#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:29:45 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180508 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/77/7217756.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_7217756
loop_
_publ_author_name
'Huang, Wan-Yun'
'Li, Ji'
'Kong, Shi-Lin'
'Wang, Zhong-Chang'
'Zhu, Hai-Liang'
_publ_section_title
;
 Cu(ii) and Co(ii) ternary complexes of quinolone antimicrobial drug
 enoxacin and levofloxacin: structure and biological evaluation
;
_journal_issue                   66
_journal_name_full               'RSC Advances'
_journal_page_first              35193
_journal_paper_doi               10.1039/C4RA05812G
_journal_volume                  4
_journal_year                    2014
_chemical_formula_moiety         'C48 H48 Cl2 Co F2 N8 O24'
_chemical_formula_sum            'C48 H48 Cl2 Co F2 N8 O24'
_chemical_formula_weight         1288.77
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 109.733(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.360(11)
_cell_length_b                   32.323(16)
_cell_length_c                   10.184(5)
_cell_measurement_reflns_used    5471
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.74
_cell_measurement_theta_min      2.47
_cell_volume                     6308(6)
_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-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0861
_diffrn_reflns_av_sigmaI/netI    0.0667
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            26289
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.12
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.443
_exptl_absorpt_correction_T_max  0.9285
_exptl_absorpt_correction_T_min  0.8973
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.357
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2652
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.732
_refine_diff_density_min         -0.536
_refine_diff_density_rms         0.093
_refine_ls_extinction_coef       0.0017(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     400
_refine_ls_number_reflns         5448
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.097
_refine_ls_R_factor_all          0.1422
_refine_ls_R_factor_gt           0.0987
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1199P)²+48.5537P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2574
_refine_ls_wR_factor_ref         0.3029
_reflns_number_gt                3676
_reflns_number_total             5448
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ra05812g2.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        6309(6)
_cod_original_sg_symbol_H-M      'C2/c '
_cod_database_code               7217756
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
Co1 Co 0.5000 0.10165(3) 0.7500 0.0422(4) Uani 1 2 d S . .
C1 C 0.6071(3) 0.13990(19) 0.6482(7) 0.0451(15) Uani 1 1 d . . .
C2 C 0.5620(3) 0.17797(17) 0.6137(6) 0.0399(13) Uani 1 1 d . . .
C3 C 0.5941(3) 0.21536(19) 0.6085(7) 0.0460(15) Uani 1 1 d . . .
H3 H 0.6421 0.2155 0.6277 0.055 Uiso 1 1 calc R . .
C4 C 0.4884(3) 0.17693(18) 0.5821(7) 0.0424(14) Uani 1 1 d . . .
C5 C 0.4511(3) 0.21537(18) 0.5343(7) 0.0451(15) Uani 1 1 d . . .
C6 C 0.4869(3) 0.25203(19) 0.5363(8) 0.0510(17) Uani 1 1 d . . .
C7 C 0.4512(4) 0.2902(2) 0.4985(11) 0.072(3) Uani 1 1 d . A .
C8 C 0.3779(4) 0.2910(2) 0.4511(11) 0.077(3) Uani 1 1 d . . .
C9 C 0.3435(3) 0.2526(2) 0.4410(9) 0.063(2) Uani 1 1 d . . .
C10 C 0.3773(3) 0.2162(2) 0.4841(8) 0.0511(17) Uani 1 1 d . . .
H10 H 0.3521 0.1920 0.4807 0.061 Uiso 1 1 calc R . .
C13 C 0.5968(4) 0.2908(2) 0.5792(9) 0.0581(19) Uani 1 1 d . . .
H13B H 0.6414 0.2854 0.5654 0.070 Uiso 0.485(9) 1 calc PR A 1
H13A H 0.6442 0.2880 0.6460 0.070 Uiso 0.515(9) 1 d PR A 2
C15 C 0.2754(4) 0.3341(3) 0.4377(14) 0.099(4) Uani 1 1 d . . .
