# Supplementary Material (ESI) for Chemical Communications
# This journal is (c) The Royal Society of Chemistry 2011
data_global
#TrackingRef '- C1CC10990A_ccdc__808236_cif_r1.txt'

_journal_name_full               Chem.Commun.
_journal_coden_cambridge         0182
_journal_year                    ?
_journal_volume                  ?
_journal_page_first              ?
_publ_contact_author_name        'Lei Hou'
_publ_contact_author_email       hllei1010@126.com
loop_
_publ_author_name
'Lei Hou.'
'Yao-Yu Wang.'

data_Complex_1
#TrackingRef '- C1CC10990A_ccdc__808236_cif_r1.txt'

_database_code_depnum_ccdc_archive 'CCDC 808236'
#TrackingRef '3784_web_deposit_cif_file_0_LeiHou_1295010416.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C38 H26 Cd4 F12 O23'
_chemical_formula_weight         1528.19

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd -0.8075 1.2024 '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'

_symmetry_cell_setting           Trigonal
_symmetry_space_group_name_H-M   R-3

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

_cell_length_a                   39.918(4)
_cell_length_b                   39.918(4)
_cell_length_c                   7.7112(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     10641.4(19)
_cell_formula_units_Z            9
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    3671
_cell_measurement_theta_min      2.69
_cell_measurement_theta_max      23.38

_exptl_crystal_description       Prism
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.146
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             6642
_exptl_absorpt_coefficient_mu    1.906
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.6791
_exptl_absorpt_correction_T_max  0.8472
_exptl_absorpt_process_details   Sadabs

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      295(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  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19417
_diffrn_reflns_av_R_equivalents  0.0501
_diffrn_reflns_av_sigmaI/netI    0.0440
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_h_max       49
_diffrn_reflns_limit_k_min       -49
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_theta_min         1.77
_diffrn_reflns_theta_max         26.00
_reflns_number_total             4657
_reflns_number_gt                3607
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART (Bruker, 2002)'
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_reduction        SAINT
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  SHELXTL

