#------------------------------------------------------------------------------
#$Date: 2015-07-10 23:28:56 +0300 (Fri, 10 Jul 2015) $
#$Revision: 143340 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/96/1519639.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1519639
loop_
_publ_author_name
'Yoshioka, Shota'
'Inokuma, Yasuhide'
'Hoshino, Manabu'
'Sato, Takashi'
'Fujita, Makoto'
_publ_section_title
;
 Absolute structure determination of compounds with axial and planar
 chirality using the crystalline sponge method
;
_journal_issue                   7
_journal_name_full               'Chem. Sci.'
_journal_page_first              3765
_journal_paper_doi               10.1039/C5SC01681A
_journal_volume                  6
_journal_year                    2015
_chemical_absolute_configuration ad
_chemical_formula_sum            'C86.95 H64.82 I12 N24 O1.87 Zn6'
_chemical_formula_weight         3390.77
_space_group_crystal_system      monoclinic
_space_group_IT_number           5
_space_group_name_Hall           'C 2y'
_space_group_name_H-M_alt        'C 1 2 1'
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-03-11 deposited with the CCDC.
2015-05-12 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.7920(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   34.627(4)
_cell_length_b                   15.0818(16)
_cell_length_c                   31.194(3)
_cell_measurement_reflns_used    9816
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      24.39
_cell_measurement_theta_min      2.24
_cell_volume                     15886(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      90(2)
_diffrn_detector_area_resol_mean 8.33
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0408
_diffrn_reflns_av_unetI/netI     0.0493
_diffrn_reflns_laue_measured_fraction_full 0.997
_diffrn_reflns_laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            75901
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        24.760
_diffrn_reflns_theta_max         24.760
_diffrn_reflns_theta_min         1.206
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    3.260
_exptl_absorpt_correction_T_max  0.7451
_exptl_absorpt_correction_T_min  0.6147
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.418
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             6342
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.040
_exptl_transmission_factor_max   0.7451
_exptl_transmission_factor_min   0.6147
_refine_diff_density_max         1.730
_refine_diff_density_min         -0.905
_refine_diff_density_rms         0.232
_refine_ls_abs_structure_details
; 
 Flack x determined using 7021 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
;
_refine_ls_abs_structure_Flack   0.082(11)
_refine_ls_extinction_coef       0.00013(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1441
_refine_ls_number_reflns         27131
_refine_ls_number_restraints     263
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.1088
_refine_ls_R_factor_gt           0.0745
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1606P)²+48.1577P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2240
_refine_ls_wR_factor_ref         0.2548
_reflns_Friedel_coverage         0.916
_reflns_friedel_fraction_full    0.994
_reflns_friedel_fraction_max     0.994
_reflns_number_gt                18487
_reflns_number_total             27131
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5sc01681a2.cif
_cod_data_source_block           c2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 1519634--1519639.cif.
;
_cod_database_code               1519639
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelx_estimated_absorpt_t_min   0.696
_shelx_estimated_absorpt_t_max   0.881
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
N1 N 0.8847(4) -0.0490(10) 1.1062(4) 0.053(4) Uani 1 1 d . . . . .
C1 C 0.8543(6) -0.0904(13) 1.0803(6) 0.063(5) Uani 1 1 d . . . . .
H1 H 0.8497 -0.1512 1.0853 0.076 Uiso 1 1 calc R U . . .
C2 C 0.8284(7) -0.0445(13) 1.0447(6) 0.064(5) Uani 1 1 d . . . . .
H2 H 0.8075 -0.0753 1.0257 0.077 Uiso 1 1 calc R U . . .
C3 C 0.8343(5) 0.0466(11) 1.0385(6) 0.048(4) Uani 1 1 d . . . . .
C4 C 0.8648(9) 0.0845(16) 1.0692(10) 0.130(14) Uani 1 1 d . . . . .
H4 H 0.8674 0.1472 1.0692 0.156 Uiso 1 1 calc R U . . .
C5 C 0.8909(8) 0.0378(16) 1.0990(8) 0.097(9) Uani 1 1 d . . . . .
H5 H 0.9140 0.0662 1.1153 0.116 Uiso 1 1 calc R U . . .
C6 C 0.8095(5) 0.0951(11) 1.0036(5) 0.047(4) Uani 1 1 d . . . . .
N2 N 0.7792(4) 0.0507(9) 0.9768(5) 0.046(3) Uani 1 1 d . . . . .
C7 C 0.7559(5) 0.0997(12) 0.9470(6) 0.047(4) Uani 1 1 d . . . . .
N3 N 0.7601(4) 0.1901(9) 0.9402(5) 0.048(4) Uani 1 1 d . . . . .
C8 C 0.7899(5) 0.2235(11) 0.9686(6) 0.046(4) Uani 1 1 d . . . . .
N4 N 0.8160(5) 0.1806(9) 1.0016(4) 0.048(4) Uani 1 1 d . . . . .
N5 N 0.8063(7) 0.5013(12) 0.9651(7) 0.079(6) Uani 1 1 d . . . . .
C9 C 0.8344(8) 0.4529(13) 0.9943(8) 0.082(7) Uani 1 1 d . . . . .
H9 H 0.8563 0.4808 1.0133 0.099 Uiso 1 1 calc R U . . .
C10 C 0.8291(8) 0.3630(15) 0.9945(7) 0.082(7) Uani 1 1 d . . . . .
H10 H 0.8481 0.3269 1.0134 0.099 Uiso 1 1 calc R U . . .
C11 C 0.7961(5) 0.3235(11) 0.9672(6) 0.048(4) Uani 1 1 d . . . . .
C12 C 0.7699(6) 0.3765(12) 0.9389(6) 0.054(4) Uani 1 1 d . . . . .
H12 H 0.7475 0.3510 0.9197 0.065 Uiso 1 1 calc R U . . .
C13 C 0.7760(7) 0.4667(14) 0.9384(7) 0.063(5) Uani 1 1 d . . . . .
H13 H 0.7581 0.5034 0.9185 0.076 Uiso 1 1 calc R U . . .
N6 N 0.6658(4) -0.0343(11) 0.8557(5) 0.057(4) Uani 1 1 d . . . . .
C14 C 0.6706(6) 0.0478(16) 0.8526(6) 0.068(6) Uani 1 1 d . . . . .
H14 H 0.6532 0.0775 0.8292 0.081 Uiso 1 1 calc R U . . .
C15 C 0.6997(6) 0.1008(14) 0.8810(6) 0.071(6) Uani 1 1 d . . . . .
H15 H 0.7014 0.1630 0.8769 0.085 Uiso 1 1 calc R U . . .
C16 C 0.7258(5) 0.0560(12) 0.9153(6) 0.052(5) Uani 1 1 d . . . . .
C17 C 0.7197(6) -0.0346(13) 0.9179(6) 0.058(5) Uani 1 1 d . . . . .
H17 H 0.7365 -0.0678 0.9404 0.070 Uiso 1 1 calc R U . . .
C18 C 0.6910(5) -0.0764(14) 0.8897(6) 0.058(5) Uani 1 1 d . . . . .
H18 H 0.6878 -0.1383 0.8934 0.070 Uiso 1 1 calc R U . . .
Zn1A Zn 0.8223(3) 0.6419(7) 0.9696(4) 0.073(3) Uani 0.6556 1 d . . P A 1
I1A I 0.8648(4) 0.6699(7) 1.0455(3) 0.145(5) Uani 0.6556 1 d . . P A 1
I2A I 0.7570(3) 0.7202(7) 0.9387(4) 0.142(4) Uani 0.6556 1 d . . P A 1
Zn1B Zn 0.8081(5) 0.6379(15) 0.9592(7) 0.056(3) Uani 0.3444 1 d . . P A 2
I1B I 0.8505(6) 0.6873(10) 1.0342(5) 0.102(4) Uani 0.3444 1 d . . P A 2
I2B I 0.7452(4) 0.7134(13) 0.9268(7) 0.088(3) Uani 0.3444 1 d . . P A 2
Zn2A Zn 0.6245(5) -0.0975(11) 0.8068(6) 0.069(4) Uani 0.6556 1 d . . P B 1
I3A I 0.6472(3) -0.0808(7) 0.7380(3) 0.150(3) Uani 0.6556 1 d . . P B 1
I4A I 0.6084(2) -0.2396(4) 0.8408(2) 0.135(3) Uani 0.6556 1 d . . P B 1
Zn2B Zn 0.6239(7) -0.103(2) 0.8134(11) 0.051(5) Uani 0.3444 1 d . . P B 2
I3B I 0.6465(2) -0.0867(6) 0.7384(2) 0.0538(17) Uani 0.3444 1 d . . P B 2
I4B I 0.6113(2) -0.2458(6) 0.8498(3) 0.0617(18) Uani 0.3444 1 d . . P B 2
N7 N 0.5748(5) -0.0210(13) 0.8059(6) 0.065(5) Uani 1 1 d . . . . .
