# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2014

data_General
_audit_creation_date             2011-07-28
_audit_creation_method           'by CrystalStructure 4.0'
_audit_update_record             ?

#==============================================================================
# PROCESSING SUMMARY (IUCr Office Use Only)

_journal_date_recd_electronic    ?
_journal_date_from_coeditor      ?
_journal_date_accepted           ?
_journal_coeditor_code           ?

#==============================================================================
# SUBMISSION DETAILS

_publ_contact_author_name        'ENTER NAME'
_publ_contact_author_email       'ENTER EMAIL ADDRESS'
_publ_contact_author_fax         'ENTER FAX NUMBER'
_publ_contact_author_phone       'ENTER PHONE NUMBER'
_publ_contact_letter             
;
    ENTER TEXT OF LETTER
;
_publ_requested_journal          test
_publ_requested_category         'CHOOSE FI FM FO CI CM CO or AD'
_publ_requested_coeditor_name    ?

#==============================================================================
# TITLE AND AUTHOR LIST

_publ_section_title              
;
    ENTER SECTION TITLE
;
_publ_section_title_footnote     
;
    ENTER FOOTNOTE TO TITLE OF PAPER
;
loop_
_publ_author_name
_publ_author_footnote
_publ_author_address
' FIRST AUTHORS NAME '
;
  FIRST AUTHORS FOOTNOTES
;
;
  FIRST AUTHORS ADDRESS
;
_publ_section_synopsis           
;
    ENTER SYNOPSIS
;

#==============================================================================
# TEXT

_publ_section_abstract           
;
    ENTER ABSTRACT
;
_publ_section_comment            
;
    ENTER TEXT
;
_publ_section_references         
;
    ENTER OTHER REFERENCES

    Johnson, C.K. (1976). ORTEP-II. A FORTRAN Thermal-Ellipsoid Plot
    Program. Report ORNL-5138. Oak Ridge National Laboratory, 
    Tennessee, USA.

    Rigaku (1998). PROCESS-AUTO. Automatic Data Acquisition and Processing
    Package for Imaging Plate Diffractometer. Rigaku Corporation, Tokyo
    196-8666, Japan

    Rigaku (2000-2010). CrystalStructure 4.0.1: Crystal Structure Analysis 
    Package.  Rigaku Corporation, Tokyo 196-8666, Japan.
    
    Sheldrick, G.M. (1997). SHELXS97. Program for the Solution of Crystal
    Structures. University of Gottingen, Germany.

    Sheldrick, G.M. (1997). SHELXL97. University of Gottingen, Germany.

;
_publ_section_figure_captions    
;
    ENTER FIGURE CAPTIONS
;
_publ_section_exptl_prep         
;
    ENTER COMPOUND PREPARATION DETAILS
;
_publ_section_exptl_refinement   
;
    ENTER SPECIAL DETAILS OF THE REFINEMENT
;

#==============================================================================
data_RGK1877

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C101 H58 B Cl F60 N14 O22 Zn'
_chemical_formula_moiety         'C94 H50 B Cl F60 N14 O22 Zn, C7 H8'
_chemical_formula_weight         3071.20
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -X,-Y,-Z
#------------------------------------------------------------------------------
_cell_length_a                   18.0827(4)
_cell_length_b                   19.3030(4)
_cell_length_c                   20.4018(15)
_cell_angle_alpha                86.237(6)
_cell_angle_beta                 73.705(5)
_cell_angle_gamma                71.906(5)
_cell_volume                     6495.4(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    52676
_cell_measurement_theta_min      2.99
_cell_measurement_theta_max      54.28
_cell_measurement_temperature    93
#------------------------------------------------------------------------------
_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_size_max          0.110
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.020
_exptl_crystal_density_diffrn    1.570
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3060.00
_exptl_absorpt_coefficient_mu    1.870
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_correction_T_min  0.651
_exptl_absorpt_correction_T_max  0.963