_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^)+(0.0377P)^2^+50.9606P] 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         4657
_refine_ls_number_parameters     356
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0544
_refine_ls_R_factor_gt           0.0385
_refine_ls_wR_factor_ref         0.0994
_refine_ls_wR_factor_gt          0.0901
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_restrained_S_all      1.046
_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
Cd1 Cd 0.867213(12) 0.171490(12) 0.94958(5) 0.02549(14) Uani 1 1 d . . .
Cd2 Cd 0.759859(13) 0.118866(13) 0.82407(5) 0.02692(14) Uani 1 1 d . . .
O1 O 0.81118(11) 0.17314(11) 0.9970(5) 0.0283(9) Uani 1 1 d . . .
O1W O 0.74228(19) 0.05891(17) 0.9084(10) 0.088(2) Uani 1 1 d . . .
H1WA H 0.7248 0.0428 0.8411 0.132 Uiso 1 1 d R . .
H1WB H 0.7335 0.0556 1.0112 0.132 Uiso 1 1 d R . .
O2 O 0.80516(14) 0.20798(12) 1.2071(5) 0.0371(11) Uani 1 1 d . . .
O3 O 0.87654(12) 0.22885(12) 0.8121(6) 0.0333(10) Uani 1 1 d . . .
O4 O 0.84747(11) 0.20906(12) 0.5587(5) 0.0308(10) Uani 1 1 d . . .
O5 O 0.92704(12) 0.38987(13) 0.6674(5) 0.0413(12) Uani 1 1 d . . .
O6 O 0.95938(11) 0.41141(11) 0.4199(5) 0.0288(9) Uani 1 1 d . . .
O7 O 0.93603(13) 0.36967(12) 0.0303(5) 0.0351(10) Uani 1 1 d . . .
O8 O 0.93360(11) 0.42281(11) 0.0731(5) 0.0279(9) Uani 1 1 d . . .
F1 F 0.78645(12) 0.36074(11) 0.5485(5) 0.0482(11) Uani 1 1 d . . .
F2 F 0.74774(11) 0.31928(11) 0.7308(5) 0.0441(10) Uani 1 1 d . . .
F3 F 0.80864(11) 0.34940(10) 0.7806(5) 0.0414(9) Uani 1 1 d . . .
F4 F 0.73924(11) 0.29502(12) 0.3567(5) 0.0452(10) Uani 1 1 d . . .
F5 F 0.71975(10) 0.25454(11) 0.5672(5) 0.0448(10) Uani 1 1 d . . .
F6 F 0.75331(10) 0.24947(10) 0.3635(5) 0.0390(9) Uani 1 1 d . . .
C1 C 0.80743(16) 0.20129(17) 1.0506(7) 0.0246(13) Uani 1 1 d . . .
C2 C 0.80355(17) 0.22717(16) 0.9198(7) 0.0224(12) Uani 1 1 d . . .
C3 C 0.82146(15) 0.23567(15) 0.7578(7) 0.0204(12) Uani 1 1 d . . .
C4 C 0.81572(16) 0.25905(16) 0.6426(7) 0.0226(12) Uani 1 1 d . . .
H4 H 0.8271 0.2639 0.5333 0.027 Uiso 1 1 calc R . .
C5 C 0.79304(15) 0.27539(15) 0.6890(7) 0.0204(12) Uani 1 1 d . . .
C6 C 0.77478(17) 0.26593(17) 0.8482(8) 0.0281(13) Uani 1 1 d . . .
H6 H 0.7589 0.2758 0.8797 0.034 Uiso 1 1 calc R . .
C7 C 0.77978(17) 0.24192(17) 0.9615(8) 0.0275(13) Uani 1 1 d . . .
H7 H 0.7669 0.2356 1.0675 0.033 Uiso 1 1 calc R . .
C8 C 0.84979(17) 0.22330(16) 0.7086(8) 0.0258(13) Uani 1 1 d . . .
C9 C 0.78728(16) 0.30130(16) 0.5585(7) 0.0215(12) Uani 1 1 d . . .
C10 C 0.82205(15) 0.32277(15) 0.4355(7) 0.0201(12) Uani 1 1 d . . .
C11 C 0.85833(17) 0.34502(16) 0.5092(7) 0.0248(13) Uani 1 1 d . . .
H11 H 0.8607 0.3451 0.6292 0.030 Uiso 1 1 calc R . .
C12 C 0.89137(16) 0.36721(16) 0.4099(7) 0.0230(12) Uani 1 1 d . . .
C13 C 0.88876(16) 0.36570(15) 0.2301(7) 0.0233(12) Uani 1 1 d . . .
C14 C 0.85270(18) 0.34286(17) 0.1555(8) 0.0312(14) Uani 1 1 d . . .
H14 H 0.8505 0.3414 0.0353 0.037 Uiso 1 1 calc R . .
C15 C 0.81994(17) 0.32222(17) 0.2565(8) 0.0281(13) Uani 1 1 d . . .