H15B H 0.2741 0.3189 0.5189 0.119 Uiso 1 1 calc R . .
H15A H 0.2396 0.3232 0.3559 0.119 Uiso 1 1 calc R . .
C16 C 0.2632(5) 0.3807(3) 0.4547(12) 0.087(3) Uani 1 1 d . . .
H16A H 0.2185 0.3847 0.4675 0.105 Uiso 1 1 calc R . .
H16B H 0.2995 0.3915 0.5360 0.105 Uiso 1 1 calc R . .
C17 C 0.3469(5) 0.3510(3) 0.2969(12) 0.087(3) Uani 1 1 d . . .
H17A H 0.3122 0.3391 0.2153 0.105 Uiso 1 1 calc R . .
H17B H 0.3925 0.3472 0.2880 0.105 Uiso 1 1 calc R . .
C18 C 0.3324(4) 0.3967(2) 0.3056(12) 0.084(3) Uani 1 1 d . . .
H18A H 0.3692 0.4090 0.3830 0.101 Uiso 1 1 calc R . .
H18B H 0.3320 0.4103 0.2205 0.101 Uiso 1 1 calc R . .
C19 C 0.2474(5) 0.4482(2) 0.3311(12) 0.089(3) Uani 1 1 d . . .
H19A H 0.2693 0.4584 0.4243 0.133 Uiso 1 1 calc R . .
H19B H 0.1978 0.4518 0.3041 0.133 Uiso 1 1 calc R . .
H19C H 0.2646 0.4634 0.2683 0.133 Uiso 1 1 calc R . .
C20 C 0.4056(3) 0.0515(2) 0.4941(7) 0.0494(16) Uani 1 1 d . . .
H20 H 0.3908 0.0769 0.4515 0.059 Uiso 1 1 calc R . .
C21 C 0.3771(4) 0.0157(2) 0.4232(8) 0.0609(19) Uani 1 1 d . . .
H21 H 0.3434 0.0177 0.3350 0.073 Uiso 1 1 calc R . .
C22 C 0.3972(4) -0.0225(2) 0.4798(8) 0.0583(19) Uani 1 1 d . . .
H22 H 0.3780 -0.0464 0.4313 0.070 Uiso 1 1 calc R . .
C23 C 0.4485(3) -0.02446(19) 0.6159(7) 0.0459(15) Uani 1 1 d . . .
C24 C 0.4746(3) 0.01346(17) 0.6809(6) 0.0362(13) Uani 1 1 d . . .
C25 C 0.4754(4) -0.06207(19) 0.6851(8) 0.0607(19) Uani 1 1 d . . .
H25 H 0.4593 -0.0871 0.6411 0.073 Uiso 1 1 calc R . .
C12A C 0.5619(7) 0.3254(4) 0.6306(17) 0.062(3) Uani 0.515(9) 1 d P A 2
H12B H 0.5867 0.3514 0.6371 0.074 Uiso 0.515(9) 1 calc PR A 2
H12A H 0.5575 0.3189 0.7203 0.074 Uiso 0.515(9) 1 calc PR A 2
C14A C 0.6103(10) 0.3082(6) 0.726(2) 0.077(3) Uani 0.485(9) 1 d P A 1
H14B H 0.5667 0.3120 0.7409 0.116 Uiso 0.485(9) 1 calc PR A 1
H14A H 0.6339 0.3343 0.7344 0.116 Uiso 0.485(9) 1 calc PR A 1
H14C H 0.6388 0.2892 0.7936 0.116 Uiso 0.485(9) 1 calc PR A 1
C12B C 0.5517(8) 0.3186(4) 0.4621(19) 0.062(3) Uani 0.485(9) 1 d P A 1
H12D H 0.5392 0.3048 0.3724 0.074 Uiso 0.485(9) 1 calc PR A 1
H12C H 0.5754 0.3443 0.4578 0.074 Uiso 0.485(9) 1 calc PR A 1
C14B C 0.6011(9) 0.2975(5) 0.4395(19) 0.077(3) Uani 0.515(9) 1 d P A 2
H14D H 0.6117 0.2718 0.4037 0.116 Uiso 0.515(9) 1 calc PR A 2
H14E H 0.6372 0.3173 0.4453 0.116 Uiso 0.515(9) 1 calc PR A 2
H14F H 0.5572 0.3079 0.3783 0.116 Uiso 0.515(9) 1 calc PR A 2
Cl1 Cl 0.2301(3) 0.08814(19) 0.1491(6) 0.166(2) Uani 1 1 d . . .
