1 O2 109.4(3) . 2_656 ?
O7 Yb1 O2 77.4(3) . 2_656 ?
O1 Yb1 O2 74.1(2) . . ?
O5 Yb1 O2 142.3(3) . . ?
O4 Yb1 O2 116.7(2) . . ?
O6 Yb1 O2 141.8(3) . . ?
O3 Yb1 O2 78.6(3) . . ?
O7 Yb1 O2 81.0(2) . . ?
O2 Yb1 O2 64.7(2) 2_656 . ?
O1 Yb1 Yb1 104.10(18) . 2_656 ?
O5 Yb1 Yb1 170.1(3) . 2_656 ?
O4 Yb1 Yb1 95.93(16) . 2_656 ?
O6 Yb1 Yb1 114.1(2) . 2_656 ?
O3 Yb1 Yb1 94.4(2) . 2_656 ?
O7 Yb1 Yb1 77.2(2) . 2_656 ?
O2 Yb1 Yb1 32.64(14) 2_656 2_656 ?
O2 Yb1 Yb1 32.10(13) . 2_656 ?

_diffrn_measured_fraction_theta_max 0.947
_diffrn_reflns_theta_full        27.52
_diffrn_measured_fraction_theta_full 0.947
_refine_diff_density_max         2.978
_refine_diff_density_min         -2.740
_refine_diff_density_rms         0.305
_database_code_depnum_ccdc_archive 'CCDC 959350'