# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_mo_0920_0m
_database_code_depnum_ccdc_archive 'CCDC 2208012'
loop_
_audit_author_name
_audit_author_address
'Yuangang Xu'
;Nanjing University of Science and Technology
China
;
_audit_update_record             
;
2022-09-19 deposited with the CCDC.	2024-01-02 downloaded from the CCDC.
;
_audit_creation_date             2021-09-22
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C6 H9 K5 N10 O6'
_chemical_formula_sum            'C6 H9 K5 N10 O6'
_chemical_formula_weight         512.73
_chemical_melting_point          ?
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'
K K 0.2009 0.2494 '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'

_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.
;
_space_group_crystal_system      trigonal
_space_group_IT_number           165
_space_group_name_H-M_alt        'P -3 c 1'
_space_group_name_Hall           '-P 3 2"c'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'-x+y, y, z-1/2'
'x, x-y, z-1/2'

_cell_length_a                   10.3592(2)
_cell_length_b                   10.3592(2)
_cell_length_c                   20.7675(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     1930.04(11)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3671
_cell_measurement_temperature    243(2)
_cell_measurement_theta_max      26.23
_cell_measurement_theta_min      3.00
_shelx_estimated_absorpt_T_max   0.891
_shelx_estimated_absorpt_T_min   0.861
_exptl_absorpt_coefficient_mu    1.185
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6586
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0732 before and 0.0552 after correction.
The Ratio of minimum to maximum transmission is 0.8836.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.765
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1032
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0464
_diffrn_reflns_av_unetI/netI     0.0239
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            10672
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.018
_diffrn_reflns_theta_max         25.018
_diffrn_reflns_theta_min         2.270
_diffrn_ambient_temperature      243.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                985
_reflns_number_total             1152
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.278
_refine_diff_density_min         -0.325
_refine_diff_density_rms         0.051
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.136
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     143
_refine_ls_number_reflns         1152
_refine_ls_number_restraints     105
_refine_ls_R_factor_all          0.0353
_refine_ls_R_factor_gt           0.0267
_refine_ls_restrained_S_all      1.088
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0250P)²+0.9464P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0573
_refine_ls_wR_factor_ref         0.0621
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 N5-N8 = N8-N9
 1.3 with sigma of 0.02
 N8-N9 = N9-N6
 1.3 with sigma of 0.02
 N9-N6 = N6-N4
 1.3 with sigma of 0.02
 N4-N5 = N5-N8
 1.3 with sigma of 0.02
 K003-N5
 2.934 with sigma of 0.001
 N8-N6
 2.117 with sigma of 0.04
 N4-N8
 2.117 with sigma of 0.04
 N9-N4
 2.117 with sigma of 0.04
 N5-N9
 2.117 with sigma of 0.04
3. Restrained planarity
 N5, N4, N6, N8, N9
 with sigma of 0.01
4. Uiso/Uaniso restraints and constraints
Uanis(N5) \\sim Ueq, Uanis(N4) \\sim Ueq, Uanis(N6) \\sim Ueq, Uanis(N8) \\sim
Ueq, Uanis(N9) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of
0.02
5. Rigid body (RIGU) restrains
 N008, N009, N1, N2, N3
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 N5, N4, N6, N8, N9
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
6. Others
 Fixed Sof: N009(0.5) N008(0.5) N1(0.5) N3(0.5) N2(0.5) N5(0.16667)
 N4(0.16667) N6(0.16667) N8(0.16667) N9(0.16667)
7.a Idealised Me refined as rotating group:
 C007(H00A,H00B,H00C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
K001 K 0.333333 0.666667 0.64155(4) 0.0266(2) Uani 1 3 d S T P . .
K002 K 0.666667 0.333333 0.64155(4) 0.0266(2) Uani 1 3 d S T P . .
K003 K 0.35987(5) 0.35990(5) 0.44751(2) 0.02896(16) Uani 1 1 d D . . . .
O004 O 0.31188(17) 0.43530(17) 0.57450(7) 0.0308(4) Uani 1 1 d . . . . .
O005 O 0.43556(17) 0.31224(18) 0.57445(7) 0.0315(4) Uani 1 1 d . . . . .
C006 C 0.3374(2) 0.3371(2) 0.59665(11) 0.0255(5) Uani 1 1 d . . . . .
C007 C 0.2453(3) 0.2453(3) 0.65280(12) 0.0428(6) Uani 1 1 d . . . . .
H00A H 0.154595 0.159998 0.637027 0.064 Uiso 1 1 calc R U . . .
H00B H 0.220150 0.305621 0.680005 0.064 Uiso 1 1 calc R U . . .
H00C H 0.301912 0.211069 0.677532 0.064 Uiso 1 1 calc R U . . .
N009 N 0.6239(9) 0.5277(7) 0.7176(6) 0.0347(13) Uani 0.5 1 d . . P A -1
N008 N 0.5641(12) 0.6053(8) 0.6991(3) 0.0336(14) Uani 0.5 1 d . . P A -1
N1 N 0.5265(6) 0.6536(7) 0.7505(7) 0.0383(13) Uani 0.5 1 d . . P A -1
N3 N 0.5659(12) 0.6051(8) 0.8012(3) 0.0349(14) Uani 0.5 1 d . . P A -1
N2 N 0.6251(9) 0.5273(8) 0.7815(6) 0.0359(13) Uani 0.5 1 d . . P A -1
N5 N 0.071(2) 0.122(2) 0.4945(16) 0.023(4) Uani 0.1667 1 d D U P B -1
N4 N 0.118(2) 0.028(4) 0.4892(14) 0.027(4) Uani 0.1667 1 d D U P B -1
N6 N 0.002(4) -0.105(3) 0.4849(11) 0.020(3) Uani 0.1667 1 d D U P B -1
N8 N -0.076(3) 0.048(4) 0.4935(17) 0.024(4) Uani 0.1667 1 d D U P B -1
N9 N -0.118(2) -0.092(3) 0.4876(14) 0.028(4) Uani 0.1667 1 d D U P B -1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
K001 K002 4.5045(12) 4_556 ?