H15 H 0.7960 0.3077 0.2028 0.034 Uiso 1 1 calc R . .
C16 C 0.92915(16) 0.39140(16) 0.5046(7) 0.0244(13) Uani 1 1 d . . .
C17 C 0.92236(16) 0.38704(17) 0.1069(7) 0.0263(13) Uani 1 1 d . . .
C18 C 0.78225(18) 0.33290(17) 0.6547(8) 0.0297(14) Uani 1 1 d . . .
C19 C 0.74936(17) 0.27496(19) 0.4609(8) 0.0312(14) Uani 1 1 d . . .
O2W O 0.7398(5) 0.0391(5) 0.259(2) 0.104(6) Uiso 0.56 1 d P . .
O2W' O 0.7629(6) 0.0458(4) 0.221(2) 0.081(5) Uani 0.44 1 d P . .
O3W O 0.6635(7) 0.0006(6) 0.800(3) 0.250(8) Uani 0.50 1 d P . .
O4W O 0.7248(3) 0.0175(3) 0.6723(15) 0.257(4) 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
Cd1 0.0253(2) 0.0320(3) 0.0226(2) 0.00496(18) 0.00077(17) 0.0169(2)
Cd2 0.0281(3) 0.0383(3) 0.0214(2) 0.00133(18) 0.00197(17) 0.0219(2)
O1 0.032(2) 0.030(2) 0.030(2) 0.0006(18) -0.0005(18) 0.020(2)
O1W 0.092(5) 0.058(4) 0.114(6) 0.025(4) 0.014(4) 0.038(4)
O2 0.064(3) 0.038(3) 0.019(2) 0.0053(19) 0.000(2) 0.033(2)
O3 0.031(2) 0.037(3) 0.039(3) 0.002(2) -0.005(2) 0.022(2)
O4 0.026(2) 0.042(3) 0.027(2) -0.0070(19) 0.0033(18) 0.019(2)
O5 0.034(3) 0.044(3) 0.020(2) 0.002(2) -0.0028(19) 0.000(2)
O6 0.022(2) 0.029(2) 0.029(2) 0.0061(18) 0.0039(18) 0.0079(19)
O7 0.039(3) 0.037(3) 0.030(2) 0.002(2) 0.009(2) 0.020(2)
O8 0.030(2) 0.024(2) 0.020(2) 0.0028(17) -0.0019(17) 0.0057(18)
F1 0.078(3) 0.041(2) 0.044(2) 0.0159(18) 0.012(2) 0.044(2)
F2 0.048(2) 0.049(2) 0.050(3) 0.0093(19) 0.0168(19) 0.036(2)
F3 0.052(2) 0.037(2) 0.037(2) -0.0111(17) -0.0036(18) 0.024(2)
F4 0.036(2) 0.056(3) 0.043(2) 0.0038(19) -0.0136(18) 0.023(2)
F5 0.0196(19) 0.055(2) 0.040(2) 0.0022(19) 0.0069(16) 0.0043(18)
F6 0.035(2) 0.033(2) 0.035(2) -0.0112(16) -0.0039(16) 0.0064(17)
C1 0.022(3) 0.031(3) 0.022(3) 0.005(2) 0.001(2) 0.014(3)
C2 0.030(3) 0.020(3) 0.017(3) 0.003(2) 0.000(2) 0.013(3)
C3 0.022(3) 0.019(3) 0.020(3) 0.001(2) 0.001(2) 0.010(2)
C4 0.025(3) 0.022(3) 0.020(3) 0.004(2) 0.003(2) 0.011(3)
C5 0.020(3) 0.017(3) 0.021(3) 0.004(2) 0.003(2) 0.007(2)
C6 0.031(3) 0.034(3) 0.029(3) 0.002(3) 0.005(3) 0.024(3)
C7 0.033(3) 0.033(3) 0.021(3) 0.006(2) 0.008(3) 0.020(3)
C8 0.027(3) 0.022(3) 0.030(3) 0.008(3) 0.005(3) 0.013(3)
C9 0.022(3) 0.021(3) 0.022(3) 0.001(2) -0.001(2) 0.011(3)
C10 0.024(3) 0.015(3) 0.020(3) 0.002(2) 0.000(2) 0.009(2)
C11 0.031(3) 0.025(3) 0.014(3) 0.002(2) 0.002(2) 0.010(3)
C12 0.022(3) 0.022(3) 0.021(3) 0.000(2) 0.000(2) 0.008(2)
C13 0.028(3) 0.017(3) 0.020(3) 0.004(2) 0.002(2) 0.008(3)
C14 0.036(4) 0.033(3) 0.018(3) -0.001(3) -0.005(3) 0.013(3)
C15 0.021(3) 0.027(3) 0.028(3) -0.001(3) -0.004(2) 0.005(3)
C16 0.026(3) 0.018(3) 0.020(3) 0.000(2) -0.003(2) 0.004(3)
C17 0.022(3) 0.026(3) 0.019(3) 0.000(2) -0.005(2) 0.003(3)
C18 0.038(4) 0.031(3) 0.027(3) 0.004(3) 0.006(3) 0.022(3)
C19 0.025(3) 0.039(4) 0.028(3) 0.002(3) 0.002(3) 0.015(3)
O2W' 0.114(14) 0.065(10) 0.078(11) 0.002(8) -0.003(10) 0.056(11)
O3W 0.26(2) 0.202(19) 0.28(2) 0.044(15) 0.010(17) 0.109(17)
O4W 0.300(11) 0.183(9) 0.253(11) 0.006(8) -0.016(8) 0.094(8)