C19 C 0.5569(7) -0.0200(19) 0.8391(8) 0.094(9) Uani 1 1 d . . . . .
H19 H 0.5659 -0.0585 0.8633 0.112 Uiso 1 1 calc R U . . .
C20 C 0.5249(7) 0.037(2) 0.8393(9) 0.103(10) Uani 1 1 d . . . . .
H20 H 0.5116 0.0349 0.8629 0.123 Uiso 1 1 calc R U . . .
C21 C 0.5128(5) 0.0951(12) 0.8051(6) 0.052(5) Uani 1 1 d . . . . .
C22 C 0.5308(5) 0.0876(14) 0.7694(5) 0.053(5) Uani 1 1 d . . . . .
H22 H 0.5209 0.1211 0.7435 0.063 Uiso 1 1 calc R U . . .
C23 C 0.5610(5) 0.0348(17) 0.7713(8) 0.070(6) Uani 1 1 d . . . . .
H23 H 0.5740 0.0352 0.7476 0.084 Uiso 1 1 calc R U . . .
C24 C 0.4796(5) 0.1582(13) 0.8080(7) 0.061(6) Uani 1 1 d . . . . .
N8 N 0.4590(4) 0.1464(10) 0.8377(5) 0.050(4) Uani 1 1 d . . . . .
C25 C 0.4322(5) 0.2060(12) 0.8358(5) 0.048(4) Uani 1 1 d . . . . .
N9 N 0.4235(4) 0.2752(10) 0.8093(4) 0.047(4) Uani 1 1 d . . . . .
C26 C 0.4481(5) 0.2836(13) 0.7822(5) 0.049(4) Uani 1 1 d . . . . .
N10 N 0.4761(4) 0.2266(9) 0.7786(4) 0.045(3) Uani 1 1 d . . . . .
N11 N 0.3537(6) 0.1573(10) 0.9227(5) 0.071(5) Uani 1 1 d . . . . .
C27 C 0.3416(6) 0.2078(13) 0.8866(7) 0.088(8) Uani 1 1 d D . . . .
H27 H 0.3156 0.2319 0.8806 0.106 Uiso 1 1 calc R U . . .
C28 C 0.3667(6) 0.2263(15) 0.8571(7) 0.080(6) Uani 1 1 d . . . . .
H28 H 0.3575 0.2615 0.8316 0.096 Uiso 1 1 calc R U . . .
C29 C 0.4044(6) 0.1923(12) 0.8660(6) 0.059(5) Uani 1 1 d . . . . .
C30 C 0.4172(7) 0.1376(17) 0.9037(7) 0.091(8) Uani 1 1 d . . . . .
H30 H 0.4432 0.1135 0.9104 0.110 Uiso 1 1 calc R U . . .
C31 C 0.3912(8) 0.1204(16) 0.9302(8) 0.088(7) Uani 1 1 d . . . . .
H31 H 0.3992 0.0818 0.9545 0.106 Uiso 1 1 calc R U . . .
N12 N 0.4376(5) 0.5061(11) 0.6965(5) 0.055(4) Uani 1 1 d . . . . .
C32 C 0.4690(6) 0.4523(15) 0.7012(6) 0.060(5) Uani 1 1 d . . . . .
H32 H 0.4886 0.4618 0.6846 0.072 Uiso 1 1 calc R U . . .
C33 C 0.4725(5) 0.3839(13) 0.7302(5) 0.052(5) Uani 1 1 d . . . . .
H33 H 0.4955 0.3479 0.7344 0.062 Uiso 1 1 calc R U . . .
C34 C 0.4443(5) 0.3641(12) 0.7537(5) 0.047(4) Uani 1 1 d . . . . .
C35 C 0.4139(7) 0.4223(18) 0.7504(9) 0.088(8) Uani 1 1 d . . . . .
H35 H 0.3949 0.4160 0.7680 0.106 Uiso 1 1 calc R U . . .
C36 C 0.4114(6) 0.4918(14) 0.7203(7) 0.068(6) Uani 1 1 d . . . . .
H36 H 0.3894 0.5309 0.7168 0.081 Uiso 1 1 calc R U . . .
Zn3A Zn 0.4309(2) 0.5982(4) 0.6474(3) 0.0448(14) Uani 0.6556 1 d . . P C 1
I5A I 0.39713(12) 0.7306(3) 0.67360(13) 0.0708(8) Uani 0.6556 1 d . . P C 1
I6A I 0.49219(18) 0.6125(4) 0.6170(2) 0.0847(13) Uani 0.6556 1 d . . P C 1
I5B I 0.3817(5) 0.7260(8) 0.6840(5) 0.188(7) Uani 0.3444 1 d . . P C 2
I6B I 0.4784(4) 0.6427(8) 0.6197(5) 0.134(5) Uani 0.3444 1 d . . P C 2
N13 N 0.3868(6) 0.5371(12) 0.6011(6) 0.081(6) Uani 1 1 d . . . . .
C37 C 0.3921(10) 0.4537(19) 0.5935(11) 0.146(16) Uani 1 1 d . . . . .
H117 H 0.4140 0.4249 0.6120 0.175 Uiso 1 1 calc R U . . .
C38 C 0.3690(10) 0.4038(14) 0.5610(8) 0.131(14) Uani 1 1 d . . . . .
H118 H 0.3748 0.3437 0.5559 0.157 Uiso 1 1 calc R U . . .
C39 C 0.3357(6) 0.4481(13) 0.5356(6) 0.062(6) Uani 1 1 d . . . . .
C40 C 0.3293(6) 0.5309(14) 0.5442(7) 0.065(6) Uani 1 1 d . . . . .
H119 H 0.3068 0.5608 0.5276 0.078 Uiso 1 1 calc R U . . .
C41 C 0.3548(7) 0.5741(15) 0.5768(6) 0.072(6) Uani 1 1 d . . . . .
H120 H 0.3493 0.6342 0.5824 0.086 Uiso 1 1 calc R U . . .
C42 C 0.3083(6) 0.3947(13) 0.4996(5) 0.058(5) Uani 1 1 d . . . . .
N14 N 0.3181(5) 0.3082(11) 0.4966(5) 0.059(4) Uani 1 1 d . . . . .
C43 C 0.2911(7) 0.2624(14) 0.4670(6) 0.065(6) Uani 1 1 d . . . . .
N15 N 0.2619(5) 0.3028(10) 0.4393(5) 0.063(5) Uani 1 1 d . . . . .
C44 C 0.2565(7) 0.3888(14) 0.4425(6) 0.062(5) Uani 1 1 d . . . . .
N16 N 0.2795(5) 0.4378(11) 0.4755(5) 0.065(5) Uani 1 1 d . . . . .
N17 N 0.3035(9) -0.0174(14) 0.4651(8) 0.112(10) Uani 1 1 d . . . . .
C45 C 0.2777(10) 0.0233(17) 0.4390(11) 0.104(10) Uani 1 1 d . . . . .
H45 H 0.2606 -0.0133 0.4183 0.125 Uiso 1 1 calc R U . . .
C46 C 0.2685(8) 0.1206(16) 0.4341(9) 0.094(8) Uani 1 1 d . . . . .
H46 H 0.2476 0.1457 0.4127 0.113 Uiso 1 1 calc R U . . .
C47 C 0.2952(8) 0.1689(15) 0.4657(8) 0.081(7) Uani 1 1 d . . . . .
C48 C 0.3230(10) 0.1256(16) 0.4951(9) 0.111(11) Uani 1 1 d . . . . .
H48 H 0.3406 0.1585 0.5172 0.133 Uiso 1 1 calc R U . . .
C49 C 0.3267(12) 0.036(2) 0.4940(8) 0.135(15) Uani 1 1 d . . . . .
H49 H 0.3472 0.0097 0.5154 0.161 Uiso 1 1 calc R U . . .
N18 N 0.1623(6) 0.5273(13) 0.3581(6) 0.086(6) Uani 1 1 d . . . . .
C50 C 0.1871(7) 0.5706(16) 0.3890(9) 0.103(10) Uani 1 1 d . . . . .
H50 H 0.1835 0.6324 0.3926 0.123 Uiso 1 1 calc R U . . .
C51 C 0.2197(7) 0.5258(15) 0.4178(7) 0.080(7) Uani 1 1 d . . . . .
H51 H 0.2378 0.5580 0.4395 0.096 Uiso 1 1 calc R U . . .
C52 C 0.2239(7) 0.4395(14) 0.4134(6) 0.069(6) Uani 1 1 d . . . . .