F1 F 0.2724(2) 0.25220(15) 0.3809(6) 0.0861(17) Uani 1 1 d . . .
N1 N 0.5599(3) 0.25119(15) 0.5775(6) 0.0504(14) Uani 1 1 d . A .
N2 N 0.3447(3) 0.3299(2) 0.4226(10) 0.088(3) Uani 1 1 d . . .
N3 N 0.2642(3) 0.40283(19) 0.3257(9) 0.072(2) Uani 1 1 d . . .
N4 N 0.4530(2) 0.05083(14) 0.6199(5) 0.0412(12) Uani 1 1 d . . .
O1 O 0.6656(3) 0.14248(17) 0.6310(7) 0.0813(19) Uani 1 1 d . . .
O2 O 0.5875(2) 0.10700(12) 0.6912(5) 0.0473(11) Uani 1 1 d . . .
O3 O 0.4542(2) 0.14479(12) 0.5921(5) 0.0486(11) Uani 1 1 d . . .
O4 O 0.4859(3) 0.32626(15) 0.5058(10) 0.108(3) Uani 1 1 d . . .
O5 O 0.2098(10) 0.0591(7) 0.225(2) 0.288(10) Uani 1 1 d . . .
O6 O 0.1831(11) 0.1091(7) 0.073(3) 0.369(15) Uani 1 1 d . . .
O7 O 0.2701(15) 0.0675(8) 0.094(3) 0.387(17) Uani 1 1 d . . .
O8 O 0.2738(15) 0.1184(9) 0.2525(19) 0.362(17) Uani 1 1 d . . .
O9 O 0.6707(15) 0.1807(4) 0.386(2) 0.324(14) Uani 1 1 d . . .
O10 O 0.7381(17) 0.2700(7) 0.457(4) 0.367(15) Uani 1 1 d . . .
O11 O 0.5000 0.4143(15) 0.2500 0.50(4) Uani 1 2 d S . .
O12 O 0.5000 0.2092(17) 0.2500 0.44(3) Uani 1 2 d S . .
O13 O 0.493(2) 0.543(3) 0.012(12) 1.36(17) Uani 1 1 d . . .
H3A H 0.219(6) 0.386(4) 0.251(13) 0.13(4) Uiso 1 1 d . . .
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'
Co Co 0.3494 0.9721 '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'
Cl Cl 0.1484 0.1585 '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
O2 Co1 O2 170.4(2) . 2_656
O2 Co1 O3 87.85(17) . 2_656
O2 Co1 O3 85.77(17) 2_656 2_656
O2 Co1 O3 85.77(17) . .
O2 Co1 O3 87.85(17) 2_656 .
O3 Co1 O3 96.5(2) 2_656 .
O2 Co1 N4 97.75(18) . .
O2 Co1 N4 89.68(18) 2_656 .
O3 Co1 N4 169.60(19) 2_656 .
O3 Co1 N4 92.63(19) . .
O2 Co1 N4 89.68(18) . 2_656
O2 Co1 N4 97.75(18) 2_656 2_656
O3 Co1 N4 92.63(18) 2_656 2_656
O3 Co1 N4 169.60(19) . 2_656
N4 Co1 N4 78.7(3) . 2_656
O2 C1 O1 121.7(6) . .