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      93
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54187
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            61449
_diffrn_reflns_av_R_equivalents  0.0558
_diffrn_reflns_theta_max         54.23
_diffrn_reflns_theta_full        54.22
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measured_fraction_theta_full 0.985
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             15628
_reflns_number_gt                11098
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.1208
_refine_ls_wR_factor_ref         0.3870
_refine_ls_number_restraints     5109
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         15628
_refine_ls_number_parameters     1694
_refine_ls_goodness_of_fit_ref   1.519
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.044
_refine_diff_density_max         1.270
_refine_diff_density_min         -0.890
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
B B 0.0090 0.0039
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.3639 0.7018
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.0727 0.0534
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0311 0.0180
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0492 0.0322
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Zn Zn -1.5491 0.6778
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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
Zn1 Zn 0.55260(5) 0.50093(6) 0.57686(5) 0.0672(5) Uani 1.0 2 d U . .
Cl1 Cl 1.02010(13) 0.43973(15) 0.07484(11) 0.0901(8) Uani 1.0 2 d U . .
N1 N 0.5869(4) 0.3900(4) 0.5836(4) 0.0681(16) Uani 1.0 2 d U . .
N2 N 0.4958(4) 0.3816(4) 0.6946(4) 0.0727(17) Uani 1.0 2 d U . .
N3 N 0.4561(4) 0.5064(4) 0.6565(4) 0.0710(17) Uani 1.0 2 d U . .
N4 N 0.3863(4) 0.6365(4) 0.6578(4) 0.0663(15) Uani 1.0 2 d U . .
N5 N 0.4981(4) 0.6049(4) 0.5543(4) 0.0674(16) Uani 1.0 2 d U . .
N6 N 0.5951(4) 0.6147(4) 0.4467(4) 0.0666(16) Uani 1.0 2 d U . .
N7 N 0.6280(4) 0.4891(4) 0.4804(4) 0.0662(15) Uani 1.0 2 d U . .
N8 N 0.7022(4) 0.3609(4) 0.4839(4) 0.0685(16) Uani 1.0 2 d U . .
N9 N 0.9483(4) 0.4652(4) 0.2144(4) 0.0708(16) Uani 1.0 2 d U . .
N10 N 0.9038(4) 0.5938(4) 0.2211(4) 0.0771(18) Uani 1.0 2 d U . .
N11 N 1.0400(4) 0.5289(4) 0.1658(4) 0.0727(16) Uani 1.0 2 d U . .
N12 N 1.1772(4) 0.4772(4) 0.1634(4) 0.0721(16) Uani 1.0 2 d U . .
N13 N 1.0885(4) 0.4036(4) 0.1842(4) 0.0713(16) Uani 1.0 2 d U . .
N14 N 0.9971(4) 0.3465(4) 0.2570(4) 0.0732(17) Uani 1.0 2 d U . .
C1 C 0.6550(5) 0.3451(5) 0.5438(4) 0.0651(17) Uani 1.0 2 d U . .
C2 C 0.6719(3) 0.2738(3) 0.5736(3) 0.0661(17) Uani 1.0 2 d GU . .
C3 C 0.7364(3) 0.2100(3) 0.5566(3) 0.0722(19) Uani 1.0 2 d GU . .
C4 C 0.7364(3) 0.1492(3) 0.5970(3) 0.079(2) Uani 1.0 2 d GU . .
C5 C 0.6720(3) 0.1520(3) 0.6544(3) 0.080(2) Uani 1.0 2 d GU . .
C6 C 0.6075(3) 0.2158(3) 0.6713(3) 0.077(2) Uani 1.0 2 d GU . .
C7 C 0.6075(3) 0.2767(3) 0.6310(3) 0.0729(19) Uani 1.0 2 d GU . .
C8 C 0.5565(5) 0.3537(5) 0.6408(5) 0.0700(19) Uani 1.0 2 d U . .
C9 C 0.4509(5) 0.4521(5) 0.7028(5) 0.073(2) Uani 1.0 2 d U . .
C10 C 0.3884(3) 0.4829(3) 0.7649(3) 0.0706(19) Uani 1.0 2 d GU . .
C11 C 0.3563(3) 0.4528(2) 0.8258(3) 0.0740(19) Uani 1.0 2 d GDU . .
C12 C 0.2927(3) 0.4965(3) 0.8760(2) 0.076(2) Uani 1.0 2 d GU . .
C13 C 0.2612(3) 0.5704(3) 0.8652(3) 0.0701(18) Uani 1.0 2 d GU . .
C14 C 0.2933(3) 0.6006(2) 0.8043(3) 0.0669(18) Uani 1.0 2 d GU . .
C15 C 0.3569(3) 0.5568(3) 0.7541(2) 0.0659(18) Uani 1.0 2 d GU . .
C16 C 0.3998(5) 0.5709(5) 0.6856(5) 0.0672(18) Uani 1.0 2 d U . .
C17 C 0.4320(5) 0.6503(5) 0.5963(5) 0.0675(18) Uani 1.0 2 d U . .
C18 C 0.4160(3) 0.7237(3) 0.5679(3) 0.0671(18) Uani 1.0 2 d GU . .
C19 C 0.3591(3) 0.7907(3) 0.5904(3) 0.0672(18) Uani 1.0 2 d GU . .
C20 C 0.3661(3) 0.8534(2) 0.5549(3) 0.0725(18) Uani 1.0 2 d GDU . .
C21 C 0.4302(4) 0.8489(3) 0.4969(3) 0.078(2) Uani 1.0 2 d GDU . .
C22 C 0.4871(3) 0.7819(3) 0.4743(3) 0.0751(19) Uani 1.0 2 d GU . .
C23 C 0.4801(3) 0.7192(3) 0.5098(3) 0.0690(18) Uani 1.0 2 d GU . .
C24 C 0.5284(5) 0.6442(5) 0.5010(5) 0.0672(18) Uani 1.0 2 d U . .
C25 C 0.6386(5) 0.5465(5) 0.4394(5) 0.0693(19) Uani 1.0 2 d U . .
C26 C 0.7113(3) 0.5180(3) 0.3850(3) 0.0688(19) Uani 1.0 2 d GU . .
C27 C 0.7543(3) 0.5502(2) 0.3309(3) 0.075(2) Uani 1.0 2 d GU . .
H27 H 0.7340 0.6008 0.3234 0.0898 Uiso 1.0 2 calc R . .
C28 C 0.8268(3) 0.5083(3) 0.2879(3) 0.0729(19) Uani 1.0 2 d GU . .
C47 C 0.8564(3) 0.4342(3) 0.2990(3) 0.0722(19) Uani 1.0 2 d GU . .
C48 C 0.8135(3) 0.4020(2) 0.3530(3) 0.0684(19) Uani 1.0 2 d GU . .
H48 H 0.8337 0.3514 0.3606 0.0820 Uiso 1.0 2 calc R . .
C49 C 0.7410(3) 0.4439(3) 0.3960(3) 0.0678(18) Uani 1.0 2 d GU . .
C29 C 0.8905(5) 0.5282(5) 0.2364(4) 0.0731(19) Uani 1.0 2 d U . .
C30 C 0.9794(5) 0.5932(5) 0.1905(5) 0.0765(19) Uani 1.0 2 d U . .
C31 C 1.0220(3) 0.6487(3) 0.1835(3) 0.0759(19) Uani 1.0 2 d GU . .
C32 C 0.9946(3) 0.7235(3) 0.1965(3) 0.082(2) Uani 1.0 2 d GU . .
C33 C 1.0497(4) 0.7625(3) 0.1865(4) 0.089(2) Uani 1.0 2 d GU . .
C34 C 1.1322(3) 0.7267(3) 0.1637(4) 0.082(2) Uani 1.0 2 d GU . .
C35 C 1.1596(3) 0.6519(3) 0.1507(3) 0.0766(19) Uani 1.0 2 d GU . .