K001 K003 3.8042(6) 8_566 ?
K001 K003 3.8042(6) 7_666 ?
K001 K003 3.8042(6) 9_556 ?
K001 O004 2.6833(15) 3_565 ?
K001 O004 2.6833(15) 2_665 ?
K001 O004 2.6833(15) . ?
K001 N008 3.011(12) . ?
K001 N1 3.069(12) . ?
K002 K003 3.8038(6) 9_656 ?
K002 K003 3.8038(6) 8_556 ?
K002 K003 3.8038(6) 7_666 ?
K002 O005 2.6830(15) 2_655 ?
K002 O005 2.6830(15) . ?
K002 O005 2.6830(16) 3_665 ?
K002 N009 2.763(6) . ?
K003 K003 3.6305(10) 7_666 ?
K003 O004 3.0098(17) 7_666 ?
K003 O004 2.8637(15) . ?
K003 O004 2.9554(16) 8_556 ?
K003 O005 2.8627(15) . ?
K003 O005 2.9576(16) 9_556 ?
K003 O005 3.0061(17) 7_666 ?
K003 C006 3.106(2) . ?
K003 C006 3.268(2) 7_666 ?
K003 N5 2.9340(11) . ?
K003 N4 3.20(4) . ?
O004 C006 1.259(2) . ?
O005 C006 1.255(3) . ?
C006 C007 1.506(3) . ?
C007 H00A 0.9700 . ?
C007 H00B 0.9700 . ?
C007 H00C 0.9700 . ?
N009 N008 1.294(7) . ?
N009 N2 1.327(8) . ?
N008 N1 1.318(7) . ?
N1 N3 1.316(7) . ?
N3 N2 1.298(7) . ?
N5 N4 1.302(17) . ?
N5 N8 1.312(13) . ?
N4 N6 1.302(16) . ?
N6 N9 1.306(13) . ?
N8 N9 1.302(13) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
K003 K001 K002 119.089(13) 7_666 4_556 ?
K003 K001 K002 119.088(13) 9_556 4_556 ?
K003 K001 K002 119.088(13) 8_566 4_556 ?
K003 K001 K003 98.365(16) 9_556 7_666 ?
K003 K001 K003 98.365(17) 8_566 7_666 ?
K003 K001 K003 98.365(17) 8_566 9_556 ?
O004 K001 K002 121.26(3) 3_565 4_556 ?
O004 K001 K002 121.26(3) . 4_556 ?
O004 K001 K002 121.26(3) 2_665 4_556 ?
O004 K001 K003 51.84(3) 3_565 9_556 ?
O004 K001 K003 50.68(4) 3_565 8_566 ?
O004 K001 K003 119.65(4) 3_565 7_666 ?
O004 K001 K003 50.68(3) 2_665 7_666 ?
O004 K001 K003 51.84(3) 2_665 8_566 ?
O004 K001 K003 119.65(4) . 8_566 ?
O004 K001 K003 119.65(4) 2_665 9_556 ?
O004 K001 K003 50.68(3) . 9_556 ?
O004 K001 K003 51.84(4) . 7_666 ?
O004 K001 O004 95.52(5) 3_565 2_665 ?
O004 K001 O004 95.51(5) 2_665 . ?
O004 K001 O004 95.51(5) 3_565 . ?
O004 K001 N008 74.78(19) . . ?
O004 K001 N008 170.2(2) 3_565 . ?
O004 K001 N008 83.99(14) 2_665 . ?
O004 K001 N1 96.20(16) . . ?
O004 K001 N1 163.7(2) 3_565 . ?
O004 K001 N1 94.62(17) 2_665 . ?
N008 K001 K002 66.6(2) . 4_556 ?
N008 K001 K003 132.83(12) . 8_566 ?
N008 K001 K003 120.10(15) . 9_556 ?
N008 K001 K003 53.0(2) . 7_666 ?
N008 K001 N1 25.02(13) . . ?
N1 K001 K002 42.5(2) . 4_556 ?
N1 K001 K003 76.6(2) . 7_666 ?
N1 K001 K003 130.23(12) . 8_566 ?
N1 K001 K003 131.40(12) . 9_556 ?
K003 K002 K001 119.095(13) 7_666 4_556 ?
K003 K002 K001 119.094(13) 9_656 4_556 ?
K003 K002 K001 119.095(13) 8_556 4_556 ?
K003 K002 K003 98.357(17) 8_556 7_666 ?
K003 K002 K003 98.357(17) 9_656 8_556 ?
K003 K002 K003 98.357(17) 9_656 7_666 ?
O005 K002 K001 121.30(4) 2_655 4_556 ?
O005 K002 K001 121.30(4) . 4_556 ?
O005 K002 K001 121.30(4) 3_665 4_556 ?
O005 K002 K003 51.77(4) 2_655 8_556 ?
O005 K002 K003 50.73(4) 2_655 9_656 ?
O005 K002 K003 119.61(4) 2_655 7_666 ?
O005 K002 K003 51.77(4) . 7_666 ?
O005 K002 K003 51.77(4) 3_665 9_656 ?
O005 K002 K003 119.61(4) . 9_656 ?
O005 K002 K003 119.61(4) 3_665 8_556 ?
O005 K002 K003 50.73(4) . 8_556 ?
O005 K002 K003 50.73(4) 3_665 7_666 ?
O005 K002 O005 95.47(5) 2_655 . ?
O005 K002 O005 95.47(5) 3_665 . ?
O005 K002 O005 95.47(5) 2_655 3_665 ?
O005 K002 N009 83.9(3) . . ?
O005 K002 N009 174.51(17) 2_655 . ?
O005 K002 N009 90.02(17) 3_665 . ?
N009 K002 K001 55.2(3) . 4_556 ?
N009 K002 K003 134.07(14) . 9_656 ?
N009 K002 K003 125.0(2) . 8_556 ?
N009 K002 K003 64.2(3) . 7_666 ?
K003 K003 K002 89.255(18) 7_666 7_666 ?
O004 K003 K002 97.18(3) . 7_666 ?
O004 K003 K002 140.97(3) 8_556 7_666 ?