C53 C 0.1963(7) 0.3928(16) 0.3815(8) 0.096(9) Uani 1 1 d . . . . .
H53 H 0.1978 0.3301 0.3800 0.115 Uiso 1 1 calc R U . . .
C54 C 0.1679(8) 0.4367(15) 0.3534(8) 0.108(11) Uani 1 1 d D . . . .
H54 H 0.1514 0.4056 0.3299 0.129 Uiso 1 1 calc R U . . .
Zn4A Zn 0.1185(3) 0.5948(6) 0.3158(2) 0.0640(17) Uani 0.6556 1 d . . P D 1
I7A I 0.10680(18) 0.7395(3) 0.35224(14) 0.0926(12) Uani 0.6556 1 d . . P D 1
I8A I 0.13992(13) 0.5871(2) 0.24424(11) 0.0864(9) Uani 0.6556 1 d . . P D 1
Zn3B Zn 0.1267(7) 0.5952(18) 0.3045(8) 0.150(9) Uani 0.3444 1 d . U P D 2
I7B I 0.1161(4) 0.7283(9) 0.3366(6) 0.224(9) Uani 0.3444 1 d . . P D 2
I8B I 0.1487(6) 0.574(2) 0.2331(7) 0.335(16) Uani 0.3444 1 d . U P D 2
N19 N 0.0735(7) 0.5121(15) 0.3082(9) 0.110(9) Uani 1 1 d . . . . .
C55 C 0.0612(7) 0.4592(14) 0.2745(8) 0.074(6) Uani 1 1 d . . . . .
H55 H 0.0733 0.4607 0.2500 0.089 Uiso 1 1 calc R U . . .
C56 C 0.0286(7) 0.3982(13) 0.2752(9) 0.079(7) Uani 1 1 d . . . . .
H56 H 0.0194 0.3610 0.2505 0.094 Uiso 1 1 calc R U . . .
C57 C 0.0113(6) 0.3928(16) 0.3093(8) 0.075(6) Uani 1 1 d . . . . .
C58 C 0.0256(9) 0.449(2) 0.3469(11) 0.120(11) Uani 1 1 d . . . . .
H58 H 0.0154 0.4431 0.3726 0.145 Uiso 1 1 calc R U . . .
C59 C 0.0531(12) 0.507(3) 0.3448(13) 0.150(16) Uani 1 1 d . . . . .
H59 H 0.0603 0.5486 0.3681 0.181 Uiso 1 1 calc R U . . .
C60 C -0.0201(6) 0.3332(15) 0.3078(6) 0.061(5) Uani 1 1 d . . . . .
N20 N -0.0250(5) 0.2660(13) 0.2784(5) 0.066(5) Uani 1 1 d . . . . .
C61 C -0.0543(7) 0.2089(14) 0.2820(7) 0.065(5) Uani 1 1 d . . . . .
N21 N -0.0791(5) 0.2163(11) 0.3089(6) 0.068(5) Uani 1 1 d . . . . .
C62 C -0.0744(7) 0.2892(16) 0.3361(8) 0.077(7) Uani 1 1 d . . . . .
N22 N -0.0427(5) 0.3464(12) 0.3373(6) 0.075(6) Uani 1 1 d . . . . .
N23 N -0.0659(6) -0.0202(11) 0.2003(5) 0.062(5) Uani 1 1 d . . . . .
C63 C -0.0926(8) -0.0009(16) 0.2220(7) 0.081(7) Uani 1 1 d D . . . .
H63 H -0.1155 -0.0372 0.2188 0.097 Uiso 1 1 calc R U . . .
C64 C -0.0884(7) 0.0712(13) 0.2494(6) 0.079(7) Uani 1 1 d D . . . .
H64 H -0.1079 0.0812 0.2660 0.095 Uiso 1 1 calc R U . . .
C65 C -0.0575(5) 0.1294(12) 0.2540(5) 0.059(5) Uani 1 1 d D . . . .
C66 C -0.0288(6) 0.1106(15) 0.2313(8) 0.077(7) Uani 1 1 d D . . . .
H66 H -0.0061 0.1472 0.2337 0.092 Uiso 1 1 calc R U . . .
C67 C -0.0344(6) 0.0363(14) 0.2046(6) 0.063(6) Uani 1 1 d D . . . .
H67 H -0.0150 0.0236 0.1882 0.076 Uiso 1 1 calc R U . . .
N24 N -0.1559(9) 0.3320(14) 0.4172(8) 0.118(9) Uani 1 1 d D U . . .
C68 C -0.1188(12) 0.367(3) 0.4258(12) 0.18(2) Uani 1 1 d D U . . .
H161 H -0.1120 0.4049 0.4506 0.215 Uiso 1 1 calc R U . . .
C69 C -0.0895(9) 0.354(3) 0.4020(10) 0.142(15) Uani 1 1 d D . . . .
H162 H -0.0641 0.3800 0.4105 0.170 Uiso 1 1 calc R U . . .
C70 C -0.0994(8) 0.3003(14) 0.3657(7) 0.081(7) Uani 1 1 d D . . . .
C71 C -0.1336(8) 0.2559(18) 0.3592(9) 0.106(10) Uani 1 1 d D . . . .
H163 H -0.1403 0.2133 0.3364 0.127 Uiso 1 1 calc R U . . .
C72 C -0.1587(9) 0.273(2) 0.3861(11) 0.142(13) Uani 1 1 d D . . . .
H164 H -0.1817 0.2368 0.3816 0.170 Uiso 1 1 calc R U . . .
Zn5 Zn -0.07503(7) -0.11698(15) 0.15266(7) 0.0615(6) Uani 1 1 d . . . . .
I9 I -0.10763(6) -0.24346(11) 0.18078(6) 0.0990(6) Uani 1 1 d . . . . .
I10 I -0.01512(6) -0.13258(15) 0.11887(6) 0.1039(7) Uani 1 1 d . . . . .
Zn6A Zn -0.1952(3) 0.3494(6) 0.4576(3) 0.107(3) Uani 0.6556 1 d D . P E 1
I11A I -0.1589(3) 0.2972(4) 0.5313(2) 0.215(4) Uani 0.6556 1 d . . P E 1
I12A I -0.26029(15) 0.2840(3) 0.42149(18) 0.1285(16) Uani 0.6556 1 d . . P E 1
Zn6B Zn -0.1726(5) 0.3504(11) 0.4733(4) 0.095(5) Uani 0.3444 1 d D . P E 2
I11B I -0.1254(4) 0.3211(8) 0.5447(4) 0.157(5) Uani 0.3444 1 d . . P E 2
I12B I -0.2339(3) 0.2621(4) 0.4495(3) 0.115(2) Uani 0.3444 1 d . . P E 2
Zn7B Zn 0.4208(6) 0.6182(10) 0.6511(7) 0.074(6) Uani 0.3444 1 d . . P C 2
C73A C 0.2601(9) 0.4203(17) 0.1941(11) 0.087(11) Uani 0.4672 1 d DG U P F 1
C74A C 0.2858(7) 0.349(2) 0.2034(10) 0.101(12) Uani 0.4672 1 d DG U P F 1
C75A C 0.2726(10) 0.2638(19) 0.1905(11) 0.098(12) Uani 0.4672 1 d G U P F 1
H125 H 0.2902 0.2148 0.1968 0.117 Uiso 0.4672 1 calc R U P F 1
C76A C 0.2336(12) 0.2505(17) 0.1682(11) 0.106(13) Uani 0.4672 1 d G U P F 1
H126 H 0.2245 0.1925 0.1593 0.127 Uiso 0.4672 1 calc R U P F 1
C77A C 0.2078(8) 0.322(2) 0.1588(9) 0.098(12) Uani 0.4672 1 d DG U P F 1
C78A C 0.2211(8) 0.407(2) 0.1718(10) 0.074(10) Uani 0.4672 1 d DG U P F 1
C79A C 0.1710(13) 0.299(4) 0.1309(12) 0.105(18) Uani 0.4672 1 d D U P F 1
H127 H 0.1695 0.2343 0.1274 0.158 Uiso 0.4672 1 calc R U P F 1
H128 H 0.1493 0.3193 0.1440 0.158 Uiso 0.4672 1 calc R U P F 1
H129 H 0.1688 0.3269 0.1021 0.158 Uiso 0.4672 1 calc R U P F 1
C80A C 0.1955(14) 0.481(3) 0.1692(17) 0.096(16) Uani 0.4672 1 d D U P F 1
H130 H 0.2111 0.5340 0.1800 0.144 Uiso 0.4672 1 calc R U P F 1
H131 H 0.1817 0.4903 0.1385 0.144 Uiso 0.4672 1 calc R U P F 1
H132 H 0.1761 0.4701 0.1872 0.144 Uiso 0.4672 1 calc R U P F 1