C36 C 1.1045(3) 0.6129(3) 0.1606(3) 0.0753(19) Uani 1.0 2 d GU . .
C37 C 1.1166(5) 0.5342(5) 0.1588(5) 0.0751(19) Uani 1.0 2 d U . .
C38 C 1.1628(5) 0.4129(5) 0.1828(5) 0.0725(18) Uani 1.0 2 d U . .
C39 C 1.2018(3) 0.3515(3) 0.2175(3) 0.0735(18) Uani 1.0 2 d GU . .
C40 C 1.2718(3) 0.3362(3) 0.2387(3) 0.0768(19) Uani 1.0 2 d GU . .
C41 C 1.2881(3) 0.2810(4) 0.2846(3) 0.0777(19) Uani 1.0 2 d GU . .
C42 C 1.2344(4) 0.2410(3) 0.3094(3) 0.0789(19) Uani 1.0 2 d GU . .
C43 C 1.1644(3) 0.2563(3) 0.2883(3) 0.0801(19) Uani 1.0 2 d GU . .
C44 C 1.1482(3) 0.3115(4) 0.2423(3) 0.0759(19) Uani 1.0 2 d GU . .
C45 C 1.0735(5) 0.3485(5) 0.2266(5) 0.0742(19) Uani 1.0 2 d U . .
C46 C 0.9371(5) 0.4055(5) 0.2534(4) 0.0710(19) Uani 1.0 2 d U . .
C50 C 0.6889(5) 0.4269(5) 0.4570(4) 0.0663(18) Uani 1.0 2 d U . .
B1 B 1.0250(6) 0.4593(6) 0.1614(5) 0.0714(19) Uani 1.0 2 d U . .
O1 O 0.8019(3) 0.2079(3) 0.4997(3) 0.0783(15) Uani 1.0 2 d DU . .
C51 C 0.8811(4) 0.1871(4) 0.5082(5) 0.089(3) Uani 1.0 2 d DU . .
H51A H 0.9171 0.1469 0.4756 0.1066 Uiso 1.0 2 calc R . .
H51B H 0.8798 0.1696 0.5551 0.1066 Uiso 1.0 2 calc R . .
C52 C 0.9122(4) 0.2496(4) 0.4963(4) 0.105(3) Uani 1.0 2 d DU . .
F1 F 0.8650(4) 0.3056(4) 0.5410(4) 0.131(2) Uani 1.0 2 d DU . .
F2 F 0.9167(3) 0.2760(4) 0.4341(3) 0.1132(18) Uani 1.0 2 d DU . .
F3 F 0.9860(3) 0.2331(4) 0.5055(3) 0.1151(18) Uani 1.0 2 d DU . .
O2 O 0.8021(4) 0.0876(3) 0.5825(3) 0.0863(16) Uani 1.0 2 d DU . .
C53 C 0.7944(4) 0.0253(5) 0.5547(5) 0.114(3) Uani 1.0 2 d DU . .
H53A H 0.7509 0.0405 0.5313 0.1372 Uiso 1.0 2 calc R . .
H53B H 0.7799 -0.0078 0.5918 0.1372 Uiso 1.0 2 calc R . .
C54 C 0.8713(5) -0.0126(4) 0.5060(4) 0.134(3) Uani 1.0 2 d DU . .
F4 F 0.8906(5) 0.0287(4) 0.4519(3) 0.140(3) Uani 1.0 2 d DU . .
F5 F 0.9334(4) -0.0313(4) 0.5328(4) 0.162(3) Uani 1.0 2 d DU . .
F6 F 0.8693(5) -0.0736(4) 0.4801(4) 0.169(3) Uani 1.0 2 d DU . .
O3 O 0.6703(4) 0.0881(4) 0.6869(3) 0.0874(16) Uani 1.0 2 d DU . .
C55 C 0.6914(6) 0.0784(4) 0.7487(4) 0.098(3) Uani 1.0 2 d DU . .
H55A H 0.6652 0.1238 0.7769 0.1174 Uiso 1.0 2 calc R . .
H55B H 0.7507 0.0668 0.7396 0.1174 Uiso 1.0 2 calc R . .
C56 C 0.6648(5) 0.0184(5) 0.7854(4) 0.129(3) Uani 1.0 2 d DU . .
F7 F 0.6900(5) 0.0039(5) 0.8420(4) 0.173(3) Uani 1.0 2 d DU . .
F8 F 0.6936(4) -0.0432(3) 0.7488(4) 0.132(2) Uani 1.0 2 d DU . .
F9 F 0.5843(4) 0.0337(4) 0.8057(4) 0.165(3) Uani 1.0 2 d DU . .
O4 O 0.5503(3) 0.2114(4) 0.7322(4) 0.0996(19) Uani 1.0 2 d DU . .
C57 C 0.4666(4) 0.2373(4) 0.7373(5) 0.092(3) Uani 1.0 2 d DU . .
H57A H 0.4578 0.2394 0.6913 0.1106 Uiso 1.0 2 calc R . .
H57B H 0.4429 0.2869 0.7582 0.1106 Uiso 1.0 2 calc R . .
C58 C 0.4278(4) 0.1869(5) 0.7801(4) 0.108(3) Uani 1.0 2 d DU . .
F10 F 0.4474(4) 0.1766(4) 0.8398(3) 0.127(2) Uani 1.0 2 d DU . .
F11 F 0.4499(4) 0.1214(3) 0.7515(4) 0.139(3) Uani 1.0 2 d DU . .
F12 F 0.3476(3) 0.2134(4) 0.7952(4) 0.134(2) Uani 1.0 2 d DU . .
O5 O 0.3917(6) 0.3776(4) 0.8366(6) 0.075(3) Uiso 0.702(8) 2 d PDU A 1
C59 C 0.4291(4) 0.3602(7) 0.8902(5) 0.094(4) Uiso 0.702(8) 2 d PDU A 1
H59A H 0.4231 0.3134 0.9099 0.1134 Uiso 0.702(8) 2 calc PR A 1
H59B H 0.4016 0.3984 0.9266 0.1134 Uiso 0.702(8) 2 calc PR A 1
C60 C 0.5146(5) 0.3545(5) 0.8667(5) 0.099(4) Uiso 0.702(8) 2 d PDU A 1
F13 F 0.5271(5) 0.4172(4) 0.8402(4) 0.115(3) Uiso 0.702(8) 2 d PDU A 1
F14 F 0.5577(5) 0.3030(4) 0.8190(4) 0.105(3) Uiso 0.702(8) 2 d PDU A 1
F15 F 0.5504(5) 0.3401(4) 0.9180(4) 0.106(3) Uiso 0.702(8) 2 d PDU A 1
O5A O 0.3926(14) 0.3840(7) 0.8475(12) 0.079(4) Uiso 0.298(8) 2 d PDU A 2
C59A C 0.4626(12) 0.3741(12) 0.8696(10) 0.096(5) Uiso 0.298(8) 2 d PDU A 2
H59C H 0.4649 0.4218 0.8825 0.1148 Uiso 0.298(8) 2 calc PR A 2
H59D H 0.5117 0.3517 0.8323 0.1148 Uiso 0.298(8) 2 calc PR A 2
C60A C 0.4589(9) 0.3263(8) 0.9289(7) 0.106(5) Uiso 0.298(8) 2 d PDU A 2
F13A F 0.4039(9) 0.3624(9) 0.9848(9) 0.127(7) Uiso 0.298(8) 2 d PDU A 2
F14A F 0.5286(8) 0.3015(9) 0.9444(9) 0.098(5) Uiso 0.298(8) 2 d PDU A 2
F15A F 0.4358(11) 0.2694(8) 0.9191(9) 0.119(7) Uiso 0.298(8) 2 d PDU A 2
O6 O 0.2624(3) 0.4660(4) 0.9365(3) 0.0883(17) Uani 1.0 2 d DU . .
C61 C 0.1873(4) 0.4538(4) 0.9444(5) 0.103(3) Uani 1.0 2 d DU . .
H61A H 0.1545 0.4916 0.9200 0.1238 Uiso 1.0 2 calc R . .
H61B H 0.1573 0.4577 0.9934 0.1238 Uiso 1.0 2 calc R . .
C62 C 0.1989(5) 0.3822(4) 0.9176(4) 0.116(3) Uani 1.0 2 d DU . .
F16 F 0.1282(4) 0.3670(4) 0.9302(3) 0.129(2) Uani 1.0 2 d DU . .
F17 F 0.2472(4) 0.3280(4) 0.9442(4) 0.142(3) Uani 1.0 2 d DU . .
F18 F 0.2311(4) 0.3759(4) 0.8495(3) 0.1222(19) Uani 1.0 2 d DU . .
O7 O 0.2027(3) 0.6103(3) 0.9192(3) 0.0731(14) Uani 1.0 2 d DU . .
C63 C 0.1293(4) 0.6562(4) 0.9073(3) 0.080(2) Uani 1.0 2 d DU . .
H63A H 0.1055 0.6278 0.8851 0.0954 Uiso 1.0 2 calc R . .
H63B H 0.1400 0.6961 0.8769 0.0954 Uiso 1.0 2 calc R . .
C64 C 0.0730(4) 0.6865(4) 0.9733(4) 0.091(2) Uani 1.0 2 d DU . .
F19 F 0.0586(3) 0.6334(3) 1.0168(3) 0.0976(15) Uani 1.0 2 d DU . .
F20 F 0.0016(3) 0.7274(3) 0.9667(3) 0.1073(17) Uani 1.0 2 d DU . .
F21 F 0.1019(3) 0.7261(3) 1.0055(3) 0.1018(16) Uani 1.0 2 d DU . .
O8 O 0.2654(3) 0.6776(3) 0.7982(3) 0.0720(14) Uani 1.0 2 d DU . .