O004 K003 K002 82.26(3) 7_666 7_666 ?
O004 K003 K003 50.03(3) 7_666 7_666 ?
O004 K003 K003 108.57(4) 8_556 7_666 ?
O004 K003 K003 53.66(3) . 7_666 ?
O004 K003 O004 103.69(4) . 7_666 ?
O004 K003 O004 121.49(4) . 8_556 ?
O004 K003 O004 83.52(6) 8_556 7_666 ?
O004 K003 O005 125.72(4) 8_556 7_666 ?
O004 K003 O005 77.87(4) . 9_556 ?
O004 K003 O005 87.25(4) . 7_666 ?
O004 K003 O005 142.49(5) 8_556 9_556 ?
O004 K003 C006 97.59(5) 8_556 . ?
O004 K003 C006 22.65(5) 7_666 7_666 ?
O004 K003 C006 103.19(5) 8_556 7_666 ?
O004 K003 C006 102.72(5) 7_666 . ?
O004 K003 C006 102.16(5) . 7_666 ?
O004 K003 C006 23.90(5) . . ?
O004 K003 N5 71.3(5) . . ?
O004 K003 N4 62.6(5) 8_556 . ?
O004 K003 N4 84.0(5) . . ?
O004 K003 N4 143.2(5) 7_666 . ?
O005 K003 K002 44.61(3) 9_556 7_666 ?
O005 K003 K002 137.08(4) . 7_666 ?
O005 K003 K002 44.52(3) 7_666 7_666 ?
O005 K003 K003 53.59(3) . 7_666 ?
O005 K003 K003 108.54(4) 9_556 7_666 ?
O005 K003 K003 50.03(3) 7_666 7_666 ?
O005 K003 O004 43.18(4) 7_666 7_666 ?
O005 K003 O004 125.70(4) 9_556 7_666 ?
O005 K003 O004 45.48(4) . . ?
O005 K003 O004 77.92(4) . 8_556 ?
O005 K003 O004 87.20(4) . 7_666 ?
O005 K003 O005 103.61(4) . 7_666 ?
O005 K003 O005 83.49(6) 9_556 7_666 ?
O005 K003 O005 121.49(4) . 9_556 ?
O005 K003 C006 102.75(5) 7_666 . ?
O005 K003 C006 23.83(5) . . ?
O005 K003 C006 22.58(5) 7_666 7_666 ?
O005 K003 C006 97.66(5) 9_556 . ?
O005 K003 C006 103.10(5) 9_556 7_666 ?
O005 K003 C006 102.12(5) . 7_666 ?
O005 K003 N5 78.6(8) . . ?
O005 K003 N4 91.1(5) 9_556 . ?
O005 K003 N4 170.5(5) 7_666 . ?
O005 K003 N4 72.6(5) . . ?
C006 K003 K002 59.79(4) 7_666 7_666 ?
C006 K003 K002 120.95(4) . 7_666 ?
C006 K003 K003 57.42(4) . 7_666 ?
C006 K003 K003 53.20(4) 7_666 7_666 ?
C006 K003 C006 110.62(5) . 7_666 ?
C006 K003 N4 70.1(5) . . ?
N5 K003 K002 113.1(8) . 7_666 ?
N5 K003 K003 122.9(6) . 7_666 ?
N5 K003 O004 164.1(9) . 7_666 ?
N5 K003 O004 86.5(7) . 8_556 ?
N5 K003 O005 147.7(6) . 7_666 ?
N5 K003 O005 68.9(8) . 9_556 ?
N5 K003 C006 170.2(6) . 7_666 ?
N5 K003 C006 66.3(7) . . ?
N5 K003 N4 24.0(4) . . ?
N4 K003 K002 133.2(5) . 7_666 ?
N4 K003 K003 125.5(5) . 7_666 ?
N4 K003 C006 165.4(5) . 7_666 ?
K001 O004 K003 83.65(4) . 7_666 ?
K001 O004 K003 84.71(4) . 9_556 ?
K001 O004 K003 140.66(6) . . ?
K003 O004 K003 95.82(5) . 9_556 ?
K003 O004 K003 76.31(4) . 7_666 ?
K003 O004 K003 149.70(6) 9_556 7_666 ?
C006 O004 K001 125.09(14) . . ?
C006 O004 K003 90.30(13) . 7_666 ?
C006 O004 K003 88.92(13) . . ?
C006 O004 K003 119.11(13) . 9_556 ?
K002 O005 K003 83.71(4) . 7_666 ?
K002 O005 K003 140.76(6) . . ?
K002 O005 K003 84.66(4) . 8_556 ?
K003 O005 K003 149.74(6) 8_556 7_666 ?
K003 O005 K003 95.79(5) . 8_556 ?
K003 O005 K003 76.39(4) . 7_666 ?
C006 O005 K002 125.02(14) . . ?
C006 O005 K003 118.85(13) . 8_556 ?
C006 O005 K003 89.03(13) . . ?
C006 O005 K003 90.54(13) . 7_666 ?
K003 C006 K003 69.38(5) . 7_666 ?
O004 C006 K003 67.18(12) . . ?
O004 C006 K003 67.05(12) . 7_666 ?
O004 C006 C007 118.1(2) . . ?
O005 C006 K003 67.14(12) . . ?
O005 C006 K003 66.88(12) . 7_666 ?
O005 C006 O004 123.4(2) . . ?
O005 C006 C007 118.5(2) . . ?
C007 C006 K003 145.55(16) . 7_666 ?
C007 C006 K003 145.07(16) . . ?
C006 C007 H00A 109.5 . . ?
C006 C007 H00B 109.5 . . ?
C006 C007 H00C 109.5 . . ?
H00A C007 H00B 109.5 . . ?
H00A C007 H00C 109.5 . . ?
H00B C007 H00C 109.5 . . ?
N008 N009 K002 125.8(11) . . ?
N008 N009 N2 107.8(5) . . ?
N2 N009 K002 124.3(10) . . ?
N009 N008 K001 157.8(5) . . ?
N009 N008 N1 108.7(6) . . ?
N1 N008 K001 79.9(10) . . ?