O1A O 0.3239(9) 0.371(3) 0.2296(16) 0.148(17) Uani 0.4672 1 d D U P F 1
H133 H 0.3382 0.3257 0.2338 0.221 Uiso 0.4672 1 calc R U P F 1
C81A C 0.2734(9) 0.5111(17) 0.2150(10) 0.089(12) Uani 0.4672 1 d DG U P F 1
C82A C 0.2910(9) 0.569(2) 0.1902(9) 0.085(11) Uani 0.4672 1 d DG U P F 1
C83A C 0.3013(10) 0.654(2) 0.2052(10) 0.099(13) Uani 0.4672 1 d G U P F 1
H134 H 0.3133 0.6932 0.1883 0.119 Uiso 0.4672 1 calc R U P F 1
C84A C 0.2939(10) 0.6820(16) 0.2451(10) 0.107(15) Uani 0.4672 1 d DG U P F 1
H135 H 0.3009 0.7403 0.2554 0.129 Uiso 0.4672 1 calc R U P F 1
C85A C 0.2763(10) 0.6245(17) 0.2700(8) 0.102(14) Uani 0.4672 1 d DG U P F 1
C86A C 0.2660(8) 0.5391(16) 0.2549(9) 0.088(12) Uani 0.4672 1 d DG U P F 1
C87A C 0.2659(15) 0.655(3) 0.3085(15) 0.12(2) Uani 0.4672 1 d D U P F 1
H136 H 0.2539 0.6069 0.3220 0.180 Uiso 0.4672 1 calc R U P F 1
H137 H 0.2896 0.6764 0.3292 0.180 Uiso 0.4672 1 calc R U P F 1
H138 H 0.2468 0.7041 0.3011 0.180 Uiso 0.4672 1 calc R U P F 1
C88A C 0.2484(16) 0.480(3) 0.2807(16) 0.105(17) Uani 0.4672 1 d D U P F 1
H139 H 0.2431 0.4233 0.2656 0.157 Uiso 0.4672 1 calc R U P F 1
H140 H 0.2665 0.4715 0.3093 0.157 Uiso 0.4672 1 calc R U P F 1
H141 H 0.2235 0.5059 0.2850 0.157 Uiso 0.4672 1 calc R U P F 1
O2A O 0.2945(10) 0.541(3) 0.1486(11) 0.112(13) Uani 0.4672 1 d D U P F 1
H142 H 0.3051 0.5813 0.1367 0.167 Uiso 0.4672 1 calc R U P F 1
C89A C 0.2164(11) -0.0147(14) 0.2711(10) 0.086(12) Uani 0.4672 1 d DG U P G 1
C90A C 0.2003(10) -0.076(2) 0.2954(8) 0.086(12) Uani 0.4672 1 d DG U P G 1
C91A C 0.1963(9) -0.1642(18) 0.2821(9) 0.083(12) Uani 0.4672 1 d G U P G 1
H143 H 0.1853 -0.2062 0.2987 0.100 Uiso 0.4672 1 calc R U P G 1
C92A C 0.2084(9) -0.1909(14) 0.2445(10) 0.086(12) Uani 0.4672 1 d G U P G 1
H144 H 0.2057 -0.2512 0.2354 0.103 Uiso 0.4672 1 calc R U P G 1
C93A C 0.2245(9) -0.130(2) 0.2202(8) 0.082(11) Uani 0.4672 1 d DG U P G 1
C94A C 0.2285(9) -0.0414(18) 0.2335(9) 0.080(11) Uani 0.4672 1 d DG U P G 1
C95A C 0.2372(13) -0.158(4) 0.1793(14) 0.12(2) Uani 0.4672 1 d D U P G 1
H145 H 0.2478 -0.1069 0.1663 0.175 Uiso 0.4672 1 calc R U P G 1
H146 H 0.2578 -0.2037 0.1868 0.175 Uiso 0.4672 1 calc R U P G 1
H147 H 0.2144 -0.1822 0.1582 0.175 Uiso 0.4672 1 calc R U P G 1
C96A C 0.2446(15) 0.025(3) 0.2054(13) 0.088(15) Uani 0.4672 1 d D U P G 1
H148 H 0.2457 0.0834 0.2189 0.132 Uiso 0.4672 1 calc R U P G 1
H149 H 0.2713 0.0065 0.2032 0.132 Uiso 0.4672 1 calc R U P G 1
H150 H 0.2273 0.0263 0.1760 0.132 Uiso 0.4672 1 calc R U P G 1
O3A O 0.1923(11) -0.051(2) 0.3355(11) 0.101(12) Uani 0.4672 1 d D U P G 1
H151 H 0.1857 -0.0954 0.3483 0.152 Uiso 0.4672 1 calc R U P G 1
C97A C 0.2226(14) 0.084(2) 0.2848(12) 0.127(16) Uani 0.4672 1 d DG U P G 1
C98A C 0.2553(13) 0.104(3) 0.3182(13) 0.149(18) Uani 0.4672 1 d DG U P G 1
C99A C 0.2616(11) 0.191(3) 0.3331(12) 0.154(19) Uani 0.4672 1 d G U P G 1
H152 H 0.2839 0.2046 0.3559 0.185 Uiso 0.4672 1 calc R U P G 1
C100 C 0.2354(13) 0.257(2) 0.3147(13) 0.166(19) Uani 0.4672 1 d DG U P G 1
H153 H 0.2397 0.3165 0.3248 0.200 Uiso 0.4672 1 calc R U P G 1
C101 C 0.2027(11) 0.237(2) 0.2813(11) 0.147(16) Uani 0.4672 1 d DG U P G 1
C102 C 0.1964(10) 0.150(2) 0.2664(9) 0.128(15) Uani 0.4672 1 d DG U P G 1
C103 C 0.177(2) 0.311(3) 0.2583(12) 0.14(2) Uani 0.4672 1 d D U P G 1
H154 H 0.1551 0.2860 0.2358 0.214 Uiso 0.4672 1 calc R U P G 1
H155 H 0.1655 0.3439 0.2799 0.214 Uiso 0.4672 1 calc R U P G 1
H156 H 0.1925 0.3513 0.2444 0.214 Uiso 0.4672 1 calc R U P G 1
C104 C 0.1592(14) 0.136(5) 0.2309(15) 0.12(2) Uani 0.4672 1 d D U P G 1
H157 H 0.1571 0.0735 0.2224 0.176 Uiso 0.4672 1 calc R U P G 1
H158 H 0.1360 0.1534 0.2421 0.176 Uiso 0.4672 1 calc R U P G 1
H159 H 0.1605 0.1726 0.2052 0.176 Uiso 0.4672 1 calc R U P G 1
O4A O 0.2831(17) 0.038(4) 0.3337(11) 0.16(2) Uani 0.4672 1 d D U P G 1
H160 H 0.2793 -0.0055 0.3163 0.247 Uiso 0.4672 1 calc R U P G 1
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'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C1 N1 C5 119.0(16) . .
C1 N1 Zn5 121.1(13) . 1_656
C5 N1 Zn5 119.6(13) . 1_656
N1 C1 C2 121.1(18) . .
C3 C2 C1 119.4(18) . .
C4 C3 C2 114.8(17) . .
C4 C3 C6 123.6(17) . .
C2 C3 C6 121.6(16) . .
C5 C4 C3 124(2) . .
C4 C5 N1 121(2) . .
N4 C6 N2 124.7(16) . .
N4 C6 C3 117.4(15) . .
N2 C6 C3 117.8(15) . .
C7 N2 C6 115.2(15) . .
N2 C7 N3 126.2(16) . .
N2 C7 C16 118.0(16) . .
N3 C7 C16 115.5(14) . .
C8 N3 C7 111.6(14) . .
N3 C8 N4 128.2(15) . .
N3 C8 C11 117.2(15) . .
N4 C8 C11 114.5(16) . .
C6 N4 C8 114.1(15) . .
C13 N5 C9 124.1(19) . .
C13 N5 Zn1B 112.3(16) . .
C9 N5 Zn1B 123.6(19) . .
C13 N5 Zn1A 126.0(16) . .
C9 N5 Zn1A 109.8(17) . .
C10 C9 N5 117(2) . .
C9 C10 C11 121(2) . .
C12 C11 C10 118.6(18) . .
C12 C11 C8 121.1(17) . .
C10 C11 C8 120.3(17) . .
C11 C12 C13 120(2) . .
N5 C13 C12 120(2) . .
C14 N6 C18 116.3(16) . .
C14 N6 Zn2B 123.0(17) . .
C18 N6 Zn2B 120.7(17) . .