C65 C 0.3203(4) 0.7158(4) 0.7976(3) 0.0767(19) Uani 1.0 2 d DU . .
H65A H 0.3169 0.7536 0.7624 0.0920 Uiso 1.0 2 calc R . .
H65B H 0.3760 0.6816 0.7853 0.0920 Uiso 1.0 2 calc R . .
C66 C 0.3035(4) 0.7502(4) 0.8639(4) 0.093(2) Uani 1.0 2 d DU . .
F22 F 0.2256(3) 0.7918(3) 0.8867(3) 0.1137(18) Uani 1.0 2 d DU . .
F23 F 0.3481(3) 0.7947(3) 0.8612(3) 0.1019(16) Uani 1.0 2 d DU . .
F24 F 0.3170(4) 0.7028(3) 0.9129(3) 0.1115(17) Uani 1.0 2 d DU . .
O9 O 0.2961(3) 0.8006(3) 0.6492(3) 0.0701(14) Uani 1.0 2 d DU . .
C67 C 0.2372(3) 0.7649(4) 0.6540(4) 0.0718(19) Uani 1.0 2 d DU . .
H67A H 0.2526 0.7171 0.6757 0.0862 Uiso 1.0 2 calc R . .
H67B H 0.2336 0.7564 0.6079 0.0862 Uiso 1.0 2 calc R . .
C68 C 0.1590(4) 0.8110(4) 0.6952(4) 0.082(2) Uani 1.0 2 d DU . .
F25 F 0.1318(3) 0.8739(3) 0.6642(3) 0.1012(16) Uani 1.0 2 d DU . .
F26 F 0.1608(3) 0.8301(3) 0.7559(3) 0.0970(15) Uani 1.0 2 d DU . .
F27 F 0.1024(3) 0.7773(3) 0.7059(3) 0.0961(15) Uani 1.0 2 d DU . .
O10 O 0.3113(8) 0.9198(6) 0.5740(8) 0.078(3) Uiso 0.576(11) 2 d PDU B 3
C69 C 0.3077(9) 0.9552(6) 0.6334(8) 0.104(4) Uiso 0.576(11) 2 d PDU B 3
H69A H 0.3612 0.9606 0.6304 0.1243 Uiso 0.576(11) 2 calc PR B 3
H69B H 0.2930 0.9260 0.6738 0.1243 Uiso 0.576(11) 2 calc PR B 3
C70 C 0.2468(7) 1.0273(6) 0.6403(6) 0.148(4) Uiso 0.576(11) 2 d PDU B 3
F28 F 0.2687(8) 1.0682(7) 0.5861(6) 0.154(5) Uiso 0.576(11) 2 d PDU B 3
F29 F 0.2382(9) 1.0638(7) 0.6957(6) 0.143(4) Uiso 0.576(11) 2 d PDU B 3
F30 F 0.1738(7) 1.0240(8) 0.6412(8) 0.182(6) Uiso 0.576(11) 2 d PDU B 3
O10A O 0.3045(11) 0.9166(7) 0.5675(11) 0.081(4) Uiso 0.424(11) 2 d PDU B 4
C69A C 0.2850(14) 0.9434(7) 0.6347(9) 0.106(5) Uiso 0.424(11) 2 d PDU B 4
H69C H 0.3232 0.9116 0.6586 0.1270 Uiso 0.424(11) 2 calc PR B 4
H69D H 0.2298 0.9427 0.6597 0.1270 Uiso 0.424(11) 2 calc PR B 4
C70A C 0.2891(10) 1.0176(7) 0.6343(8) 0.143(5) Uiso 0.424(11) 2 d PDU B 4
F28A F 0.3650(9) 1.0200(11) 0.6039(10) 0.192(8) Uiso 0.424(11) 2 d PDU B 4
F29A F 0.2696(12) 1.0465(9) 0.6968(7) 0.144(5) Uiso 0.424(11) 2 d PDU B 4
F30A F 0.2415(12) 1.0628(9) 0.5997(10) 0.163(5) Uiso 0.424(11) 2 d PDU B 4
O11 O 0.4417(6) 0.9158(4) 0.4741(4) 0.086(3) Uiso 0.727(7) 2 d PDU C 5
C71 C 0.4607(8) 0.9309(4) 0.4039(5) 0.104(4) Uiso 0.727(7) 2 d PDU C 5
H71A H 0.4335 0.9070 0.3806 0.1242 Uiso 0.727(7) 2 calc PR C 5
H71B H 0.5198 0.9111 0.3833 0.1242 Uiso 0.727(7) 2 calc PR C 5
C72 C 0.4342(6) 1.0096(5) 0.3944(5) 0.118(4) Uiso 0.727(7) 2 d PDU C 5
F31 F 0.3525(5) 1.0371(5) 0.4167(5) 0.144(4) Uiso 0.727(7) 2 d PDU C 5
F32 F 0.4521(6) 1.0268(5) 0.3286(4) 0.133(3) Uiso 0.727(7) 2 d PDU C 5
F33 F 0.4626(6) 1.0473(5) 0.4279(5) 0.128(3) Uiso 0.727(7) 2 d PDU C 5
O11A O 0.4128(12) 0.9071(9) 0.4533(10) 0.085(4) Uiso 0.273(7) 2 d PDU C 6
C71A C 0.4743(12) 0.9400(9) 0.4333(16) 0.106(5) Uiso 0.273(7) 2 d PDU C 6
H71C H 0.5179 0.9117 0.3947 0.1274 Uiso 0.273(7) 2 calc PR C 6
H71D H 0.4978 0.9398 0.4717 0.1274 Uiso 0.273(7) 2 calc PR C 6
C72A C 0.4431(11) 1.0149(8) 0.4127(10) 0.119(4) Uiso 0.273(7) 2 d PDU C 6
F31A F 0.3917(13) 1.0579(11) 0.4664(10) 0.135(5) Uiso 0.273(7) 2 d PDU C 6
F32A F 0.4026(14) 1.0216(12) 0.3665(11) 0.132(5) Uiso 0.273(7) 2 d PDU C 6
F33A F 0.5025(12) 1.0449(12) 0.3874(13) 0.141(6) Uiso 0.273(7) 2 d PDU C 6
O12 O 0.5520(3) 0.7806(4) 0.4160(3) 0.0847(16) Uani 1.0 2 d DU . .
C73 C 0.6263(4) 0.7739(5) 0.4307(4) 0.104(3) Uani 1.0 2 d DU . .
H73A H 0.6450 0.7265 0.4520 0.1247 Uiso 1.0 2 calc R . .
H73B H 0.6185 0.8132 0.4632 0.1247 Uiso 1.0 2 calc R . .
C74 C 0.6865(4) 0.7789(5) 0.3677(4) 0.116(3) Uani 1.0 2 d DU . .
F34 F 0.6634(4) 0.8456(3) 0.3397(4) 0.130(2) Uani 1.0 2 d DU . .
F35 F 0.6981(4) 0.7311(3) 0.3190(3) 0.1198(19) Uani 1.0 2 d DU . .
F36 F 0.7581(3) 0.7735(4) 0.3769(4) 0.136(3) Uani 1.0 2 d DU . .
O13 O 0.9122(4) 0.7620(4) 0.2233(3) 0.0901(17) Uani 1.0 2 d DU . .
C75 C 0.8579(5) 0.7650(4) 0.1852(4) 0.101(3) Uani 1.0 2 d DU . .
H75A H 0.8033 0.7714 0.2166 0.1215 Uiso 1.0 2 calc R . .
H75B H 0.8747 0.7184 0.1595 0.1215 Uiso 1.0 2 calc R . .
C76 C 0.8546(5) 0.8250(4) 0.1375(4) 0.113(3) Uani 1.0 2 d DU . .
F37 F 0.8031(4) 0.8264(4) 0.1003(3) 0.129(2) Uani 1.0 2 d DU . .
F38 F 0.9250(3) 0.8199(4) 0.0927(3) 0.1158(18) Uani 1.0 2 d DU . .
F39 F 0.8287(5) 0.8905(3) 0.1683(4) 0.153(3) Uani 1.0 2 d DU . .
O14 O 1.0244(4) 0.8366(4) 0.1987(3) 0.0976(18) Uani 1.0 2 d DU . .
C77 C 0.9900(5) 0.8627(6) 0.2669(4) 0.114(3) Uani 1.0 2 d DU . .
H77A H 0.9594 0.8306 0.2932 0.1370 Uiso 1.0 2 calc R . .
H77B H 0.9517 0.9123 0.2680 0.1370 Uiso 1.0 2 calc R . .
C78 C 1.0520(5) 0.8648(5) 0.2989(4) 0.124(3) Uani 1.0 2 d DU . .
F40 F 1.0185(5) 0.8950(4) 0.3624(3) 0.148(3) Uani 1.0 2 d DU . .
F41 F 1.0987(5) 0.9037(4) 0.2645(4) 0.145(3) Uani 1.0 2 d DU . .
F42 F 1.1011(4) 0.7983(3) 0.3069(4) 0.129(2) Uani 1.0 2 d DU . .
O15 O 1.1869(4) 0.7648(4) 0.1508(4) 0.0990(18) Uani 1.0 2 d DU . .
C79 C 1.1856(6) 0.8103(6) 0.0930(5) 0.133(3) Uani 1.0 2 d DU . .
H79A H 1.1316 0.8471 0.1003 0.1597 Uiso 1.0 2 calc R . .
H79B H 1.1959 0.7805 0.0518 0.1597 Uiso 1.0 2 calc R . .
C80 C 1.2474(6) 0.8466(5) 0.0832(5) 0.168(4) Uani 1.0 2 d DU . .