N008 N1 K001 75.1(10) . . ?
N3 N1 K001 160.1(5) . . ?
N3 N1 N008 107.2(6) . . ?
N2 N3 N1 108.6(6) . . ?
N3 N2 N009 107.7(5) . . ?
N4 N5 K003 89.6(18) . . ?
N4 N5 N8 108.4(18) . . ?
N8 N5 K003 152(3) . . ?
N5 N4 K003 66.4(15) . . ?
N5 N4 N6 107.8(17) . . ?
N6 N4 K003 159(2) . . ?
N4 N6 N9 108.1(16) . . ?
N9 N8 N5 107.4(17) . . ?
N8 N9 N6 108.3(16) . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
K001 O004 C006 K003 -82.44(12) . . . 7_666 ?
K001 O004 C006 K003 -158.75(14) . . . . ?
K001 O004 C006 O005 -120.2(2) . . . . ?
K001 O004 C006 C007 59.7(3) . . . . ?
K001 N008 N1 N3 159.4(5) . . . . ?
K001 N1 N3 N2 93(3) . . . . ?
K002 O005 C006 K003 82.70(12) . . . 7_666 ?
K002 O005 C006 K003 159.07(14) . . . . ?
K002 O005 C006 O004 120.5(2) . . . . ?
K002 O005 C006 C007 -59.3(3) . . . . ?
K002 N009 N008 K001 54(3) . . . . ?
K002 N009 N008 N1 163.7(5) . . . . ?
K002 N009 N2 N3 -164.4(6) . . . . ?
K003 O004 C006 K003 76.31(4) . . . 7_666 ?
K003 O004 C006 K003 172.37(12) 9_556 . . 7_666 ?
K003 O004 C006 K003 96.06(10) 9_556 . . . ?
K003 O004 C006 K003 -76.31(4) 7_666 . . . ?
K003 O004 C006 O005 -37.8(2) 7_666 . . . ?
K003 O004 C006 O005 134.57(17) 9_556 . . . ?
K003 O004 C006 O005 38.5(2) . . . . ?
K003 O004 C006 C007 -141.60(19) . . . . ?
K003 O004 C006 C007 -45.5(2) 9_556 . . . ?
K003 O004 C006 C007 142.10(19) 7_666 . . . ?
K003 O005 C006 K003 -172.46(12) 8_556 . . 7_666 ?
K003 O005 C006 K003 -76.37(4) . . . 7_666 ?
K003 O005 C006 K003 -96.08(10) 8_556 . . . ?
K003 O005 C006 K003 76.37(4) 7_666 . . . ?
K003 O005 C006 O004 37.8(2) 7_666 . . . ?
K003 O005 C006 O004 -38.5(2) . . . . ?
K003 O005 C006 O004 -134.61(17) 8_556 . . . ?
K003 O005 C006 C007 45.5(2) 8_556 . . . ?
K003 O005 C006 C007 -142.04(19) 7_666 . . . ?
K003 O005 C006 C007 141.58(19) . . . . ?
K003 N5 N4 N6 -158(2) . . . . ?
K003 N5 N8 N9 127(4) . . . . ?
K003 N4 N6 N9 -71(6) . . . . ?
N009 N008 N1 K001 -158.8(5) . . . . ?
N009 N008 N1 N3 0.6(7) . . . . ?
N008 N009 N2 N3 0.0(7) . . . . ?
N008 N1 N3 N2 -0.6(7) . . . . ?
N1 N3 N2 N009 0.4(7) . . . . ?
N2 N009 N008 K001 -110(3) . . . . ?
N2 N009 N008 N1 -0.3(7) . . . . ?
N5 N4 N6 N9 0.0(3) . . . . ?
N5 N8 N9 N6 -0.1(7) . . . . ?
N4 N5 N8 N9 0.0(6) . . . . ?
N4 N6 N9 N8 0.1(6) . . . . ?
N8 N5 N4 K003 158(2) . . . . ?
N8 N5 N4 N6 0.0(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_09302206_0m
_database_code_depnum_ccdc_archive 'CCDC 2208013'
loop_
_audit_author_name
_audit_author_address
'Yuangang Xu'
;Nanjing University of Science and Technology
China
;
_audit_update_record             
;
2022-09-19 deposited with the CCDC.	2024-01-02 downloaded from the CCDC.
;
_audit_creation_date             2021-10-04
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6403)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C12 F18 K8 N10 O12'
_chemical_formula_sum            'C12 F18 K8 N10 O12'
_chemical_formula_weight         1131.02
_chemical_absolute_configuration ?
_chemical_melting_point          ?
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 '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'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           33
_space_group_name_H-M_alt        'P n a 21'
_space_group_name_Hall           'P 2c -2n'
loop_
_space_group_symop_operation_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'

_cell_length_a                   23.7161(16)
_cell_length_b                   7.1980(7)
_cell_length_c                   20.5953(18)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3515.8(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2727
_cell_measurement_temperature    170
_cell_measurement_theta_max      26.18
_cell_measurement_theta_min      3.43
_shelx_estimated_absorpt_T_max   0.945
_shelx_estimated_absorpt_T_min   0.847
_exptl_absorpt_coefficient_mu    1.144
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6394
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0903 before and 0.0693 after correction.
The Ratio of minimum to maximum transmission is 0.8578.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.137
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2208
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0736
_diffrn_reflns_av_unetI/netI     0.0678
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            20259
_diffrn_reflns_point_group_measured_fraction_full 0.823
_diffrn_reflns_point_group_measured_fraction_max 0.803
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.418
_diffrn_reflns_theta_min         1.978
_diffrn_ambient_temperature      170.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_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_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.593
_reflns_Friedel_fraction_full    0.654
_reflns_Friedel_fraction_max     0.616
_reflns_number_gt                3453
_reflns_number_total             5798
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.259
_refine_diff_density_min         -0.533
_refine_diff_density_rms         0.141
_refine_ls_abs_structure_details 
;
 Flack x determined using 984 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.01(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     569
_refine_ls_number_reflns         5798
_refine_ls_number_restraints     56
_refine_ls_R_factor_all          0.1244
_refine_ls_R_factor_gt           0.0728
_refine_ls_restrained_S_all      1.026
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1100P)²+11.5328P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1817
_refine_ls_wR_factor_ref         0.2271
_refine_special_details          ?