C14 N6 Zn2A 118.6(15) . .
C18 N6 Zn2A 124.9(14) . .
N6 C14 C15 126.3(17) . .
C16 C15 C14 116.5(18) . .
C17 C16 C15 115.9(18) . .
C17 C16 C7 120.7(15) . .
C15 C16 C7 123.4(18) . .
C18 C17 C16 122.0(17) . .
C17 C18 N6 123.0(19) . .
N11 Zn1A N5 103.5(8) 3 .
N11 Zn1A I1A 111.4(7) 3 .
N5 Zn1A I1A 107.9(8) . .
N11 Zn1A I2A 104.3(7) 3 .
N5 Zn1A I2A 103.6(8) . .
I1A Zn1A I2A 124.1(6) . .
N5 Zn1B N11 102.8(12) . 3
N5 Zn1B I2B 117.0(10) . .
N11 Zn1B I2B 113.7(12) 3 .
N5 Zn1B I1B 103.2(11) . .
N11 Zn1B I1B 96.0(8) 3 .
I2B Zn1B I1B 120.7(11) . .
N7 Zn2A N6 101.0(9) . .
N7 Zn2A I3A 110.9(10) . .
N6 Zn2A I3A 107.0(8) . .
N7 Zn2A I4A 102.7(8) . .
N6 Zn2A I4A 105.3(9) . .
I3A Zn2A I4A 126.9(7) . .
N6 Zn2B N7 102.7(15) . .
N6 Zn2B I4B 108.4(15) . .
N7 Zn2B I4B 110.0(11) . .
N6 Zn2B I3B 102.6(11) . .
N7 Zn2B I3B 104.0(14) . .
I4B Zn2B I3B 126.5(13) . .
C19 N7 C23 118.0(18) . .
C19 N7 Zn2A 122.0(15) . .
C23 N7 Zn2A 119.9(16) . .
C19 N7 Zn2B 115.7(16) . .
C23 N7 Zn2B 126.2(18) . .
N7 C19 C20 121(2) . .
C21 C20 C19 120(2) . .
C20 C21 C22 117.0(18) . .
C20 C21 C24 118(2) . .
C22 C21 C24 125.4(17) . .
C23 C22 C21 120.5(19) . .
C22 C23 N7 123(2) . .
N8 C24 N10 127.0(18) . .
N8 C24 C21 120.0(18) . .
N10 C24 C21 112.9(19) . .
C25 N8 C24 112.1(15) . .
N8 C25 N9 130.0(16) . .
N8 C25 C29 115.6(15) . .
N9 C25 C29 114.2(16) . .
C25 N9 C26 112.5(15) . .
N10 C26 N9 125.2(16) . .
N10 C26 C34 116.5(16) . .
N9 C26 C34 118.2(16) . .
C26 N10 C24 112.9(16) . .
C27 N11 C31 118.3(17) . .
C27 N11 Zn1A 123.6(15) . 3_445
C31 N11 Zn1A 117.8(15) . 3_445
C27 N11 Zn1B 113.0(15) . 3_445
C31 N11 Zn1B 128.6(15) . 3_445
N11 C27 C28 122.0(19) . .
C29 C28 C27 119(2) . .
C28 C29 C30 120(2) . .
C28 C29 C25 122.2(17) . .
C30 C29 C25 118.1(19) . .
C31 C30 C29 119(2) . .
C30 C31 N11 123(2) . .
C36 N12 C32 119.2(17) . .
C36 N12 Zn3A 124.0(13) . .
C32 N12 Zn3A 116.5(14) . .
C36 N12 Zn7B 111.9(13) . .
C32 N12 Zn7B 128.8(15) . .
N12 C32 C33 118.8(19) . .
C32 C33 C34 123.4(18) . .
C35 C34 C33 116.6(18) . .
C35 C34 C26 122.4(18) . .
C33 C34 C26 121.0(16) . .
C34 C35 C36 118(2) . .
N12 C36 C35 123.7(19) . .
N12 Zn3A N13 99.4(7) . .
N12 Zn3A I6A 112.1(6) . .
N13 Zn3A I6A 109.2(7) . .
N12 Zn3A I5A 106.1(6) . .
N13 Zn3A I5A 104.7(7) . .
I6A Zn3A I5A 122.7(3) . .
C37 N13 C41 115.9(19) . .
C37 N13 Zn3A 116.5(18) . .
C41 N13 Zn3A 127.5(15) . .
C37 N13 Zn7B 128.0(18) . .
C41 N13 Zn7B 115.9(15) . .
N13 C37 C38 126(2) . .
C37 C38 C39 115(2) . .
C40 C39 C38 119.5(18) . .
C40 C39 C42 123.3(19) . .
C38 C39 C42 117.3(19) . .
C39 C40 C41 120(2) . .
N13 C41 C40 124(2) . .
N16 C42 N14 128.3(16) . .
N16 C42 C39 116.0(18) . .
N14 C42 C39 115.7(17) . .
C43 N14 C42 113.2(17) . .
N15 C43 N14 121.7(19) . .
N15 C43 C47 120(2) . .
N14 C43 C47 118(2) . .
C44 N15 C43 120.2(17) . .
N15 C44 N16 121.3(18) . .
N15 C44 C52 123.9(18) . .
N16 C44 C52 114.6(18) . .
C42 N16 C44 114.5(17) . .
C45 N17 C49 113(2) . .
C45 N17 Zn6A 117(2) . 3_545
C49 N17 Zn6A 131(3) . 3_545
C45 N17 Zn6B 138(2) . 3_545
C49 N17 Zn6B 109(2) . 3_545
N17 C45 C46 131(3) . .
C47 C46 C45 110(3) . .
C48 C47 C46 119(2) . .
C48 C47 C43 122(2) . .
C46 C47 C43 119(2) . .
C47 C48 C49 122(3) . .
N17 C49 C48 125(3) . .
C50 N18 C54 119(2) . .
C50 N18 Zn4A 119.8(16) . .
C54 N18 Zn4A 121.5(14) . .
C50 N18 Zn3B 120.8(17) . .
C54 N18 Zn3B 117.7(16) . .
N18 C50 C51 121(2) . .
C52 C51 C50 119.0(19) . .
C51 C52 C53 119.6(19) . .
C51 C52 C44 121.8(18) . .
C53 C52 C44 118.6(19) . .
C54 C53 C52 120(2) . .
C53 C54 N18 121(2) . .
N19 Zn4A N18 102.5(9) . .
N19 Zn4A I8A 104.2(9) . .
N18 Zn4A I8A 103.2(8) . .
N19 Zn4A I7A 113.5(10) . .
N18 Zn4A I7A 108.0(6) . .
I8A Zn4A I7A 123.2(4) . .
N18 Zn3B N19 91.7(12) . .
N18 Zn3B I7B 101.5(12) . .
N19 Zn3B I7B 104.6(14) . .
N18 Zn3B I8B 113.6(14) . .
N19 Zn3B I8B 112.6(14) . .
I7B Zn3B I8B 126.7(13) . .
C55 N19 C59 118(2) . .
C55 N19 Zn4A 126(2) . .
C59 N19 Zn4A 116.2(18) . .
C55 N19 Zn3B 115(2) . .
C59 N19 Zn3B 127.3(19) . .
N19 C55 C56 119(3) . .
C57 C56 C55 122(2) . .
C56 C57 C60 120(2) . .
C56 C57 C58 119(2) . .
C60 C57 C58 122(2) . .
C59 C58 C57 118(3) . .
C58 C59 N19 123(3) . .
N22 C60 N20 125(2) . .
N22 C60 C57 116.5(19) . .
N20 C60 C57 119(2) . .
C60 N20 C61 113.9(19) . .
N21 C61 N20 126.8(19) . .
N21 C61 C65 117.8(19) . .
N20 C61 C65 115.4(19) . .
C61 N21 C62 116.9(19) . .
N21 C62 N22 120(2) . .
N21 C62 C70 120(2) . .
N22 C62 C70 120(2) . .
C60 N22 C62 117.8(19) . .
C63 N23 C67 117.1(18) . .
C63 N23 Zn5 121.6(15) . .
C67 N23 Zn5 120.4(15) . .
N23 C63 C64 121(2) . .
C65 C64 C63 123(2) . .
C64 C65 C66 116.9(18) . .
C64 C65 C61 122.7(18) . .
C66 C65 C61 120.4(17) . .
C65 C66 C67 117.2(19) . .
N23 C67 C66 125(2) . .
C72 N24 C68 109(3) . .
C72 N24 Zn6B 140(2) . .
C68 N24 Zn6B 103(2) . .
C72 N24 Zn6A 126(2) . .
C68 N24 Zn6A 123.4(19) . .
N24 C68 C69 127(2) . .