F43 F 1.2301(7) 0.8924(6) 0.1372(4) 0.220(4) Uani 1.0 2 d DU . .
F44 F 1.2521(5) 0.8889(4) 0.0295(4) 0.162(3) Uani 1.0 2 d DU . .
F45 F 1.3204(5) 0.8016(5) 0.0796(6) 0.236(4) Uani 1.0 2 d DU . .
O16 O 1.2436(5) 0.6233(8) 0.1297(6) 0.072(4) Uiso 0.498(10) 2 d PDU D 7
C81 C 1.2689(6) 0.5852(8) 0.0651(6) 0.082(4) Uiso 0.498(10) 2 d PDU D 7
H81A H 1.2368 0.6128 0.0345 0.0982 Uiso 0.498(10) 2 calc PR D 7
H81B H 1.2612 0.5364 0.0717 0.0982 Uiso 0.498(10) 2 calc PR D 7
C82 C 1.3548(6) 0.5783(6) 0.0353(5) 0.093(4) Uiso 0.498(10) 2 d PDU D 7
F46 F 1.3658(7) 0.6444(5) 0.0222(6) 0.121(4) Uiso 0.498(10) 2 d PDU D 7
F47 F 1.3994(7) 0.5471(7) 0.0772(6) 0.102(4) Uiso 0.498(10) 2 d PDU D 7
F48 F 1.3864(8) 0.5411(7) -0.0243(5) 0.113(4) Uiso 0.498(10) 2 d PDU D 7
O16A O 1.2415(5) 0.6079(7) 0.1263(6) 0.073(4) Uiso 0.502(10) 2 d PDU D 8
C81A C 1.2865(8) 0.6193(5) 0.0598(6) 0.083(4) Uiso 0.502(10) 2 d PDU D 8
H81C H 1.3104 0.6586 0.0615 0.0994 Uiso 0.502(10) 2 calc PR D 8
H81D H 1.2502 0.6348 0.0297 0.0994 Uiso 0.502(10) 2 calc PR D 8
C82A C 1.3506(6) 0.5526(5) 0.0321(5) 0.090(4) Uiso 0.502(10) 2 d PDU D 8
F46A F 1.3223(6) 0.4965(5) 0.0288(5) 0.100(4) Uiso 0.502(10) 2 d PDU D 8
F47A F 1.4041(7) 0.5284(6) 0.0678(6) 0.091(4) Uiso 0.502(10) 2 d PDU D 8
F48A F 1.3919(7) 0.5614(6) -0.0325(5) 0.104(4) Uiso 0.502(10) 2 d PDU D 8
O17 O 1.3266(3) 0.3762(4) 0.2192(3) 0.0882(16) Uani 1.0 2 d DU . .
C83 C 1.3595(4) 0.3830(6) 0.1486(4) 0.104(3) Uani 1.0 2 d DU . .
H83A H 1.3364 0.4335 0.1349 0.1244 Uiso 1.0 2 calc R . .
H83B H 1.3456 0.3497 0.1225 0.1244 Uiso 1.0 2 calc R . .
C84 C 1.4475(4) 0.3649(5) 0.1333(4) 0.151(3) Uani 1.0 2 d DU . .
F49 F 1.4679(4) 0.4084(5) 0.1698(4) 0.178(3) Uani 1.0 2 d DU . .
F50 F 1.4826(4) 0.3730(5) 0.0685(3) 0.168(3) Uani 1.0 2 d DU . .
F51 F 1.4828(4) 0.2969(4) 0.1499(5) 0.200(4) Uani 1.0 2 d DU . .
O18 O 1.3519(3) 0.2728(3) 0.3121(4) 0.0853(16) Uani 1.0 2 d DU . .
C85 C 1.4190(4) 0.2099(4) 0.2887(4) 0.089(3) Uani 1.0 2 d DU . .
H85A H 1.4402 0.2104 0.2384 0.1069 Uiso 1.0 2 calc R . .
H85B H 1.4024 0.1654 0.3007 0.1069 Uiso 1.0 2 calc R . .
C86 C 1.4816(4) 0.2102(4) 0.3214(4) 0.098(3) Uani 1.0 2 d DU . .
F52 F 1.5046(3) 0.2713(3) 0.3075(3) 0.1062(17) Uani 1.0 2 d DU . .
F53 F 1.5481(3) 0.1548(3) 0.3005(3) 0.1201(19) Uani 1.0 2 d DU . .
F54 F 1.4561(3) 0.2097(4) 0.3892(3) 0.1140(18) Uani 1.0 2 d DU . .
O19 O 1.2561(4) 0.1862(4) 0.3544(3) 0.0914(17) Uani 1.0 2 d DU . .
C87 C 1.1998(6) 0.1839(5) 0.4178(4) 0.114(3) Uani 1.0 2 d DU . .
H87A H 1.2147 0.1345 0.4366 0.1372 Uiso 1.0 2 calc R . .
H87B H 1.1452 0.1943 0.4111 0.1372 Uiso 1.0 2 calc R . .
C88 C 1.1981(6) 0.2371(6) 0.4657(4) 0.159(3) Uani 1.0 2 d DU . .
F55 F 1.1520(4) 0.2295(5) 0.5289(3) 0.144(3) Uani 1.0 2 d DU . .
F56 F 1.1674(6) 0.3056(4) 0.4475(5) 0.204(4) Uani 1.0 2 d DU . .
F57 F 1.2704(4) 0.2325(6) 0.4730(4) 0.201(4) Uani 1.0 2 d DU . .
O20 O 1.1159(4) 0.2112(3) 0.3146(3) 0.0796(15) Uani 1.0 2 d DU . .
C89 C 1.0925(5) 0.1768(4) 0.2689(4) 0.087(2) Uani 1.0 2 d DU . .
H89A H 1.1363 0.1639 0.2257 0.1040 Uiso 1.0 2 calc R . .
H89B H 1.0436 0.2103 0.2583 0.1040 Uiso 1.0 2 calc R . .
C90 C 1.0754(4) 0.1106(4) 0.2999(4) 0.097(3) Uani 1.0 2 d DU . .
F58 F 1.1413(3) 0.0616(3) 0.3125(4) 0.123(2) Uani 1.0 2 d DU . .
F59 F 1.0492(4) 0.0779(3) 0.2598(3) 0.1173(18) Uani 1.0 2 d DU . .
F60 F 1.0196(3) 0.1250(3) 0.3603(3) 0.1025(16) Uani 1.0 2 d DU . .
C91 C 0.7187(7) 0.5756(6) 0.5773(6) 0.098(3) Uani 1.0 2 d U . .
H91A H 0.7690 0.5806 0.5826 0.1174 Uiso 1.0 2 calc R . .
H91B H 0.6780 0.6237 0.5821 0.1174 Uiso 1.0 2 calc R . .
H91C H 0.7289 0.5545 0.5320 0.1174 Uiso 1.0 2 calc R . .
C92 C 0.6881(6) 0.5262(6) 0.6316(5) 0.085(2) Uani 1.0 2 d U . .
O21 O 0.6287(4) 0.5111(4) 0.6382(3) 0.0782(15) Uani 1.0 2 d U . .
O22 O 0.7375(4) 0.5011(4) 0.6730(4) 0.0982(18) Uani 1.0 2 d U . .
C93 C 0.7094(7) 0.4556(6) 0.7286(6) 0.104(3) Uani 1.0 2 d U . .
H93A H 0.6496 0.4731 0.7448 0.1243 Uiso 1.0 2 calc R . .
H93B H 0.7309 0.4595 0.7673 0.1243 Uiso 1.0 2 calc R . .
C94 C 0.7367(8) 0.3777(6) 0.7052(7) 0.113(3) Uani 1.0 2 d U . .
H94A H 0.7195 0.3478 0.7436 0.1353 Uiso 1.0 2 calc R . .
H94B H 0.7958 0.3609 0.6878 0.1353 Uiso 1.0 2 calc R . .
H94C H 0.7127 0.3734 0.6687 0.1353 Uiso 1.0 2 calc R . .
C95 C 1.0109(7) 0.4134(7) 0.6299(6) 0.219(6) Uani 1.0 2 d GU . .
C96 C 0.9374(6) 0.4685(8) 0.6511(7) 0.205(6) Uani 1.0 2 d GU . .
H96 H 0.8901 0.4568 0.6760 0.2465 Uiso 1.0 2 calc R . .
C97 C 0.9334(8) 0.5408(7) 0.6359(8) 0.211(6) Uani 1.0 2 d GU . .
H97 H 0.8834 0.5784 0.6503 0.2531 Uiso 1.0 2 calc R . .
C98 C 1.0029(10) 0.5581(7) 0.5995(7) 0.216(6) Uani 1.0 2 d GU . .
H98 H 1.0002 0.6073 0.5891 0.2591 Uiso 1.0 2 calc R . .
C99 C 1.0764(8) 0.5030(9) 0.5782(8) 0.224(6) Uani 1.0 2 d GU . .
H99 H 1.1238 0.5147 0.5534 0.2690 Uiso 1.0 2 calc R . .
C100 C 1.0804(6) 0.4307(8) 0.5935(7) 0.224(6) Uani 1.0 2 d GU . .
H100 H 1.1305 0.3931 0.5790 0.2686 Uiso 1.0 2 calc R . .
C101 C 1.0149(12) 0.3394(7) 0.6455(9) 0.226(7) Uani 1.0 2 d GU . .
H10A H 0.9612 0.3370 0.6711 0.2709 Uiso 1.0 2 calc R . .
H10B H 1.0530 0.3199 0.6731 0.2709 Uiso 1.0 2 calc R . .
H10C H 1.0335 0.3105 0.6030 0.2709 Uiso 1.0 2 calc R . .