_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
Cd1 O2 2.209(4) 13_657 ?
Cd1 O6 2.256(4) 8_645 ?
Cd1 O8 2.292(4) 8_645 ?
Cd1 O1 2.300(4) . ?
Cd1 O4 2.331(4) 13_656 ?
Cd1 O3 2.378(4) . ?
Cd2 O5 2.183(4) 17_556 ?
Cd2 O1W 2.228(6) . ?
Cd2 O4 2.300(4) 13_656 ?
Cd2 O8 2.363(4) 17 ?
Cd2 O7 2.472(4) 17 ?
Cd2 O1 2.496(4) . ?
O1 C1 1.274(7) . ?
O1W H1WA 0.8499 . ?
O1W H1WB 0.8500 . ?
O2 C1 1.249(7) . ?
O2 Cd1 2.209(4) 13_657 ?
O3 C8 1.261(7) . ?
O4 C8 1.271(7) . ?
O4 Cd2 2.300(4) 13_656 ?
O4 Cd1 2.331(4) 13_656 ?
O5 C16 1.258(7) . ?
O5 Cd2 2.183(4) 18_546 ?
O6 C16 1.248(7) . ?
O6 Cd1 2.257(4) 6_664 ?
O7 C17 1.227(7) . ?
O7 Cd2 2.473(4) 18_545 ?
O8 C17 1.291(7) . ?
O8 Cd1 2.292(4) 6_664 ?
O8 Cd2 2.363(4) 18_545 ?
F1 C18 1.322(7) . ?
F2 C18 1.337(7) . ?
F3 C18 1.339(7) . ?
F4 C19 1.332(7) . ?
F5 C19 1.331(7) . ?
F6 C19 1.336(7) . ?
C1 C2 1.506(7) . ?
C2 C7 1.382(8) . ?
C2 C3 1.394(7) . ?
C3 C4 1.388(7) . ?
C3 C8 1.492(8) . ?
C4 C5 1.402(8) . ?
C4 H4 0.9300 . ?
C5 C6 1.381(8) . ?
C5 C9 1.540(7) . ?
C6 C7 1.383(8) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C9 C19 1.540(8) . ?
C9 C10 1.540(8) . ?
C9 C18 1.561(8) . ?
C10 C15 1.383(8) . ?
C10 C11 1.387(8) . ?
C11 C12 1.394(8) . ?
C11 H11 0.9300 . ?
C12 C13 1.389(8) . ?
C12 C16 1.511(8) . ?
C13 C14 1.386(8) . ?
C13 C17 1.511(8) . ?
C14 C15 1.385(8) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
O2W O2W' 0.873(19) . ?