_olex2_refinement_description    
;
1. Restrained distances
 C12-C11 = C2-C1 = C4-C3 = C8-C7 = C9-C10 = C6-C5
 1.518 with sigma of 0.0001
 K9-K1
 1.321 with sigma of 0.001
 K2-K10
 1.321 with sigma of 0.001
 K12-K7
 1.321 with sigma of 0.001
 K11-K8
 1.321 with sigma of 0.001
 K4-K13
 1.321 with sigma of 0.001
 K3-K14
 1.321 with sigma of 0.001
 K14-K13
 4.463 with sigma of 0.001
 F16A-C11 = F16-C11
 1.32 with sigma of 0.02
 F16A-F17
 1.86 with sigma of 0.02
 F16A-F18
 2.3 with sigma of 0.02
 K2-K1 \\sim K9-K10
 with sigma of 0.001
 K12-K11 \\sim K8-K7
 with sigma of 0.001
2. Uiso/Uaniso restraints and constraints
F11 \\sim F10 \\sim F12 \\sim C7: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02 within 2A
F16A \\sim C11: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
F16 \\sim C11: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
Uanis(C9) \\sim Ueq, Uanis(C5) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(K9) = Uanis(K1)
Uanis(K10) = Uanis(K2)
Uanis(K11) = Uanis(K8)
Uanis(K12) = Uanis(K7)
Uanis(K4) = Uanis(K13)
Uanis(K3) = Uanis(K14)
3. Others
 Sof(F16A)=1-FVAR(1)
 Sof(F16)=FVAR(1)
 Fixed Sof: K8(0.95) K7(0.95) K4(0.95) K3(0.95) K2(0.95) K1(0.95) K9(0.05)
 K10(0.05) K12(0.05) K11(0.05) K13(0.05) K14(0.05)
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
K5 K 0.37670(10) 1.0116(4) 0.4273(3) 0.0234(6) Uani 1 1 d . . . . .
K6 K 0.37656(11) 1.5140(4) 0.4269(3) 0.0246(6) Uani 1 1 d . . . . .
K8 K 0.54505(12) 0.7866(5) 0.3896(3) 0.0296(8) Uani 0.95 1 d D . P A 1
K7 K 0.48813(13) 1.2857(6) 0.2774(3) 0.0297(8) Uani 0.95 1 d D . P A 1
K4 K 0.26454(13) 0.7832(6) 0.2770(3) 0.0298(8) Uani 0.95 1 d . . P B 1
K3 K 0.20810(12) 0.2867(5) 0.3895(3) 0.0291(8) Uani 0.95 1 d . . P B 1
K2 K 0.43191(13) 0.2895(5) 0.6134(3) 0.0299(8) Uani 0.95 1 d D . P C 1
K1 K 0.31914(12) 0.7869(5) 0.6134(3) 0.0295(8) Uani 0.95 1 d D . P C 1
O3 O 0.4535(4) 1.2684(14) 0.4826(6) 0.030(2) Uani 1 1 d . . . . .
O9 O 0.3000(4) 0.7665(14) 0.4831(6) 0.030(2) Uani 1 1 d . . . . .
O2 O 0.4579(4) 0.7682(14) 0.4757(6) 0.031(3) Uani 1 1 d . . . . .
O11 O 0.2970(4) 0.2691(14) 0.4751(6) 0.031(2) Uani 1 1 d . . . . .
O5 O 0.3803(4) 1.2692(13) 0.3231(6) 0.028(2) Uani 1 1 d . . . . .
O7 O 0.3724(4) 0.7648(14) 0.3220(6) 0.032(3) Uani 1 1 d . . . . .
F15 F 0.1996(4) 0.7580(16) 0.5444(6) 0.059(3) Uani 1 1 d . . . . .
F10 F 0.3746(4) 0.7672(17) 0.1930(5) 0.063(4) Uani 1 1 d . U . . .
F14 F 0.1587(4) 0.675(2) 0.4585(7) 0.085(4) Uani 1 1 d . . . . .
F12 F 0.4583(5) 0.666(2) 0.1918(6) 0.070(3) Uani 1 1 d . U . . .
F7 F 0.3754(4) 1.306(2) 0.1956(5) 0.069(4) Uani 1 1 d . . . . .
F4 F 0.5522(4) 1.2994(19) 0.5427(6) 0.066(3) Uani 1 1 d . . . . .
O8 O 0.4597(4) 0.6395(16) 0.3200(6) 0.043(3) Uani 1 1 d . . . . .
F18 F 0.2030(4) 0.3074(19) 0.5426(6) 0.070(4) Uani 1 1 d D . . . .
O1 O 0.4156(4) 0.6385(16) 0.5609(6) 0.043(3) Uani 1 1 d . . . . .
F6 F 0.5925(5) 1.152(2) 0.4661(7) 0.088(5) Uani 1 1 d . . . . .
F9 F 0.3032(5) 1.137(2) 0.1941(6) 0.080(4) Uani 1 1 d . . . . .
F3 F 0.5527(4) 0.7749(18) 0.5453(6) 0.068(4) Uani 1 1 d . . . . .
O12 O 0.3385(4) 0.1376(17) 0.5592(6) 0.044(3) Uani 1 1 d . . . . .
O4 O 0.4975(4) 1.1404(17) 0.3980(6) 0.045(3) Uani 1 1 d . . . . .
F1 F 0.5097(5) 0.668(2) 0.6269(7) 0.089(5) Uani 1 1 d . . . . .
O6 O 0.2963(4) 1.1326(17) 0.3223(6) 0.044(3) Uani 1 1 d . . . . .
O10 O 0.2562(4) 0.6400(17) 0.3985(6) 0.046(3) Uani 1 1 d . . . . .
F17 F 0.2363(4) 0.129(2) 0.6141(7) 0.086(4) Uani 1 1 d D . . . .