#==============================================================================
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_cell_refinement       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku, 2000-2010)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_publication_material  'CrystalStructure (Rigaku, 2000-2010)'
_computing_molecular_graphics    'ORTEP (Johnson, 1976)'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Zn1 N1 2.043(7) yes . .
Zn1 N3 2.004(6) yes . .
Zn1 N5 2.028(7) yes . .
Zn1 N7 2.036(6) yes . .
Zn1 O21 2.160(8) yes . .
Cl1 B1 1.862(12) yes . .
N1 C1 1.340(9) yes . .
N1 C8 1.389(11) yes . .
N2 C8 1.316(9) yes . .
N2 C9 1.343(10) yes . .
N3 C9 1.372(12) yes . .
N3 C16 1.381(10) yes . .
N4 C16 1.333(11) yes . .
N4 C17 1.356(10) yes . .
N5 C17 1.345(9) yes . .
N5 C24 1.369(11) yes . .
N6 C24 1.383(9) yes . .
N6 C25 1.299(10) yes . .
N7 C25 1.373(12) yes . .
N7 C50 1.356(9) yes . .
N8 C1 1.359(10) yes . .
N8 C50 1.332(11) yes . .
N9 C29 1.338(10) yes . .
N9 C46 1.392(12) yes . .
N9 B1 1.477(11) yes . .
N10 C29 1.362(13) yes . .
N10 C30 1.330(11) yes . .
N11 C30 1.387(10) yes . .
N11 C37 1.388(12) yes . .
N11 B1 1.462(15) yes . .
N12 C37 1.309(10) yes . .
N12 C38 1.359(13) yes . .
N13 C38 1.400(12) yes . .
N13 C45 1.373(12) yes . .
N13 B1 1.468(12) yes . .
N14 C45 1.358(11) yes . .
N14 C46 1.321(10) yes . .
C1 C2 1.445(10) yes . .
C2 C3 1.390 yes . .
C2 C7 1.390 yes . .
C3 C4 1.390 yes . .
C3 O1 1.400(7) yes . .
C4 C5 1.390 yes . .
C4 O2 1.373(6) yes . .
C5 C6 1.390 yes . .
C5 O3 1.368(8) yes . .
C6 C7 1.390 yes . .
C6 O4 1.393(8) yes . .
C7 C8 1.478(9) yes . .
C9 C10 1.454(9) yes . .
C10 C11 1.390 yes . .
C10 C15 1.390 yes . .
C11 C12 1.390 yes . .
C11 O5 1.423(8) yes . .
C11 O5A 1.391(17) yes . .
C12 C13 1.390 yes . .
C12 O6 1.377(8) yes . .
C13 C14 1.390 yes . .
C13 O7 1.370(6) yes . .
C14 C15 1.390 yes . .
C14 O8 1.423(7) yes . .
C15 C16 1.450(9) yes . .
C17 C18 1.468(10) yes . .
C18 C19 1.390 yes . .
C18 C23 1.390 yes . .
C19 C20 1.390 yes . .
C19 O9 1.378(6) yes . .
C20 C21 1.390 yes . .
C20 O10 1.357(11) yes . .
C20 O10A 1.355(14) yes . .
C21 C22 1.390 yes . .
C21 O11 1.399 yes . .
C21 O11A 1.399(19) yes . .
C22 C23 1.390 yes . .
C22 O12 1.414(7) yes . .
C23 C24 1.433(9) yes . .
C25 C26 1.441(8) yes . .
C26 C27 1.390 yes . .
C26 C49 1.390 yes . .
C27 C28 1.390 yes . .
C28 C47 1.390 yes . .
C28 C29 1.458(10) yes . .
C47 C48 1.390 yes . .
C47 C46 1.452(8) yes . .
C48 C49 1.390 yes . .
C49 C50 1.422(9) yes . .
C30 C31 1.481(13) yes . .
C31 C32 1.390 yes . .
C31 C36 1.390 yes . .
C32 C33 1.390 yes . .
C32 O13 1.407(7) yes . .
C33 C34 1.390(7) yes . .
C33 O14 1.376(8) yes . .
C34 C35 1.390 yes . .
C34 O15 1.368(10) yes . .
C35 C36 1.390 yes . .
C35 O16 1.394(9) yes . .
C35 O16A 1.423(9) yes . .
C36 C37 1.468(11) yes . .
C38 C39 1.433(10) yes . .
C39 C40 1.390 yes . .
C39 C44 1.390 yes . .
C40 C41 1.390 yes . .
C40 O17 1.395(9) yes . .
C41 C42 1.390 yes . .
C41 O18 1.383(9) yes . .
C42 C43 1.390 yes . .
C42 O19 1.391(8) yes . .
C43 C44 1.390 yes . .
C43 O20 1.402(9) yes . .
C44 C45 1.431(10) yes . .
O1 C51 1.419(9) yes . .
C51 C52 1.461(12) yes . .
C52 F1 1.359(9) yes . .
C52 F2 1.327(10) yes . .
C52 F3 1.337(9) yes . .
O2 C53 1.422(12) yes . .
C53 C54 1.465(10) yes . .
C54 F4 1.347(10) yes . .
C54 F5 1.326(12) yes . .
C54 F6 1.337(12) yes . .
O3 C55 1.402(11) yes . .
C55 C56 1.470(12) yes . .
C56 F7 1.340(12) yes . .
C56 F8 1.326(10) yes . .
C56 F9 1.338(11) yes . .
O4 C57 1.414(8) yes . .
C57 C58 1.472(11) yes . .
C58 F10 1.348(11) yes . .
C58 F11 1.323(10) yes . .
C58 F12 1.330(8) yes . .
O5 C59 1.411(16) yes . .
C59 C60 1.455(11) yes . .
C60 F13 1.350(12) yes . .
C60 F14 1.327(10) yes . .
C60 F15 1.351(13) yes . .
O5A C59A 1.41(4) yes . .
C59A C60A 1.47(3) yes . .
C60A F13A 1.347(19) yes . .
C60A F14A 1.32(3) yes . .
C60A F15A 1.34(3) yes . .
O6 C61 1.413(11) yes . .
C61 C62 1.451(12) yes . .
C62 F16 1.352(11) yes . .
C62 F17 1.333(10) yes . .
C62 F18 1.346(9) yes . .
O7 C63 1.423(8) yes . .
C63 C64 1.468(8) yes . .
C64 F19 1.351(9) yes . .
C64 F20 1.325(8) yes . .
C64 F21 1.340(11) yes . .
O8 C65 1.405(11) yes . .
C65 C66 1.458(10) yes . .
C66 F22 1.351(8) yes . .
C66 F23 1.338(11) yes . .
C66 F24 1.332(9) yes . .
O9 C67 1.418(9) yes . .
C67 C68 1.466(7) yes . .
C68 F25 1.348(8) yes . .
C68 F26 1.328(10) yes . .
C68 F27 1.337(9) yes . .
O10 C69 1.41(3) yes . .
C69 C70 1.467(14) yes . .
C70 F28 1.355(17) yes . .
C70 F29 1.317(18) yes . .
C70 F30 1.337(19) yes . .
O10A C69A 1.41(3) yes . .
C69A C70A 1.46(2) yes . .
C70A F28A 1.35(3) yes . .
C70A F29A 1.33(2) yes . .
C70A F30A 1.34(3) yes . .
O11 C71 1.410(12) yes . .
C71 C72 1.463(11) yes . .
C72 F31 1.356(12) yes . .
C72 F32 1.333(12) yes . .
C72 F33 1.323(16) yes . .
O11A C71A 1.40(3) yes . .
C71A C72A 1.46(3) yes . .
C72A F31A 1.35(3) yes . .
C72A F32A 1.33(4) yes . .
C72A F33A 1.34(3) yes . .
O12 C73 1.423(10) yes . .
C73 C74 1.453(10) yes . .
C74 F34 1.364(10) yes . .
C74 F35 1.329(11) yes . .
C74 F36 1.333(10) yes . .
O13 C75 1.399(12) yes . .
C75 C76 1.461(11) yes . .
C76 F37 1.349(12) yes . .
C76 F38 1.323(9) yes . .
C76 F39 1.336(10) yes . .
O14 C77 1.410(10) yes . .
C77 C78 1.457(14) yes . .
C78 F40 1.351(10) yes . .
C78 F41 1.328(12) yes . .
C78 F42 1.345(10) yes . .
O15 C79 1.424(13) yes . .
C79 C80 1.458(17) yes . .
C80 F43 1.363(14) yes . .
C80 F44 1.322(12) yes . .
C80 F45 1.321(12) yes . .
O16 C81 1.438(17) yes . .
C81 C82 1.467(14) yes . .
C82 F46 1.348(16) yes . .
C82 F47 1.328(17) yes . .
C82 F48 1.339(14) yes . .
O16A C81A 1.416(15) yes . .
C81A C82A 1.456(12) yes . .
C82A F46A 1.347(16) yes . .
C82A F47A 1.326(16) yes . .
C82A F48A 1.349(12) yes . .
O17 C83 1.409(9) yes . .
C83 C84 1.465(9) yes . .
C84 F49 1.349(14) yes . .
C84 F50 1.318(10) yes . .
C84 F51 1.337(11) yes . .
O18 C85 1.418(8) yes . .
C85 C86 1.469(12) yes . .
C86 F52 1.356(10) yes . .
C86 F53 1.320(7) yes . .
C86 F54 1.330(9) yes . .
O19 C87 1.411(9) yes . .
C87 C88 1.453(14) yes . .
C88 F55 1.352(9) yes . .
C88 F56 1.338(12) yes . .
C88 F57 1.332(14) yes . .
O20 C89 1.403(12) yes . .
C89 C90 1.470(10) yes . .
C90 F58 1.350(9) yes . .
C90 F59 1.327(12) yes . .
C90 F60 1.336(8) yes . .
C91 C92 1.512(15) yes . .
C92 O21 1.169(14) yes . .
C92 O22 1.360(14) yes . .
O22 C93 1.463(14) yes . .
C93 C94 1.494(16) yes . .
C95 C96 1.394 yes . .