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
O2 Cd1 O6 90.27(16) 13_657 8_645 ?
O2 Cd1 O8 106.26(16) 13_657 8_645 ?
O6 Cd1 O8 81.91(14) 8_645 8_645 ?
O2 Cd1 O1 103.27(15) 13_657 . ?
O6 Cd1 O1 119.20(14) 8_645 . ?
O8 Cd1 O1 143.45(14) 8_645 . ?
O2 Cd1 O4 88.99(16) 13_657 13_656 ?
O6 Cd1 O4 168.23(14) 8_645 13_656 ?
O8 Cd1 O4 87.02(14) 8_645 13_656 ?
O1 Cd1 O4 72.35(14) . 13_656 ?
O2 Cd1 O3 168.25(15) 13_657 . ?
O6 Cd1 O3 81.25(14) 8_645 . ?
O8 Cd1 O3 80.71(15) 8_645 . ?
O1 Cd1 O3 74.30(14) . . ?
O4 Cd1 O3 100.97(15) 13_656 . ?
O5 Cd2 O1W 98.4(2) 17_556 . ?
O5 Cd2 O4 147.45(15) 17_556 13_656 ?
O1W Cd2 O4 84.6(2) . 13_656 ?
O5 Cd2 O8 94.95(15) 17_556 17 ?
O1W Cd2 O8 143.8(2) . 17 ?
O4 Cd2 O8 101.55(14) 13_656 17 ?
O5 Cd2 O7 79.43(15) 17_556 17 ?
O1W Cd2 O7 95.7(2) . 17 ?
O4 Cd2 O7 132.77(15) 13_656 17 ?
O8 Cd2 O7 53.98(14) 17 17 ?
O5 Cd2 O1 80.77(15) 17_556 . ?
O1W Cd2 O1 117.2(2) . . ?
O4 Cd2 O1 69.35(13) 13_656 . ?
O8 Cd2 O1 98.04(13) 17 . ?
O7 Cd2 O1 143.59(13) 17 . ?
C1 O1 Cd1 128.4(4) . . ?
C1 O1 Cd2 122.1(3) . . ?
Cd1 O1 Cd2 106.14(15) . . ?
Cd2 O1W H1WA 109.6 . . ?
Cd2 O1W H1WB 108.7 . . ?
H1WA O1W H1WB 109.5 . . ?
C1 O2 Cd1 113.9(4) . 13_657 ?
C8 O3 Cd1 113.7(4) . . ?
C8 O4 Cd2 105.5(4) . 13_656 ?
C8 O4 Cd1 137.3(4) . 13_656 ?
Cd2 O4 Cd1 111.84(16) 13_656 13_656 ?
C16 O5 Cd2 124.8(4) . 18_546 ?
C16 O6 Cd1 121.9(4) . 6_664 ?
C17 O7 Cd2 90.5(4) . 18_545 ?
C17 O8 Cd1 115.3(3) . 6_664 ?
C17 O8 Cd2 94.0(3) . 18_545 ?
Cd1 O8 Cd2 108.43(16) 6_664 18_545 ?
O2 C1 O1 123.7(5) . . ?
O2 C1 C2 117.2(5) . . ?
O1 C1 C2 119.0(5) . . ?
C7 C2 C3 118.9(5) . . ?
C7 C2 C1 117.7(5) . . ?
C3 C2 C1 123.4(5) . . ?
C4 C3 C2 120.0(5) . . ?
C4 C3 C8 117.8(5) . . ?
C2 C3 C8 121.9(5) . . ?
C3 C4 C5 120.8(5) . . ?
C3 C4 H4 119.6 . . ?
C5 C4 H4 119.6 . . ?
C6 C5 C4 118.4(5) . . ?
C6 C5 C9 121.9(5) . . ?
C4 C5 C9 119.6(5) . . ?
C5 C6 C7 120.8(5) . . ?
C5 C6 H6 119.6 . . ?
C7 C6 H6 119.6 . . ?
C2 C7 C6 121.1(5) . . ?
C2 C7 H7 119.4 . . ?
C6 C7 H7 119.5 . . ?
O3 C8 O4 121.4(5) . . ?
O3 C8 C3 119.7(5) . . ?
O4 C8 C3 118.8(5) . . ?
C19 C9 C10 112.6(5) . . ?
C19 C9 C5 106.6(4) . . ?
C10 C9 C5 112.4(4) . . ?
C19 C9 C18 107.7(5) . . ?
C10 C9 C18 106.7(4) . . ?
C5 C9 C18 110.8(5) . . ?
C15 C10 C11 117.1(5) . . ?
C15 C10 C9 125.1(5) . . ?
C11 C10 C9 117.8(5) . . ?
C10 C11 C12 122.3(5) . . ?
C10 C11 H11 118.8 . . ?
C12 C11 H11 118.8 . . ?
C13 C12 C11 119.6(5) . . ?
C13 C12 C16 122.6(5) . . ?
C11 C12 C16 117.7(5) . . ?
C14 C13 C12 118.3(5) . . ?
C14 C13 C17 116.5(5) . . ?
C12 C13 C17 125.2(5) . . ?
C15 C14 C13 121.3(5) . . ?
C15 C14 H14 119.3 . . ?
C13 C14 H14 119.4 . . ?
C10 C15 C14 121.3(5) . . ?
C10 C15 H15 119.3 . . ?
C14 C15 H15 119.4 . . ?
O6 C16 O5 125.0(5) . . ?
O6 C16 C12 119.5(5) . . ?
O5 C16 C12 115.5(5) . . ?
O7 C17 O8 121.4(5) . . ?
O7 C17 C13 120.3(5) . . ?
O8 C17 C13 118.0(5) . . ?
F1 C18 F3 107.3(5) . . ?
F1 C18 F2 106.6(5) . . ?
F3 C18 F2 106.2(5) . . ?
F1 C18 C9 111.8(5) . . ?
F3 C18 C9 110.8(5) . . ?
F2 C18 C9 113.8(5) . . ?
F5 C19 F4 107.3(5) . . ?
F5 C19 F6 106.7(5) . . ?
F4 C19 F6 107.8(5) . . ?
F5 C19 C9 112.7(5) . . ?
F4 C19 C9 112.0(5) . . ?
F6 C19 C9 110.2(5) . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.171
_refine_diff_density_min         -1.089
_refine_diff_density_rms         0.132