C70 C69 C68 117(2) . .
C71 C70 C69 118(2) . .
C71 C70 C62 119.7(19) . .
C69 C70 C62 122(2) . .
C70 C71 C72 119(2) . .
N24 C72 C71 129(3) . .
N1 Zn5 N23 97.3(6) 1_454 .
N1 Zn5 I9 110.2(5) 1_454 .
N23 Zn5 I9 107.5(5) . .
N1 Zn5 I10 104.1(5) 1_454 .
N23 Zn5 I10 110.9(6) . .
I9 Zn5 I10 123.71(11) . .
N17 Zn6A N24 103.3(9) 3_455 .
N17 Zn6A I12A 113.9(11) 3_455 .
N24 Zn6A I12A 109.0(9) . .
N17 Zn6A I11A 103.1(10) 3_455 .
N24 Zn6A I11A 105.0(9) . .
I12A Zn6A I11A 120.9(4) . .
N24 Zn6B N17 101.8(11) . 3_455
N24 Zn6B I12B 93.3(9) . .
N17 Zn6B I12B 100.4(11) 3_455 .
N24 Zn6B I11B 120.2(13) . .
N17 Zn6B I11B 115.4(10) 3_455 .
I12B Zn6B I11B 121.4(7) . .
N13 Zn7B N12 93.1(9) . .
N13 Zn7B I6B 99.4(10) . .
N12 Zn7B I6B 104.6(8) . .
N13 Zn7B I5B 114.7(11) . .
N12 Zn7B I5B 109.1(10) . .
I6B Zn7B I5B 129.6(9) . .
C74A C73A C78A 120.0 . .
C74A C73A C81A 119(3) . .
C78A C73A C81A 120(2) . .
C75A C74A C73A 120.0 . .
C75A C74A O1A 126(3) . .
C73A C74A O1A 114(3) . .
C76A C75A C74A 120.0 . .
C75A C76A C77A 120.0 . .
C78A C77A C76A 120.0 . .
C78A C77A C79A 127(3) . .
C76A C77A C79A 113(4) . .
C77A C78A C73A 120.0 . .
C77A C78A C80A 123(3) . .
C73A C78A C80A 116(3) . .
C82A C81A C86A 120.0 . .
C82A C81A C73A 116(2) . .
C86A C81A C73A 123(2) . .
C81A C82A C83A 120.0 . .
C81A C82A O2A 118(3) . .
C83A C82A O2A 122(3) . .
C82A C83A C84A 120.0 . .
C85A C84A C83A 120.0 . .
C84A C85A C86A 120.0 . .
C84A C85A C87A 119.8(11) . .
C86A C85A C87A 120.0(11) . .
C85A C86A C81A 120.0 . .
C85A C86A C88A 119.7(11) . .
C81A C86A C88A 120.3(11) . .
C90A C89A C94A 120.0 . .
C90A C89A C97A 122(3) . .
C94A C89A C97A 118(3) . .
C89A C90A C91A 120.0 . .
C89A C90A O3A 119(3) . .
C91A C90A O3A 120(3) . .
C90A C91A C92A 120.0 . .
C93A C92A C91A 120.0 . .
C92A C93A C94A 120.0 . .
C92A C93A C95A 120(3) . .
C94A C93A C95A 120(3) . .
C93A C94A C89A 120.0 . .
C93A C94A C96A 119(3) . .
C89A C94A C96A 121(3) . .
C98A C97A C102 120.0 . .
C98A C97A C89A 117(3) . .
C102 C97A C89A 123(3) . .
C97A C98A C99A 120.0 . .
C97A C98A O4A 119(4) . .
C99A C98A O4A 121(4) . .
C98A C99A C100 120.0 . .
C101 C100 C99A 120.0 . .
C100 C101 C102 120.0 . .
C100 C101 C103 119.5(12) . .
C102 C101 C103 120.2(11) . .
C101 C102 C97A 120.0 . .
C101 C102 C104 115(4) . .
C97A C102 C104 125(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
N1 C1 1.33(2) .
N1 C5 1.35(3) .
N1 Zn5 2.049(14) 1_656
C1 C2 1.44(2) .
C2 C3 1.41(3) .
C3 C4 1.38(3) .
C3 C6 1.43(2) .
C4 C5 1.34(3) .
C6 N4 1.31(2) .
C6 N2 1.36(2) .
N2 C7 1.32(2) .
C7 N3 1.39(2) .
C7 C16 1.43(2) .
N3 C8 1.30(2) .
C8 N4 1.37(2) .
C8 C11 1.53(2) .
N5 C13 1.30(3) .
N5 C9 1.38(3) .
N5 Zn1B 2.07(3) .
N5 Zn1A 2.19(2) .
C9 C10 1.37(3) .
C10 C11 1.40(3) .
C11 C12 1.38(3) .
C12 C13 1.38(3) .
N6 C14 1.26(3) .
N6 C18 1.37(2) .
N6 Zn2B 2.02(3) .
N6 Zn2A 2.08(2) .
C14 C15 1.43(3) .
C15 C16 1.41(2) .
C16 C17 1.39(3) .
C17 C18 1.33(3) .
Zn1A N11 2.02(2) 3
Zn1A I1A 2.531(14) .
Zn1A I2A 2.543(14) .
Zn1B N11 2.16(3) 3
Zn1B I2B 2.47(2) .
Zn1B I1B 2.58(2) .
Zn2A N7 2.07(2) .
Zn2A I3A 2.46(2) .
Zn2A I4A 2.507(19) .
Zn2B N7 2.07(3) .
Zn2B I4B 2.52(3) .
Zn2B I3B 2.64(3) .
N7 C19 1.32(3) .
N7 C23 1.37(3) .
C19 C20 1.40(3) .
C20 C21 1.37(3) .
C21 C22 1.40(3) .
C21 C24 1.51(3) .
C22 C23 1.31(3) .
C24 N8 1.30(3) .
C24 N10 1.37(3) .
N8 C25 1.28(2) .
C25 N9 1.32(2) .
C25 C29 1.50(3) .
N9 C26 1.33(2) .
C26 N10 1.32(2) .
C26 C34 1.49(2) .
N11 C27 1.35(3) .
N11 C31 1.38(3) .
N11 Zn1A 2.02(2) 3_445
N11 Zn1B 2.16(3) 3_445
C27 C28 1.43(3) .
C28 C29 1.37(3) .
C29 C30 1.42(3) .
C30 C31 1.38(3) .
N12 C36 1.31(3) .
N12 C32 1.34(3) .
N12 Zn3A 2.043(17) .
N12 Zn7B 2.20(2) .
C32 C33 1.36(3) .
C33 C34 1.38(2) .
C34 C35 1.36(3) .
C35 C36 1.40(3) .
Zn3A N13 2.069(19) .
Zn3A I6A 2.519(9) .
Zn3A I5A 2.540(7) .
I5B Zn7B 2.48(2) .
I6B Zn7B 2.44(3) .
N13 C37 1.30(3) .
N13 C41 1.32(3) .
N13 Zn7B 2.12(3) .
C37 C38 1.37(3) .
C38 C39 1.41(3) .
C39 C40 1.31(3) .
C39 C42 1.53(2) .
C40 C41 1.36(3) .
C42 N16 1.28(3) .
C42 N14 1.35(3) .
N14 C43 1.35(2) .
C43 N15 1.32(3) .
C43 C47 1.42(3) .
N15 C44 1.32(3) .
C44 N16 1.37(2) .
C44 C52 1.49(3) .
N17 C45 1.23(4) .
N17 C49 1.34(4) .
N17 Zn6A 2.02(2) 3_545
N17 Zn6B 2.15(3) 3_545
C45 C46 1.50(4) .
C46 C47 1.40(3) .
C47 C48 1.34(4) .
C48 C49 1.35(4) .
N18 C50 1.32(2) .
N18 C54 1.39(3) .
N18 Zn4A 2.05(2) .
N18 Zn3B 2.11(3) .
C50 C51 1.44(3) .
C51 C52 1.32(3) .
C52 C53 1.40(3) .
C53 C54 1.34(3) .
Zn4A N19 1.97(2) .
Zn4A I8A 2.505(7) .
Zn4A I7A 2.535(9) .
Zn3B N19 2.25(3) .
Zn3B I7B 2.31(3) .
Zn3B I8B 2.53(3) .
N19 C55 1.31(3) .
N19 C59 1.47(4) .
C55 C56 1.46(3) .
C56 C57 1.33(3) .
C57 C60 1.40(3) .
C57 C58 1.44(3) .
C58 C59 1.31(4) .
C60 N22 1.35(3) .
C60 N20 1.35(3) .
N20 C61 1.35(3) .
C61 N21 1.33(3) .