C95 C100 1.40 yes . .
C95 C101 1.43 yes . .
C96 C97 1.39 yes . .
C97 C98 1.40 yes . .
C98 C99 1.39 yes . .
C99 C100 1.39 yes . .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
N1 Zn1 N3 88.8(3) yes . . .
N1 Zn1 N5 163.0(4) yes . . .
N1 Zn1 N7 88.6(3) yes . . .
N1 Zn1 O21 92.3(3) yes . . .
N3 Zn1 N5 89.3(3) yes . . .
N3 Zn1 N7 162.3(4) yes . . .
N3 Zn1 O21 94.8(3) yes . . .
N5 Zn1 N7 88.0(3) yes . . .
N5 Zn1 O21 104.6(3) yes . . .
N7 Zn1 O21 102.8(3) yes . . .
Zn1 N1 C1 124.1(6) yes . . .
Zn1 N1 C8 123.4(5) yes . . .
C1 N1 C8 110.1(7) yes . . .
C8 N2 C9 124.9(8) yes . . .
Zn1 N3 C9 124.1(5) yes . . .
Zn1 N3 C16 123.9(6) yes . . .
C9 N3 C16 108.6(6) yes . . .
C16 N4 C17 123.3(6) yes . . .
Zn1 N5 C17 124.3(6) yes . . .
Zn1 N5 C24 126.6(5) yes . . .
C17 N5 C24 108.3(7) yes . . .
C24 N6 C25 125.2(7) yes . . .
Zn1 N7 C25 123.8(5) yes . . .
Zn1 N7 C50 122.9(6) yes . . .
C25 N7 C50 111.0(6) yes . . .
C1 N8 C50 123.8(6) yes . . .
C29 N9 C46 114.2(7) yes . . .
C29 N9 B1 124.2(8) yes . . .
C46 N9 B1 120.8(7) yes . . .
C29 N10 C30 117.3(7) yes . . .
C30 N11 C37 112.3(8) yes . . .
C30 N11 B1 123.7(8) yes . . .
C37 N11 B1 122.8(7) yes . . .
C37 N12 C38 118.9(8) yes . . .
C38 N13 C45 111.3(7) yes . . .
C38 N13 B1 123.2(8) yes . . .
C45 N13 B1 122.9(8) yes . . .
C45 N14 C46 117.2(8) yes . . .
N1 C1 N8 127.3(8) yes . . .
N1 C1 C2 109.5(6) yes . . .
N8 C1 C2 123.2(6) yes . . .
C1 C2 C3 133.2(5) yes . . .
C1 C2 C7 106.8(4) yes . . .
C3 C2 C7 120.0 yes . . .
C2 C3 C4 120.0 yes . . .
C2 C3 O1 119.8(5) yes . . .
C4 C3 O1 120.2(4) yes . . .
C3 C4 C5 120.0 yes . . .
C3 C4 O2 119.9(5) yes . . .
C5 C4 O2 120.0(5) yes . . .
C4 C5 C6 120.0 yes . . .
C4 C5 O3 117.2(4) yes . . .
C6 C5 O3 122.2(5) yes . . .
C5 C6 C7 120.0 yes . . .
C5 C6 O4 113.0(5) yes . . .
C7 C6 O4 126.8(5) yes . . .
C2 C7 C6 120.0 yes . . .
C2 C7 C8 106.5(5) yes . . .
C6 C7 C8 132.7(5) yes . . .
N1 C8 N2 127.6(7) yes . . .
N1 C8 C7 106.4(6) yes . . .
N2 C8 C7 125.9(8) yes . . .
N2 C9 N3 127.2(7) yes . . .
N2 C9 C10 123.9(8) yes . . .
N3 C9 C10 108.9(6) yes . . .
C9 C10 C11 133.1(5) yes . . .
C9 C10 C15 106.8(5) yes . . .
C11 C10 C15 120.0 yes . . .
C10 C11 C12 120.0 yes . . .
C10 C11 O5 118.8(5) yes . . .
C10 C11 O5A 124.5(10) yes . . .
C12 C11 O5 121.1(6) yes . . .
C12 C11 O5A 114.3(10) yes . . .
C11 C12 C13 120.0 yes . . .
C11 C12 O6 119.3(5) yes . . .
C13 C12 O6 120.7(4) yes . . .
C12 C13 C14 120.0 yes . . .
C12 C13 O7 116.0(5) yes . . .
C14 C13 O7 123.8(5) yes . . .
C13 C14 C15 120.0 yes . . .
C13 C14 O8 118.1(4) yes . . .
C15 C14 O8 121.5(5) yes . . .
C10 C15 C14 120.0 yes . . .
C10 C15 C16 107.0(5) yes . . .
C14 C15 C16 132.9(5) yes . . .
N3 C16 N4 127.4(7) yes . . .
N3 C16 C15 108.7(7) yes . . .
N4 C16 C15 123.9(6) yes . . .
N4 C17 N5 128.7(8) yes . . .
N4 C17 C18 121.7(6) yes . . .
N5 C17 C18 109.5(7) yes . . .
C17 C18 C19 134.0(5) yes . . .
C17 C18 C23 105.6(4) yes . . .
C19 C18 C23 120.0 yes . . .
C18 C19 C20 120.0 yes . . .
C18 C19 O9 123.8(5) yes . . .
C20 C19 O9 116.1(4) yes . . .
C19 C20 C21 120.0 yes . . .
C19 C20 O10 122.2(7) yes . . .
C19 C20 O10A 121.2(9) yes . . .
C21 C20 O10 117.8(7) yes . . .
C21 C20 O10A 117.6(9) yes . . .
C20 C21 C22 120.0 yes . . .
C20 C21 O11 115.0(5) yes . . .
C20 C21 O11A 112.3(8) yes . . .
C22 C21 O11 123.5(6) yes . . .
C22 C21 O11A 122.9(8) yes . . .
C21 C22 C23 120.0 yes . . .
C21 C22 O12 117.7(5) yes . . .
C23 C22 O12 122.3(5) yes . . .
C18 C23 C22 120.0 yes . . .
C18 C23 C24 106.6(5) yes . . .
C22 C23 C24 133.3(5) yes . . .
N5 C24 N6 124.3(7) yes . . .
N5 C24 C23 109.8(6) yes . . .
N6 C24 C23 125.9(7) yes . . .
N6 C25 N7 129.0(7) yes . . .
N6 C25 C26 124.2(8) yes . . .
N7 C25 C26 106.8(6) yes . . .
C25 C26 C27 133.2(5) yes . . .
C25 C26 C49 106.7(5) yes . . .
C27 C26 C49 120.0 yes . . .
C26 C27 C28 120.0 yes . . .
C27 C28 C47 120.0 yes . . .
C27 C28 C29 131.9(6) yes . . .
C47 C28 C29 107.2(5) yes . . .
C28 C47 C48 120.0 yes . . .
C28 C47 C46 109.0(6) yes . . .
C48 C47 C46 130.5(5) yes . . .
C47 C48 C49 120.0 yes . . .
C26 C49 C48 120.0 yes . . .
C26 C49 C50 108.1(5) yes . . .
C48 C49 C50 131.7(5) yes . . .
N9 C29 N10 121.9(7) yes . . .
N9 C29 C28 105.4(8) yes . . .
N10 C29 C28 131.2(7) yes . . .
N10 C30 N11 121.4(9) yes . . .
N10 C30 C31 133.1(8) yes . . .
N11 C30 C31 104.8(7) yes . . .
C30 C31 C32 132.5(5) yes . . .
C30 C31 C36 107.5(5) yes . . .
C32 C31 C36 120.0 yes . . .
C31 C32 C33 120.0 yes . . .
C31 C32 O13 122.5(6) yes . . .
C33 C32 O13 117.4(5) yes . . .
C32 C33 C34 120.0 yes . . .
C32 C33 O14 121.4(5) yes . . .
C34 C33 O14 118.6(6) yes . . .
C33 C34 C35 120.0 yes . . .
C33 C34 O15 120.7(5) yes . . .
C35 C34 O15 119.3(5) yes . . .
C34 C35 C36 120.0 yes . . .
C34 C35 O16 113.6(8) yes . . .
C34 C35 O16A 126.6(8) yes . . .
C36 C35 O16 126.4(8) yes . . .
C36 C35 O16A 113.3(7) yes . . .
C31 C36 C35 120.0 yes . . .
C31 C36 C37 108.5(6) yes . . .
C35 C36 C37 131.1(5) yes . . .
N11 C37 N12 121.8(9) yes . . .
N11 C37 C36 104.3(6) yes . . .
N12 C37 C36 132.7(9) yes . . .
N12 C38 N13 120.2(7) yes . . .
N12 C38 C39 133.0(9) yes . . .
N13 C38 C39 105.4(8) yes . . .
C38 C39 C40 131.1(7) yes . . .
C38 C39 C44 107.7(6) yes . . .
C40 C39 C44 120.0 yes . . .
C39 C40 C41 120.0 yes . . .
C39 C40 O17 123.6(6) yes . . .
C41 C40 O17 116.3(6) yes . . .
C40 C41 C42 120.0 yes . . .
C40 C41 O18 119.3(6) yes . . .
C42 C41 O18 120.2(6) yes . . .
C41 C42 C43 120.0 yes . . .
C41 C42 O19 116.1(6) yes . . .
C43 C42 O19 123.9(6) yes . . .
C42 C43 C44 120.0 yes . . .
C42 C43 O20 115.3(6) yes . . .
C44 C43 O20 124.7(6) yes . . .
C39 C44 C43 120.0 yes . . .
C39 C44 C45 108.8(6) yes . . .
C43 C44 C45 129.4(6) yes . . .
N13 C45 N14 121.9(7) yes . . .
N13 C45 C44 105.5(7) yes . . .
N14 C45 C44 130.8(8) yes . . .
N9 C46 N14 123.2(7) yes . . .
N9 C46 C47 103.3(6) yes . . .
N14 C46 C47 130.9(8) yes . . .
N7 C50 N8 129.2(7) yes . . .
N7 C50 C49 107.3(7) yes . . .
N8 C50 C49 123.5(6) yes . . .
Cl1 B1 N9 112.4(8) yes . . .
Cl1 B1 N11 112.7(7) yes . . .
Cl1 B1 N13 113.4(7) yes . . .
N9 B1 N11 104.8(7) yes . . .
N9 B1 N13 106.5(8) yes . . .
N11 B1 N13 106.3(9) yes . . .
C3 O1 C51 119.1(6) yes . . .
O1 C51 C52 109.6(6) yes . . .
C51 C52 F1 111.5(6) yes . . .
C51 C52 F2 113.6(8) yes . . .
C51 C52 F3 111.7(7) yes . . .
F1 C52 F2 106.7(6) yes . . .
F1 C52 F3 105.6(8) yes . . .
F2 C52 F3 107.3(6) yes . . .
C4 O2 C53 118.4(6) yes . . .