F2 F 0.4974(5) 0.9492(18) 0.6007(7) 0.080(4) Uani 1 1 d . . . . .
F13 F 0.1879(4) 0.9546(15) 0.4669(7) 0.072(4) Uani 1 1 d . . . . .
F11 F 0.4439(5) 0.945(2) 0.2178(6) 0.082(4) Uani 1 1 d . U . . .
F16 F 0.2628(7) 0.424(3) 0.6086(14) 0.062(7) Uani 0.73(6) 1 d D U P D 1
F8 F 0.2945(5) 1.414(2) 0.2199(7) 0.087(4) Uani 1 1 d . . . . .
C9 C 0.2574(2) 0.7287(17) 0.4506(4) 0.025(3) Uani 1 1 d D U . . .
F5 F 0.5722(4) 1.4370(18) 0.4543(7) 0.078(4) Uani 1 1 d . . . . .
C8 C 0.4181(5) 0.7313(17) 0.29589(15) 0.024(3) Uani 1 1 d D . . . .
C5 C 0.3355(5) 1.2258(16) 0.29779(16) 0.023(3) Uani 1 1 d D U . . .
C3 C 0.49513(19) 1.2303(17) 0.4511(4) 0.024(3) Uani 1 1 d D . . . .
N6 N 0.3955(7) 0.021(2) 0.7103(8) 0.049(4) Uani 1 1 d . . . . .
C10 C 0.2003(2) 0.7715(18) 0.4804(4) 0.033(4) Uani 1 1 d D . . . .
C2 C 0.4537(2) 0.7331(17) 0.5340(3) 0.027(3) Uani 1 1 d D . . . .
N1 N 0.3676(6) 0.530(2) 0.7081(8) 0.048(4) Uani 1 1 d . . . . .
C12 C 0.2991(2) 0.2279(17) 0.5325(3) 0.024(3) Uani 1 1 d D . . . .
C7 C 0.4227(7) 0.769(2) 0.22358(15) 0.044(4) Uani 1 1 d D U . . .
N9 N 0.3321(6) 0.022(2) 0.7809(9) 0.052(4) Uani 1 1 d . . . . .
C6 C 0.3278(6) 1.2699(18) 0.22626(16) 0.035(4) Uani 1 1 d D . . . .
C4 C 0.5526(2) 1.2732(18) 0.4799(5) 0.033(4) Uani 1 1 d D . . . .
N2 N 0.4133(5) 0.491(2) 0.7394(9) 0.052(4) Uani 1 1 d . . . . .
C11 C 0.2494(2) 0.2677(18) 0.5767(3) 0.035(4) Uani 1 1 d D U . . .
N10 N 0.3431(6) 0.042(3) 0.7201(9) 0.061(5) Uani 1 1 d . . . . .
C1 C 0.5045(2) 0.7745(19) 0.5765(3) 0.033(4) Uani 1 1 d D . . . .
N4 N 0.3463(6) 0.509(2) 0.8065(8) 0.057(4) Uani 1 1 d . . . . .
N5 N 0.3273(6) 0.540(3) 0.7495(9) 0.062(5) Uani 1 1 d . . . . .
N7 N 0.4199(5) -0.023(2) 0.7647(9) 0.053(4) Uani 1 1 d . . . . .
N3 N 0.3995(7) 0.475(2) 0.8015(8) 0.057(4) Uani 1 1 d . . . . .
N8 N 0.3801(5) -0.019(2) 0.8097(7) 0.048(4) Uani 1 1 d . . . . .
K9 K 0.3186(19) 0.676(6) 0.615(4) 0.0295(8) Uani 0.05 1 d D . P C 2
K10 K 0.4308(19) 0.177(6) 0.613(4) 0.0299(8) Uani 0.05 1 d D . P C 2
K12 K 0.486(2) 1.172(6) 0.276(3) 0.0297(8) Uani 0.05 1 d D . P A 2
K11 K 0.540(2) 0.674(6) 0.391(3) 0.0296(8) Uani 0.05 1 d D . P A 2
K13 K 0.259(2) 0.674(6) 0.278(3) 0.0298(8) Uani 0.05 1 d D . P B 2
K14 K 0.206(2) 0.175(6) 0.391(3) 0.0291(8) Uani 0.05 1 d D . P B 2
F16A F 0.253(2) 0.372(4) 0.6317(16) 0.046(8) Uani 0.27(6) 1 d D U P D 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
K5 K6 3.616(5) . ?
K5 K6 3.582(5) 1_545 ?
K5 O3 2.834(10) . ?
K5 O9 2.784(10) . ?
K5 O2 2.789(10) . ?
K5 O11 2.825(10) 1_565 ?
K5 O5 2.837(11) . ?
K5 O7 2.805(11) . ?
K5 O12 3.005(12) 1_565 ?
K5 O4 3.071(11) . ?
K5 O6 3.012(11) . ?
K5 C12 3.242(8) 1_565 ?
K6 O3 2.787(10) . ?
K6 O9 2.819(10) 1_565 ?
K6 O2 2.844(11) 1_565 ?
K6 O11 2.767(11) 1_565 ?
K6 O5 2.771(11) . ?
K6 O7 2.817(11) 1_565 ?
K6 O8 3.090(11) 1_565 ?
K6 O1 3.046(12) 1_565 ?
K6 O10 3.052(11) 1_565 ?
K6 C9 3.259(7) 1_565 ?
K6 C8 3.270(9) 1_565 ?
K6 C2 3.271(8) 1_565 ?
K8 K7 4.491(6) 1_545 ?
K8 K7 4.480(5) . ?
K8 O2 2.726(11) . ?
K8 F14 3.057(12) 3_565 ?
K8 O8 2.698(11) . ?
K8 O4 2.791(12) . ?
K8 F5 2.920(13) 1_545 ?
K8 N7 3.196(18) 2_664 ?
K8 N3 2.928(15) 2_664 ?
K8 N8 2.942(14) 2_664 ?
K7 O5 2.728(10) . ?
K7 F12 3.334(14) 1_565 ?
K7 O8 2.776(12) 1_565 ?