O2 C1 C2 122.0(5) . .
O1 C1 C2 116.3(5) . .
C3 C2 C4 119.2(5) . .
C3 C2 C1 117.7(5) . .
C4 C2 C1 123.1(5) . .
N1 C3 C2 123.6(6) . .
N1 C3 H3 118.2 . .
C2 C3 H3 118.2 . .
O3 C4 C2 124.3(5) . .
O3 C4 C5 119.1(5) . .
C2 C4 C5 116.6(5) . .
C6 C5 C10 118.5(5) . .
C6 C5 C4 120.9(5) . .
C10 C5 C4 120.6(5) . .
C5 C6 N1 119.1(5) . .
C5 C6 C7 121.4(6) . .
N1 C6 C7 119.5(6) . .
O4 C7 C8 118.6(6) . .
O4 C7 C6 121.6(6) . .
C8 C7 C6 119.7(6) . .
C7 C8 C9 117.0(6) . .
C7 C8 N2 117.8(7) . .
C9 C8 N2 125.2(6) . .
C10 C9 F1 118.8(6) . .
C10 C9 C8 123.4(6) . .
F1 C9 C8 117.7(6) . .
C9 C10 C5 119.7(6) . .
C9 C10 H10 120.1 . .
C5 C10 H10 120.1 . .
C14B C13 N1 108.2(9) . .
C14B C13 C12A 114.5(10) . .
N1 C13 C12A 110.4(7) . .
C14B C13 C12B 51.3(9) . .
N1 C13 C12B 109.3(7) . .
C12A C13 C12B 66.8(9) . .
C14B C13 C14A 147.0(11) . .
N1 C13 C14A 104.7(9) . .
C12A C13 C14A 48.7(9) . .
C12B C13 C14A 114.1(11) . .
C14B C13 H13B 61.8 . .
N1 C13 H13B 109.5 . .
C12A C13 H13B 138.4 . .
C12B C13 H13B 109.5 . .
C14A C13 H13B 109.5 . .
C14B C13 H13A 108.6 . .
N1 C13 H13A 107.7 . .
C12A C13 H13A 107.2 . .
C12B C13 H13A 142.1 . .
C14A C13 H13A 63.0 . .
H13B C13 H13A 48.7 . .
N2 C15 C16 107.3(7) . .
N2 C15 H15B 110.3 . .
C16 C15 H15B 110.3 . .
N2 C15 H15A 110.3 . .
C16 C15 H15A 110.3 . .
H15B C15 H15A 108.5 . .
N3 C16 C15 108.4(9) . .
N3 C16 H16A 110.0 . .
C15 C16 H16A 110.0 . .
N3 C16 H16B 110.0 . .
C15 C16 H16B 110.0 . .
H16A C16 H16B 108.4 . .
N2 C17 C18 109.7(9) . .
N2 C17 H17A 109.7 . .
C18 C17 H17A 109.7 . .
N2 C17 H17B 109.7 . .
C18 C17 H17B 109.7 . .
H17A C17 H17B 108.2 . .
N3 C18 C17 110.3(6) . .
N3 C18 H18A 109.6 . .
C17 C18 H18A 109.6 . .
N3 C18 H18B 109.6 . .
C17 C18 H18B 109.6 . .
H18A C18 H18B 108.1 . .
N3 C19 H19A 109.5 . .
N3 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
N3 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
N4 C20 C21 122.3(6) . .
N4 C20 H20 118.8 . .
C21 C20 H20 118.8 . .
C22 C21 C20 121.5(7) . .
C22 C21 H21 119.2 . .
C20 C21 H21 119.2 . .
C21 C22 C23 117.8(6) . .
C21 C22 H22 121.1 . .
C23 C22 H22 121.1 . .
C24 C23 C25 119.4(6) . .
C24 C23 C22 117.0(6) . .
C25 C23 C22 123.6(6) . .
N4 C24 C23 123.0(6) . .