O2 C53 C54 109.2(7) yes . . .
C53 C54 F4 112.0(7) yes . . .
C53 C54 F5 113.3(8) yes . . .
C53 C54 F6 112.2(8) yes . . .
F4 C54 F5 106.4(8) yes . . .
F4 C54 F6 105.7(7) yes . . .
F5 C54 F6 106.8(7) yes . . .
C5 O3 C55 116.7(7) yes . . .
O3 C55 C56 109.1(9) yes . . .
C55 C56 F7 110.5(9) yes . . .
C55 C56 F8 113.1(6) yes . . .
C55 C56 F9 113.0(7) yes . . .
F7 C56 F8 106.7(7) yes . . .
F7 C56 F9 106.3(7) yes . . .
F8 C56 F9 106.8(9) yes . . .
C6 O4 C57 121.0(7) yes . . .
O4 C57 C58 108.0(6) yes . . .
C57 C58 F10 110.8(8) yes . . .
C57 C58 F11 113.4(6) yes . . .
C57 C58 F12 111.3(7) yes . . .
F10 C58 F11 106.1(7) yes . . .
F10 C58 F12 106.8(6) yes . . .
F11 C58 F12 108.1(8) yes . . .
C11 O5 C59 117.2(9) yes . . .
O5 C59 C60 111.7(8) yes . . .
C59 C60 F13 112.4(8) yes . . .
C59 C60 F14 114.1(10) yes . . .
C59 C60 F15 112.2(8) yes . . .
F13 C60 F14 106.2(7) yes . . .
F13 C60 F15 104.9(9) yes . . .
F14 C60 F15 106.4(7) yes . . .
C11 O5A C59A 117.8(18) yes . . .
O5A C59A C60A 108.3(18) yes . . .
C59A C60A F13A 110.8(13) yes . . .
C59A C60A F14A 112.8(15) yes . . .
C59A C60A F15A 111.8(17) yes . . .
F13A C60A F14A 106.7(15) yes . . .
F13A C60A F15A 106.1(15) yes . . .
F14A C60A F15A 108.4(14) yes . . .
C12 O6 C61 115.9(6) yes . . .
O6 C61 C62 110.8(6) yes . . .
C61 C62 F16 111.7(6) yes . . .
C61 C62 F17 113.7(8) yes . . .
C61 C62 F18 112.7(7) yes . . .
F16 C62 F17 105.8(7) yes . . .
F16 C62 F18 106.1(8) yes . . .
F17 C62 F18 106.2(6) yes . . .
C13 O7 C63 118.4(5) yes . . .
O7 C63 C64 108.5(6) yes . . .
C63 C64 F19 111.6(6) yes . . .
C63 C64 F20 111.9(6) yes . . .
C63 C64 F21 112.5(6) yes . . .
F19 C64 F20 106.3(6) yes . . .
F19 C64 F21 105.5(6) yes . . .
F20 C64 F21 108.7(6) yes . . .
C14 O8 C65 116.7(5) yes . . .
O8 C65 C66 111.5(6) yes . . .
C65 C66 F22 112.1(7) yes . . .
C65 C66 F23 111.8(6) yes . . .
C65 C66 F24 113.6(6) yes . . .
F22 C66 F23 105.9(6) yes . . .
F22 C66 F24 105.8(6) yes . . .
F23 C66 F24 107.2(7) yes . . .
C19 O9 C67 118.7(6) yes . . .
O9 C67 C68 108.6(6) yes . . .
C67 C68 F25 112.0(6) yes . . .
C67 C68 F26 113.5(6) yes . . .
C67 C68 F27 111.0(6) yes . . .
F25 C68 F26 105.9(6) yes . . .
F25 C68 F27 106.6(6) yes . . .
F26 C68 F27 107.3(6) yes . . .
C20 O10 C69 120.0(13) yes . . .
O10 C69 C70 109.1(13) yes . . .
C69 C70 F28 109.7(10) yes . . .
C69 C70 F29 113.1(12) yes . . .
C69 C70 F30 112.8(12) yes . . .
F28 C70 F29 107.1(12) yes . . .
F28 C70 F30 106.2(13) yes . . .
F29 C70 F30 107.4(11) yes . . .
C20 O10A C69A 112.5(17) yes . . .
O10A C69A C70A 110.5(14) yes . . .
C69A C70A F28A 111.1(14) yes . . .
C69A C70A F29A 113.3(14) yes . . .
C69A C70A F30A 112.5(19) yes . . .
F28A C70A F29A 105.6(18) yes . . .
F28A C70A F30A 106.1(15) yes . . .
F29A C70A F30A 107.8(13) yes . . .
C21 O11 C71 120.8(8) yes . . .
O11 C71 C72 109.9(7) yes . . .
C71 C72 F31 110.9(10) yes . . .
C71 C72 F32 112.2(8) yes . . .
C71 C72 F33 114.4(10) yes . . .
F31 C72 F32 104.4(9) yes . . .
F31 C72 F33 105.6(8) yes . . .
F32 C72 F33 108.7(10) yes . . .
C21 O11A C71A 112.3(19) yes . . .
O11A C71A C72A 110.9(17) yes . . .
C71A C72A F31A 111.4(18) yes . . .
C71A C72A F32A 114(2) yes . . .
C71A C72A F33A 111.6(16) yes . . .
F31A C72A F32A 106.0(17) yes . . .
F31A C72A F33A 105.9(19) yes . . .
F32A C72A F33A 107.5(19) yes . . .
C22 O12 C73 114.2(6) yes . . .
O12 C73 C74 109.1(6) yes . . .
C73 C74 F34 110.4(6) yes . . .
C73 C74 F35 114.6(8) yes . . .
C73 C74 F36 113.1(7) yes . . .
F34 C74 F35 105.1(7) yes . . .
F34 C74 F36 104.7(8) yes . . .
F35 C74 F36 108.2(6) yes . . .
C32 O13 C75 119.4(6) yes . . .
O13 C75 C76 111.5(8) yes . . .
C75 C76 F37 110.8(8) yes . . .
C75 C76 F38 113.3(6) yes . . .
C75 C76 F39 113.3(7) yes . . .
F37 C76 F38 105.8(6) yes . . .
F37 C76 F39 106.2(7) yes . . .
F38 C76 F39 106.9(8) yes . . .
C33 O14 C77 118.3(7) yes . . .
O14 C77 C78 111.3(6) yes . . .
C77 C78 F40 111.1(7) yes . . .
C77 C78 F41 113.1(8) yes . . .
C77 C78 F42 113.2(9) yes . . .
F40 C78 F41 106.5(8) yes . . .
F40 C78 F42 105.3(7) yes . . .
F41 C78 F42 107.2(7) yes . . .
C34 O15 C79 114.2(8) yes . . .
O15 C79 C80 109.4(10) yes . . .
C79 C80 F43 110.3(9) yes . . .
C79 C80 F44 113.9(10) yes . . .
C79 C80 F45 113.9(9) yes . . .
F43 C80 F44 104.4(9) yes . . .
F43 C80 F45 105.0(11) yes . . .
F44 C80 F45 108.5(9) yes . . .
C35 O16 C81 110.2(10) yes . . .
O16 C81 C82 107.2(11) yes . . .
C81 C82 F46 111.0(10) yes . . .
C81 C82 F47 112.4(10) yes . . .
C81 C82 F48 112.8(12) yes . . .
F46 C82 F47 105.8(12) yes . . .
F46 C82 F48 106.0(10) yes . . .
F47 C82 F48 108.5(9) yes . . .
C35 O16A C81A 118.9(10) yes . . .
O16A C81A C82A 110.4(9) yes . . .
C81A C82A F46A 112.8(10) yes . . .
C81A C82A F47A 114.3(10) yes . . .
C81A C82A F48A 111.3(9) yes . . .
F46A C82A F47A 104.9(10) yes . . .
F46A C82A F48A 105.5(10) yes . . .
F47A C82A F48A 107.3(10) yes . . .
C40 O17 C83 117.3(7) yes . . .
O17 C83 C84 109.4(7) yes . . .
C83 C84 F49 110.9(7) yes . . .
C83 C84 F50 113.0(7) yes . . .
C83 C84 F51 112.9(8) yes . . .
F49 C84 F50 106.5(8) yes . . .
F49 C84 F51 105.3(8) yes . . .
F50 C84 F51 107.6(7) yes . . .
C41 O18 C85 114.9(7) yes . . .
O18 C85 C86 108.0(7) yes . . .
C85 C86 F52 111.9(7) yes . . .
C85 C86 F53 112.4(7) yes . . .
C85 C86 F54 112.5(6) yes . . .
F52 C86 F53 106.1(6) yes . . .
F52 C86 F54 104.8(7) yes . . .
F53 C86 F54 108.6(7) yes . . .
C42 O19 C87 118.9(6) yes . . .
O19 C87 C88 110.5(9) yes . . .
C87 C88 F55 111.1(9) yes . . .
C87 C88 F56 112.1(8) yes . . .
C87 C88 F57 114.3(8) yes . . .
F55 C88 F56 106.9(7) yes . . .
F55 C88 F57 105.9(8) yes . . .
F56 C88 F57 106.1(11) yes . . .
C43 O20 C89 118.5(6) yes . . .
O20 C89 C90 109.1(7) yes . . .
C89 C90 F58 112.2(7) yes . . .
C89 C90 F59 111.4(7) yes . . .
C89 C90 F60 111.9(6) yes . . .
F58 C90 F59 107.5(6) yes . . .
F58 C90 F60 105.5(7) yes . . .
F59 C90 F60 107.9(7) yes . . .
C91 C92 O21 124.7(10) yes . . .
C91 C92 O22 112.3(10) yes . . .
O21 C92 O22 123.0(9) yes . . .
Zn1 O21 C92 138.9(7) yes . . .
C92 O22 C93 115.1(9) yes . . .
O22 C93 C94 110.6(9) yes . . .
C96 C95 C100 120.0 yes . . .
C96 C95 C101 119.9 yes . . .
C100 C95 C101 120.0 yes . . .
C95 C96 C97 119.9 yes . . .
C96 C97 C98 120.0 yes . . .
C97 C98 C99 120.0 yes . . .
C98 C99 C100 119.9 yes . . .
C95 C100 C99 120.0 yes . . .

#===END========================================================================
_database_code_depnum_ccdc_archive 'CCDC 943766'