K7 O4 2.705(12) . ?
K7 F1 3.118(14) 2_674 ?
K7 N2 2.941(16) 2_674 ?
K7 N7 2.897(15) 2_664 ?
K7 N3 3.210(17) 2_674 ?
K4 K3 4.464(5) . ?
K4 K3 4.505(5) 1_565 ?
K4 O7 2.724(9) . ?
K4 O6 2.786(13) . ?
K4 O10 2.713(12) . ?
K4 F8 2.992(15) 1_545 ?
K4 N9 2.963(16) 4_554 ?
K4 N10 3.302(18) 4_554 ?
K4 N4 3.148(16) 4_554 ?
K4 N5 2.910(16) 4_554 ?
K3 O11 2.751(11) . ?
K3 F6 3.194(14) 3_465 ?
K3 O6 2.742(11) 1_545 ?
K3 O10 2.793(12) . ?
K3 F13 2.914(12) 1_545 ?
K3 N9 2.964(17) 4_554 ?
K3 N4 2.931(17) 4_544 ?
K3 N8 3.006(15) 4_554 ?
K2 K1 4.469(5) . ?
K2 K1 4.499(5) 1_545 ?
K2 O3 2.745(11) 1_545 ?
K2 F12 3.082(11) 2_665 ?
K2 F4 3.204(11) 1_545 ?
K2 O1 2.762(12) . ?
K2 O12 2.711(11) . ?
K2 F2 2.912(13) 1_545 ?
K2 N6 2.908(15) . ?
K2 N1 3.021(16) . ?
K1 O9 2.725(11) . ?
K1 O1 2.747(11) . ?
K1 O12 2.798(13) 1_565 ?
K1 F17 3.150(14) 1_565 ?
K1 N6 3.180(17) 1_565 ?
K1 N1 2.923(16) . ?
K1 N10 2.920(17) 1_565 ?
O3 C3 1.214(12) . ?
O3 K10 2.83(8) 1_565 ?
O9 C9 1.242(12) . ?
O9 K9 2.82(8) . ?
O2 C2 1.231(13) . ?
O2 K11 2.70(6) . ?
O11 C12 1.221(13) . ?
O11 K14 2.85(6) . ?
O5 C5 1.224(14) . ?
O5 K12 2.77(6) . ?
O7 C8 1.234(14) . ?
O7 K13 2.92(6) . ?
F15 C10 1.321(15) . ?
F10 C7 1.304(17) . ?
F14 C10 1.288(14) . ?
F14 K11 3.32(6) 3_465 ?
F12 C7 1.297(17) . ?
F12 K10 3.29(6) 2_664 ?
F7 C6 1.321(15) . ?
F4 C4 1.306(14) . ?
F4 K10 3.35(6) 1_565 ?
O8 C8 1.286(15) . ?
O8 K11 2.41(6) . ?
F18 C11 1.337(12) . ?
O1 C2 1.259(13) . ?
O1 K9 2.57(5) . ?
F6 C4 1.319(14) . ?
F6 K14 3.34(6) 3_565 ?
F9 C6 1.300(16) . ?
F9 K9 3.33(6) 4_554 ?
F3 C1 1.313(12) . ?
O12 C12 1.263(13) . ?
O12 K10 2.47(6) . ?
O4 C3 1.271(15) . ?
O4 K12 2.53(6) . ?
F1 C1 1.296(16) . ?
F1 K12 3.29(5) 2_675 ?
O6 C5 1.252(14) . ?
O6 K14 2.59(6) 1_565 ?
O10 C9 1.249(15) . ?
O10 K13 2.49(6) . ?
F17 C11 1.299(17) . ?
F17 K13 3.40(6) 4_545 ?
F2 C1 1.363(16) . ?
F2 K10 2.29(4) 1_565 ?
F13 C10 1.379(15) . ?
F13 K14 2.26(4) 1_565 ?
F11 C7 1.370(18) . ?
F16 C11 1.344(17) . ?
F8 C6 1.309(17) . ?
F8 K13 2.38(6) 1_565 ?
C9 C10 1.51800(17) . ?
F5 C4 1.373(16) . ?
F5 K11 2.28(4) 1_565 ?
C8 C7 1.5180(2) . ?
C5 C6 1.51800(19) . ?
C3 C4 1.5180(2) . ?
N6 N10 1.27(2) . ?
N6 N7 1.30(2) . ?
N6 K10 2.44(7) . ?
N6 K12 3.42(6) 2_665 ?
C10 K14 3.44(4) 1_565 ?
C2 C1 1.51800(18) . ?
N1 N2 1.29(2) . ?
N1 N5 1.28(2) . ?
N1 K9 2.48(7) . ?
C12 C11 1.51800(16) . ?
C7 K12 3.44(6) . ?
N9 N10 1.29(2) . ?
N9 N8 1.317(19) . ?
N9 K13 2.42(6) 4_545 ?
C6 K13 3.50(6) 1_565 ?
C4 K11 3.43(4) 1_565 ?
N2 N3 1.33(2) . ?
C11 F16A 1.36(2) . ?
N10 K9 3.47(6) 1_545 ?
N10 K13 2.86(6) 4_545 ?
C1 K10 3.47(4) 1_565 ?
N4 N5 1.28(2) . ?
N4 N3 1.29(2) . ?
N4 K11 3.47(6) 2_665 ?
N4 K14 2.45(6) 4 ?
N5 K13 3.38(5) 4_545 ?
N5 K14 3.17(6) 4 ?
N7 N8 1.32(2) . ?
N7 K12 2.49(5) 2_665 ?
N3 K11 2.57(6) 2_665 ?
N3 K14 3.42(6) 4 ?
N8 K12 3.44(5) 2_665 ?
N8 K14 3.44(5) 4_545 ?
K9 K10 4.469(5) . ?
K9 K10 4.48(7) 1_565 ?
K10 K12 4.64(8) 2_665 ?
K12 K11 4.480(6) . ?
K12 K11 4.50(8) 1_565 ?
K11 K14 4.66(7) 3 ?
K13 K14 4.47(8) 1_565 ?
K13 K14 4.4630(14) . ?