N4 C24 C24 117.5(3) . 2_656
C23 C24 C24 119.5(4) . 2_656
C25 C25 C23 121.1(4) 2_656 .
C25 C25 H25 119.5 2_656 .
C23 C25 H25 119.5 . .
C13 C12A O4 100.1(10) . .
C13 C12A H12B 111.8 . .
O4 C12A H12B 111.8 . .
C13 C12A H12A 111.8 . .
O4 C12A H12A 111.8 . .
H12B C12A H12A 109.5 . .
C13 C14A H13A 38.8 . .
C13 C14A H14B 109.5 . .
H13A C14A H14B 145.3 . .
C13 C14A H14A 109.5 . .
H13A C14A H14A 97.8 . .
C13 C14A H14C 109.5 . .
H13A C14A H14C 79.7 . .
C13 C12B O4 102.6(11) . .
C13 C12B H12D 111.2 . .
O4 C12B H12D 111.2 . .
C13 C12B H12C 111.2 . .
O4 C12B H12C 111.2 . .
H12D C12B H12C 109.2 . .
C13 C14B H14D 109.5 . .
C13 C14B H14E 109.5 . .
H14D C14B H14E 109.5 . .
C13 C14B H14F 109.5 . .
H14D C14B H14F 109.5 . .
H14E C14B H14F 109.5 . .
O6 Cl1 O7 118.4(18) . .
O6 Cl1 O5 115.0(16) . .
O7 Cl1 O5 103.9(16) . .
O6 Cl1 O8 103.8(18) . .
O7 Cl1 O8 109.1(19) . .
O5 Cl1 O8 106.0(12) . .
C3 N1 C6 120.2(5) . .
C3 N1 C13 121.8(5) . .
C6 N1 C13 117.9(5) . .
C8 N2 C17 116.1(8) . .
C8 N2 C15 118.0(6) . .
C17 N2 C15 111.2(7) . .
C18 N3 C16 110.2(6) . .
C18 N3 C19 111.5(6) . .
C16 N3 C19 111.2(8) . .
C18 N3 H3A 115(6) . .
C16 N3 H3A 97(6) . .
C19 N3 H3A 111(6) . .
C20 N4 C24 118.4(5) . .
C20 N4 Co1 128.4(4) . .
C24 N4 Co1 113.2(4) . .
C1 O2 Co1 125.0(4) . .
C4 O3 Co1 119.3(4) . .
C7 O4 C12B 109.2(7) . .
C7 O4 C12A 111.5(7) . .
C12B O4 C12A 62.8(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O2 2.069(4) .
Co1 O2 2.069(4) 2_656
Co1 O3 2.095(4) 2_656
Co1 O3 2.095(4) .
Co1 N4 2.124(5) .
Co1 N4 2.124(5) 2_656
C1 O2 1.265(7) .
C1 O1 1.265(8) .
C1 C2 1.504(8) .
C2 C3 1.384(8) .
C2 C4 1.422(8) .
C3 N1 1.333(8) .
C3 H3 0.9300 .
C4 O3 1.274(7) .
C4 C5 1.452(8) .
C5 C6 1.388(8) .
C5 C10 1.414(8) .
C6 N1 1.403(8) .
C6 C7 1.419(9) .
C7 O4 1.351(8) .
C7 C8 1.404(10) .
C8 C9 1.412(11) .
C8 N2 1.413(9) .
C9 C10 1.358(9) .
C9 F1 1.368(8) .
C10 H10 0.9300 .
C13 C14B 1.471(19) .
C13 N1 1.480(8) .
C13 C12A 1.510(17) .
C13 C12B 1.527(16) .
C13 C14A 1.53(2) .
C13 H13B 0.9800 .
C13 H13A 0.9800 .
C15 N2 1.475(10) .
C15 C16 1.544(13) .
C15 H15B 0.9700 .
C15 H15A 0.9700 .
C16 N3 1.503(12) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 N2 1.463(12) .