C61 C65 1.47(3) .
N21 C62 1.38(3) .
C62 N22 1.39(3) .
C62 C70 1.41(3) .
N23 C63 1.29(3) .
N23 C67 1.37(3) .
N23 Zn5 2.056(17) .
C63 C64 1.37(2) .
C64 C65 1.37(2) .
C65 C66 1.37(2) .
C66 C67 1.38(2) .
N24 C72 1.30(4) .
N24 C68 1.36(4) .
N24 Zn6B 1.98(3) .
N24 Zn6A 2.07(2) .
C68 C69 1.40(3) .
C69 C70 1.37(2) .
C70 C71 1.34(2) .
C71 C72 1.36(2) .
Zn5 N1 2.049(14) 1_454
Zn5 I9 2.474(3) .
Zn5 I10 2.537(3) .
Zn6A N17 2.02(2) 3_455
Zn6A I12A 2.491(11) .
Zn6A I11A 2.491(12) .
Zn6B N17 2.15(3) 3_455
Zn6B I12B 2.477(19) .
Zn6B I11B 2.494(18) .
C73A C74A 1.3900 .
C73A C78A 1.3900 .
C73A C81A 1.54(3) .
C74A C75A 1.3900 .
C74A O1A 1.43(3) .
C75A C76A 1.3900 .
C76A C77A 1.3900 .
C77A C78A 1.3900 .
C77A C79A 1.42(4) .
C78A C80A 1.42(4) .
C81A C82A 1.3900 .
C81A C86A 1.3900 .
C82A C83A 1.3900 .
C82A O2A 1.39(3) .
C83A C84A 1.3900 .
C84A C85A 1.3900 .
C85A C86A 1.3900 .
C85A C87A 1.41(4) .
C86A C88A 1.42(4) .
C89A C90A 1.3900 .
C89A C94A 1.3900 .
C89A C97A 1.55(3) .
C90A C91A 1.3900 .
C90A O3A 1.39(3) .
C91A C92A 1.3900 .
C92A C93A 1.3900 .
C93A C94A 1.3900 .
C93A C95A 1.50(4) .
C94A C96A 1.51(4) .
C97A C98A 1.3900 .
C97A C102 1.3900 .
C98A C99A 1.3900 .
C98A O4A 1.40(3) .
C99A C100 1.3900 .
C100 C101 1.3900 .
C101 C102 1.3900 .
C101 C103 1.51(4) .
C102 C104 1.52(4) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
C5 N1 C1 C2 1(3) .
Zn5 N1 C1 C2 -173.7(15) 1_656
N1 C1 C2 C3 -3(3) .
C1 C2 C3 C4 -2(3) .
C1 C2 C3 C6 179.8(18) .
C2 C3 C4 C5 9(5) .
C6 C3 C4 C5 -172(3) .
C3 C4 C5 N1 -12(5) .
C1 N1 C5 C4 7(4) .
Zn5 N1 C5 C4 -179(3) 1_656
C4 C3 C6 N4 -1(3) .
C2 C3 C6 N4 176.9(19) .
C4 C3 C6 N2 -177(2) .
C2 C3 C6 N2 1(3) .
N4 C6 N2 C7 1(3) .
C3 C6 N2 C7 176.1(16) .
C6 N2 C7 N3 2(3) .
C6 N2 C7 C16 174.5(16) .
N2 C7 N3 C8 -2(2) .
C16 C7 N3 C8 -175.5(15) .
C7 N3 C8 N4 1(3) .
C7 N3 C8 C11 -175.6(15) .
N2 C6 N4 C8 -2(3) .
C3 C6 N4 C8 -177.0(16) .
N3 C8 N4 C6 0(3) .
C11 C8 N4 C6 177.4(16) .
C13 N5 C9 C10 0(4) .
Zn1B N5 C9 C10 180(2) .
Zn1A N5 C9 C10 -178(2) .
N5 C9 C10 C11 -2(4) .
C9 C10 C11 C12 3(4) .
C9 C10 C11 C8 -178(2) .
N3 C8 C11 C12 4(3) .
N4 C8 C11 C12 -173.4(16) .
N3 C8 C11 C10 -175.3(18) .
N4 C8 C11 C10 7(3) .
C10 C11 C12 C13 -1(3) .
C8 C11 C12 C13 179.7(18) .
C9 N5 C13 C12 2(3) .
Zn1B N5 C13 C12 -178.4(17) .
Zn1A N5 C13 C12 179.3(15) .
C11 C12 C13 N5 -1(3) .
C18 N6 C14 C15 0(3) .
Zn2B N6 C14 C15 -179.5(19) .
Zn2A N6 C14 C15 -174.6(18) .
N6 C14 C15 C16 1(4) .
C14 C15 C16 C17 -1(3) .
C14 C15 C16 C7 -178.6(19) .
N2 C7 C16 C17 4(3) .
N3 C7 C16 C17 178.0(18) .
N2 C7 C16 C15 -178.2(19) .
N3 C7 C16 C15 -4(3) .
C15 C16 C17 C18 0(3) .
C7 C16 C17 C18 177.6(19) .
C16 C17 C18 N6 1(3) .
C14 N6 C18 C17 -1(3) .
Zn2B N6 C18 C17 178.4(18) .
Zn2A N6 C18 C17 173.1(17) .
C23 N7 C19 C20 0(4) .
Zn2A N7 C19 C20 176(2) .
Zn2B N7 C19 C20 176(3) .
N7 C19 C20 C21 -3(5) .
C19 C20 C21 C22 7(4) .
C19 C20 C21 C24 -177(2) .
C20 C21 C22 C23 -8(3) .
C24 C21 C22 C23 175.6(19) .
C21 C22 C23 N7 6(3) .
C19 N7 C23 C22 -1(3) .
Zn2A N7 C23 C22 -177.2(17) .
Zn2B N7 C23 C22 -177.2(19) .
C20 C21 C24 N8 -12(3) .
C22 C21 C24 N8 164.3(17) .
C20 C21 C24 N10 165(2) .
C22 C21 C24 N10 -19(2) .
N10 C24 N8 C25 3(3) .
C21 C24 N8 C25 179.6(15) .
C24 N8 C25 N9 -1(3) .
C24 N8 C25 C29 174.1(15) .
N8 C25 N9 C26 -3(3) .
C29 C25 N9 C26 -178.1(15) .
C25 N9 C26 N10 6(2) .
C25 N9 C26 C34 -173.9(14) .
N9 C26 N10 C24 -4(2) .
C34 C26 N10 C24 175.5(14) .
N8 C24 N10 C26 -1(2) .
C21 C24 N10 C26 -177.6(13) .
C31 N11 C27 C28 -2.0(14) .
Zn1A N11 C27 C28 171.8(13) 3_445
Zn1B N11 C27 C28 -177.9(13) 3_445
N11 C27 C28 C29 -0.7(14) .
C27 C28 C29 C30 2(2) .
C27 C28 C29 C25 177.8(16) .
N8 C25 C29 C28 -154.0(18) .
N9 C25 C29 C28 22(2) .
N8 C25 C29 C30 22(3) .
N9 C25 C29 C30 -161.9(17) .
C28 C29 C30 C31 0(3) .
C25 C29 C30 C31 -176(2) .
C29 C30 C31 N11 -3(3) .
C27 N11 C31 C30 4(3) .
Zn1A N11 C31 C30 -170.3(19) 3_445
Zn1B N11 C31 C30 179.0(19) 3_445
C36 N12 C32 C33 1(3) .
Zn3A N12 C32 C33 -173.0(13) .
Zn7B N12 C32 C33 -176.7(14) .
N12 C32 C33 C34 3(3) .
C32 C33 C34 C35 -7(3) .
C32 C33 C34 C26 174.8(16) .
N10 C26 C34 C35 172(2) .
N9 C26 C34 C35 -9(3) .
N10 C26 C34 C33 -10(2) .
N9 C26 C34 C33 169.7(15) .
C33 C34 C35 C36 6(3) .
C26 C34 C35 C36 -175(2) .
C32 N12 C36 C35 -1(3) .
Zn3A N12 C36 C35 172(2) .
Zn7B N12 C36 C35 177(2) .
C34 C35 C36 N12 -3(4) .
C41 N13 C37 C38 4(6) .
Zn3A N13 C37 C38 -172(4) .
Zn7B N13 C37 C38 179(3) .
N13 C37 C38 C39 -3(6) .
C37 C38 C39 C40 0(5) .
C37 C38 C39 C42 -179(3) .
C38 C39 C40 C41 1(4) .
C42 C39 C40 C41 180(2) .
C37 N13 C41 C40 -3(4) .
Zn3A N13 C41 C40 173.4(18) .
Zn7B N13 C41 C40 -178(2) .