C17 C18 1.516(11) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 N3 1.485(10) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 N3 1.512(9) .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 N4 1.319(8) .
C20 C21 1.382(10) .
C20 H20 0.9300 .
C21 C22 1.367(10) .
C21 H21 0.9300 .
C22 C23 1.428(10) .
C22 H22 0.9300 .
C23 C24 1.409(8) .
C23 C25 1.419(9) .
C24 N4 1.362(7) .
C24 C24 1.438(12) 2_656
C25 C25 1.362(15) 2_656
C25 H25 0.9300 .
C12A O4 1.639(16) .
C12A H12B 0.9700 .
C12A H12A 0.9700 .
C14A H13A 1.3924 .
C14A H14B 0.9600 .
C14A H14A 0.9600 .
C14A H14C 0.9600 .
C12B O4 1.567(18) .
C12B H12D 0.9700 .
C12B H12C 0.9700 .
C14B H14D 0.9600 .
C14B H14E 0.9600 .
C14B H14F 0.9600 .
Cl1 O6 1.216(14) .
Cl1 O7 1.318(16) .
Cl1 O5 1.364(16) .
Cl1 O8 1.49(2) .
N3 H3A 1.12(12) .
O10 O10 1.54(4) 7_656
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O2 C1 C2 C3 161.0(6) . .
O1 C1 C2 C3 -19.5(9) . .
O2 C1 C2 C4 -21.2(10) . .
O1 C1 C2 C4 158.4(7) . .
C4 C2 C3 N1 1.2(10) . .
C1 C2 C3 N1 179.1(6) . .
C3 C2 C4 O3 -175.4(6) . .
C1 C2 C4 O3 6.7(10) . .
C3 C2 C4 C5 5.2(9) . .
C1 C2 C4 C5 -172.6(6) . .
O3 C4 C5 C6 172.9(7) . .
C2 C4 C5 C6 -7.7(10) . .
O3 C4 C5 C10 -7.2(10) . .
C2 C4 C5 C10 172.2(6) . .
C10 C5 C6 N1 -176.0(7) . .
C4 C5 C6 N1 3.9(11) . .
C10 C5 C6 C7 4.3(12) . .
C4 C5 C6 C7 -175.8(8) . .
C5 C6 C7 O4 177.2(9) . .
N1 C6 C7 O4 -2.4(14) . .
C5 C6 C7 C8 -3.2(14) . .
N1 C6 C7 C8 177.1(8) . .
O4 C7 C8 C9 178.2(9) . .
C6 C7 C8 C9 -1.4(15) . .
O4 C7 C8 N2 -4.2(15) . .
C6 C7 C8 N2 176.3(9) . .
C7 C8 C9 C10 5.1(15) . .
N2 C8 C9 C10 -172.4(9) . .
C7 C8 C9 F1 -173.0(8) . .
N2 C8 C9 F1 9.5(15) . .
F1 C9 C10 C5 174.0(7) . .
C8 C9 C10 C5 -4.1(14) . .
C6 C5 C10 C9 -0.7(12) . .
C4 C5 C10 C9 179.4(7) . .
N2 C15 C16 N3 61.2(10) . .
N2 C17 C18 N3 -56.8(11) . .
N4 C20 C21 C22 -0.6(12) . .
C20 C21 C22 C23 0.5(12) . .
C21 C22 C23 C24 -0.3(10) . .
C21 C22 C23 C25 -178.1(7) . .
C25 C23 C24 N4 178.0(6) . .
C22 C23 C24 N4 0.1(9) . .
C25 C23 C24 C24 -3.2(11) . 2_656
C22 C23 C24 C24 178.9(7) . 2_656
C24 C23 C25 C25 2.0(14) . 2_656
C22 C23 C25 C25 179.7(9) . 2_656
C14B C13 C12A O4 57.9(12) . .
N1 C13 C12A O4 -64.5(9) . .
C12B C13 C12A O4 38.5(8) . .
C14A C13 C12A O4 -156.3(14) . .
C14B C13 C12B O4 161.9(15) . .
N1 C13 C12B O4 63.6(11) . .
C12A C13 C12B O4 -41.0(9) . .
C14A C13 C12B O4 -53.1(13) . .
C2 C3 N1 C6 -5.4(11) . .
C2 C3 N1 C13 177.2(7) . .
C5 C6 N1 C3 2.7(11) . .
C7 C6 N1 C3 -177.6(8) . .
C5 C6 N1 C13 -179.8(7) . .
C7 C6 N1 C13 -0.1(11) . .
C14B C13 N1 C3 89.8(10) . .
C12A C13 N1 C3 -144.2(9) . .
C12B C13 N1 C3 144.2(9) . .
C14A C13 N1 C3 -93.3(10) . .
C14B C13 N1 C6 -87.7(10) . .
C12A C13 N1 C6 38.3(10) . .
C12B C13 N1 C6 -33.3(11) . .
C14A C13 N1 C6 89.3(10) . .
C7 C8 N2 C17 72.5(13) . .
C9 C8 N2 C17 -110.1(11) . .
C7 C8 N2 C15 -151.8(10) . .
C9 C8 N2 C15 25.6(16) . .
C18 C17 N2 C8 -160.7(7) . .
C18 C17 N2 C15 60.7(10) . .
C16 C15 N2 C8 159.6(9) . .
C16 C15 N2 C17 -62.7(12) . .
C17 C18 N3 C16 57.4(11) . .
C17 C18 N3 C19 -178.6(9) . .
C15 C16 N3 C18 -59.7(10) . .
C15 C16 N3 C19 176.1(7) . .
C21 C20 N4 C24 0.4(10) . .
C21 C20 N4 Co1 -177.0(5) . .
C23 C24 N4 C20 -0.1(9) . .
C24 C24 N4 C20 -179.0(6) 2_656 .
C23 C24 N4 Co1 177.7(5) . .
C24 C24 N4 Co1 -1.2(8) 2_656 .
O2 Co1 N4 C20 -93.9(6) . .
O2 Co1 N4 C20 80.0(6) 2_656 .
O3 Co1 N4 C20 143.9(9) 2_656 .
O3 Co1 N4 C20 -7.8(6) . .
N4 Co1 N4 C20 178.0(7) 2_656 .
O2 Co1 N4 C24 88.5(4) . .
O2 Co1 N4 C24 -97.6(4) 2_656 .
O3 Co1 N4 C24 -33.6(12) 2_656 .
O3 Co1 N4 C24 174.6(4) . .
N4 Co1 N4 C24 0.4(3) 2_656 .
O1 C1 O2 Co1 170.7(5) . .
C2 C1 O2 Co1 -9.7(9) . .
O3 Co1 O2 C1 -62.1(5) 2_656 .
O3 Co1 O2 C1 34.6(5) . .
N4 Co1 O2 C1 126.7(5) . .
N4 Co1 O2 C1 -154.7(5) 2_656 .
C2 C4 O3 Co1 34.0(8) . .
C5 C4 O3 Co1 -146.6(5) . .
O2 Co1 O3 C4 -46.1(5) . .
O2 Co1 O3 C4 126.7(5) 2_656 .
O3 Co1 O3 C4 41.2(4) 2_656 .
N4 Co1 O3 C4 -143.7(5) . .
N4 Co1 O3 C4 -110.4(10) 2_656 .
C8 C7 O4 C12B -142.6(10) . .
C6 C7 O4 C12B 37.0(13) . .
C8 C7 O4 C12A 149.9(10) . .
C6 C7 O4 C12A -30.5(14) . .
C13 C12B O4 C7 -66.3(11) . .
C13 C12B O4 C12A 38.7(8) . .
C13 C12A O4 C7 62.4(11) . .
C13 C12A O4 C12B -38.8(8) . .