C39 C40 C41 N13 0(4) .
C40 C39 C42 N16 5(3) .
C38 C39 C42 N16 -176(3) .
C40 C39 C42 N14 -176(2) .
C38 C39 C42 N14 2(3) .
N16 C42 N14 C43 -7(3) .
C39 C42 N14 C43 174.5(17) .
C42 N14 C43 N15 10(3) .
C42 N14 C43 C47 -171(2) .
N14 C43 N15 C44 -6(3) .
C47 C43 N15 C44 175(2) .
C43 N15 C44 N16 -3(3) .
C43 N15 C44 C52 -179(2) .
N14 C42 N16 C44 -1(3) .
C39 C42 N16 C44 177.7(18) .
N15 C44 N16 C42 6(3) .
C52 C44 N16 C42 -177.8(19) .
C49 N17 C45 C46 0.9(18) .
Zn6A N17 C45 C46 -178.6(16) 3_545
Zn6B N17 C45 C46 -169(2) 3_545
N17 C45 C46 C47 0.2(16) .
C45 C46 C47 C48 -2(3) .
C45 C46 C47 C43 -179(2) .
N15 C43 C47 C48 -176(2) .
N14 C43 C47 C48 5(4) .
N15 C43 C47 C46 2(3) .
N14 C43 C47 C46 -177.5(19) .
C46 C47 C48 C49 2(4) .
C43 C47 C48 C49 179(3) .
C45 N17 C49 C48 -1(4) .
Zn6A N17 C49 C48 179(3) 3_545
Zn6B N17 C49 C48 173(3) 3_545
C47 C48 C49 N17 -1(5) .
C54 N18 C50 C51 0(4) .
Zn4A N18 C50 C51 -176(2) .
Zn3B N18 C50 C51 -161(2) .
N18 C50 C51 C52 -2(5) .
C50 C51 C52 C53 -1(4) .
C50 C51 C52 C44 -179(2) .
N15 C44 C52 C51 -180(3) .
N16 C44 C52 C51 4(4) .
N15 C44 C52 C53 2(4) .
N16 C44 C52 C53 -173(2) .
C51 C52 C53 C54 6(4) .
C44 C52 C53 C54 -177(3) .
C52 C53 C54 N18 -7(5) .
C50 N18 C54 C53 4(5) .
Zn4A N18 C54 C53 -179(2) .
Zn3B N18 C54 C53 166(2) .
C59 N19 C55 C56 -1(4) .
Zn4A N19 C55 C56 176.5(17) .
Zn3B N19 C55 C56 175.8(17) .
N19 C55 C56 C57 -1(3) .
C55 C56 C57 C60 179(2) .
C55 C56 C57 C58 -1(4) .
C56 C57 C58 C59 5(5) .
C60 C57 C58 C59 -175(3) .
C57 C58 C59 N19 -7(6) .
C55 N19 C59 C58 5(6) .
Zn4A N19 C59 C58 -172(4) .
Zn3B N19 C59 C58 -171(3) .
C56 C57 C60 N22 -163(2) .
C58 C57 C60 N22 17(3) .
C56 C57 C60 N20 19(3) .
C58 C57 C60 N20 -161(2) .
N22 C60 N20 C61 -3(3) .
C57 C60 N20 C61 175.3(18) .
C60 N20 C61 N21 4(3) .
C60 N20 C61 C65 -173.2(16) .
N20 C61 N21 C62 0(3) .
C65 C61 N21 C62 177.2(17) .
C61 N21 C62 N22 -6(3) .
C61 N21 C62 C70 -179(2) .
N20 C60 N22 C62 -3(3) .
C57 C60 N22 C62 179.1(19) .
N21 C62 N22 C60 7(3) .
C70 C62 N22 C60 -179(2) .
C67 N23 C63 C64 -3(3) .
Zn5 N23 C63 C64 -171.3(17) .
N23 C63 C64 C65 4(4) .
C63 C64 C65 C66 -3(3) .
C63 C64 C65 C61 177(2) .
N21 C61 C65 C64 11(3) .
N20 C61 C65 C64 -171.2(18) .
N21 C61 C65 C66 -169.0(19) .
N20 C61 C65 C66 9(3) .
C64 C65 C66 C67 2(3) .
C61 C65 C66 C67 -178.1(18) .
C63 N23 C67 C66 2(3) .
Zn5 N23 C67 C66 170.6(16) .
C65 C66 C67 N23 -1(3) .
C72 N24 C68 C69 9(7) .
Zn6B N24 C68 C69 163(5) .
Zn6A N24 C68 C69 175(4) .
N24 C68 C69 C70 1(8) .
C68 C69 C70 C71 -9(5) .
C68 C69 C70 C62 173(4) .
N21 C62 C70 C71 -19(3) .
N22 C62 C70 C71 168(2) .
N21 C62 C70 C69 160(3) .
N22 C62 C70 C69 -14(4) .
C69 C70 C71 C72 7(5) .
C62 C70 C71 C72 -175(3) .
C68 N24 C72 C71 -12(6) .
Zn6B N24 C72 C71 -151(4) .
Zn6A N24 C72 C71 -178(3) .
C70 C71 C72 N24 4(6) .
C78A C73A C74A C75A 0.0 .
C81A C73A C74A C75A 170(3) .
C78A C73A C74A O1A -175(3) .
C81A C73A C74A O1A -5(3) .
C73A C74A C75A C76A 0.0 .
O1A C74A C75A C76A 174(4) .
C74A C75A C76A C77A 0.0 .
C75A C76A C77A C78A 0.0 .
C75A C76A C77A C79A 172(3) .
C76A C77A C78A C73A 0.0 .
C79A C77A C78A C73A -171(3) .
C76A C77A C78A C80A -171(4) .
C79A C77A C78A C80A 19(4) .
C74A C73A C78A C77A 0.0 .
C81A C73A C78A C77A -170(3) .
C74A C73A C78A C80A 171(3) .
C81A C73A C78A C80A 1(4) .
C74A C73A C81A C82A 93(2) .
C78A C73A C81A C82A -96(2) .
C74A C73A C81A C86A -91(3) .
C78A C73A C81A C86A 79(3) .
C86A C81A C82A C83A 0.0 .
C73A C81A C82A C83A 175(3) .
C86A C81A C82A O2A -174(3) .
C73A C81A C82A O2A 1(3) .
C81A C82A C83A C84A 0.0 .
O2A C82A C83A C84A 174(3) .
C82A C83A C84A C85A 0.0 .
C83A C84A C85A C86A 0.0 .
C83A C84A C85A C87A -175(4) .
C84A C85A C86A C81A 0.0 .
C87A C85A C86A C81A 175(4) .
C84A C85A C86A C88A 179(4) .
C87A C85A C86A C88A -6(4) .
C82A C81A C86A C85A 0.0 .
C73A C81A C86A C85A -175(3) .
C82A C81A C86A C88A -179(4) .
C73A C81A C86A C88A 6(4) .
C94A C89A C90A C91A 0.0 .
C97A C89A C90A C91A -178(3) .
C94A C89A C90A O3A 173(3) .
C97A C89A C90A O3A -5(4) .
C89A C90A C91A C92A 0.0 .
O3A C90A C91A C92A -173(3) .
C90A C91A C92A C93A 0.0 .
C91A C92A C93A C94A 0.0 .
C91A C92A C93A C95A -179(3) .
C92A C93A C94A C89A 0.0 .
C95A C93A C94A C89A 179(3) .
C92A C93A C94A C96A -178(3) .
C95A C93A C94A C96A 2(4) .
C90A C89A C94A C93A 0.0 .
C97A C89A C94A C93A 178(3) .
C90A C89A C94A C96A 178(4) .
C97A C89A C94A C96A -4(4) .
C90A C89A C97A C98A 78(3) .
C94A C89A C97A C98A -100(2) .
C90A C89A C97A C102 -99(3) .
C94A C89A C97A C102 82(4) .
C102 C97A C98A C99A 0.0 .
C89A C97A C98A C99A -178(4) .
C102 C97A C98A O4A -175(5) .
C89A C97A C98A O4A 8(4) .
C97A C98A C99A C100 0.0 .
O4A C98A C99A C100 174(5) .
C98A C99A C100 C101 0.0 .
C99A C100 C101 C102 0.0 .
C99A C100 C101 C103 -174(4) .
C100 C101 C102 C97A 0.0 .
C103 C101 C102 C97A 174(4) .
C100 C101 C102 C104 178(4) .
C103 C101 C102 C104 -8(5) .
C98A C97A C102 C101 0.0 .
C89A C97A C102 C101 178(4) .
C98A C97A C102 C104 -178(4) .
C89A C97A C102 C104 -1(5) .