K13 F16A 3.35(6) 4_554 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
K6 K5 K6 179.72(13) 1_545 . ?
O3 K5 K6 49.4(2) . . ?
O3 K5 K6 130.8(2) . 1_545 ?
O3 K5 O5 81.9(3) . . ?
O3 K5 O12 68.5(3) . 1_565 ?
O3 K5 O4 44.2(3) . . ?
O3 K5 O6 120.5(3) . . ?
O3 K5 C12 77.4(3) . 1_565 ?
O9 K5 K6 50.7(2) . 1_545 ?
O9 K5 K6 129.4(2) . . ?
O9 K5 O3 131.8(3) . . ?
O9 K5 O2 84.6(3) . . ?
O9 K5 O11 80.5(3) . 1_565 ?
O9 K5 O5 138.3(3) . . ?
O9 K5 O7 83.9(3) . . ?
O9 K5 O12 67.7(3) . 1_565 ?
O9 K5 O4 151.9(3) . . ?
O9 K5 O6 93.8(3) . . ?
O9 K5 C12 69.9(3) . 1_565 ?
O2 K5 K6 129.0(2) . . ?
O2 K5 K6 51.2(2) . 1_545 ?
O2 K5 O3 79.7(3) . . ?
O2 K5 O11 138.6(3) . 1_565 ?
O2 K5 O5 131.3(3) . . ?
O2 K5 O7 84.5(3) . . ?
O2 K5 O12 94.3(3) . 1_565 ?
O2 K5 O4 67.4(3) . . ?
O2 K5 O6 151.2(3) . . ?
O2 K5 C12 117.0(3) . 1_565 ?
O11 K5 K6 49.0(2) 1_565 . ?
O11 K5 K6 131.0(2) 1_565 1_545 ?
O11 K5 O3 82.1(3) 1_565 . ?
O11 K5 O5 81.7(3) 1_565 . ?
O11 K5 O12 44.3(3) 1_565 1_565 ?
O11 K5 O4 119.7(3) 1_565 . ?
O11 K5 O6 68.7(3) 1_565 . ?
O11 K5 C12 21.9(3) 1_565 1_565 ?
O5 K5 K6 49.1(2) . . ?
O5 K5 K6 130.7(2) . 1_545 ?
O5 K5 O12 119.7(3) . 1_565 ?
O5 K5 O4 68.1(3) . . ?
O5 K5 O6 44.5(3) . . ?
O5 K5 C12 102.1(3) . 1_565 ?
O7 K5 K6 129.2(2) . . ?
O7 K5 K6 50.6(2) . 1_545 ?
O7 K5 O3 138.4(3) . . ?
O7 K5 O11 131.3(3) . 1_565 ?
O7 K5 O5 80.2(3) . . ?
O7 K5 O12 151.6(3) . 1_565 ?
O7 K5 O4 94.2(3) . . ?
O7 K5 O6 66.7(3) . . ?
O7 K5 C12 143.2(2) . 1_565 ?
O12 K5 K6 107.7(2) 1_565 1_545 ?
O12 K5 K6 72.5(2) 1_565 . ?
O12 K5 O4 111.6(3) 1_565 . ?
O12 K5 O6 111.8(3) 1_565 . ?
O12 K5 C12 22.9(2) 1_565 1_565 ?
O4 K5 K6 107.6(2) . 1_545 ?
O4 K5 K6 72.5(2) . . ?
O4 K5 C12 121.0(3) . 1_565 ?
O6 K5 K6 106.7(3) . 1_545 ?
O6 K5 K6 73.1(2) . . ?
O6 K5 O4 111.3(3) . . ?
O6 K5 C12 89.0(3) . 1_565 ?
C12 K5 K6 61.4(2) 1_565 . ?
C12 K5 K6 118.8(2) 1_565 1_545 ?
O3 K6 O9 131.4(3) . 1_565 ?
O3 K6 O2 79.5(3) . 1_565 ?
O3 K6 O7 138.2(3) . 1_565 ?
O3 K6 O8 93.5(3) . 1_565 ?
O3 K6 O1 67.3(3) . 1_565 ?
O3 K6 O10 151.6(3) . 1_565 ?
O3 K6 C9 143.8(3) . 1_565 ?
O3 K6 C8 116.5(3) . 1_565 ?
O3 K6 C2 70.3(3) . 1_565 ?
O9 K6 O2 82.9(3) 1_565 1_565 ?
O9 K6 O8 121.0(3) 1_565 1_565 ?
O9 K6 O1 68.5(3) 1_565 1_565 ?
O9 K6 O10 44.3(3) 1_565 1_565 ?
O9 K6 C9 22.1(3) 1_565 1_565 ?
O9 K6 C8 103.0(3) 1_565 1_565 ?
O9 K6 C2 76.8(3) 1_565 1_565 ?
O2 K6 O8 68.4(3) 1_565 1_565 ?
O2 K6 O1 44.2(3) 1_565 1_565 ?
O2 K6 O10 120.8(3) 1_565 1_565 ?
O2 K6 C9 103.3(3) 1_565 1_565 ?
O2 K6 C8 77.3(3) 1_565 1_565 ?
O2 K6 C2 21.8(3) 1_565 1_565 ?
O11 K6 O3 83.9(3) 1_565 . ?
O11 K6 O9 79.8(3) 1_565 1_565 ?
O11 K6 O2 138.2(3) 1_565 1_565 ?
O11 K6 O5 83.9(3) 1_565 . ?
O11 K6 O7 131.3(3) 1_565 1_565 ?
O11 K6 O8 151.3(3) 1_565 1_565 ?
O11 K6 O1 94.0(3) 1_565 1_565 ?
O11 K6 O10 67.7(3) 1_565 1_565 ?
O11 K6 C9 69.9(3) 1_565 1_565 ?
O11 K6 C8 143.7(3) 1_565 1_565 ?
O11 K6 C2 116.5(3) 1_565 1_565 ?
O5 K6 O3 83.9(3) . . ?
O5 K6 O9 138.4(3) . 1_565 ?
O5 K6 O2 131.3(3) . 1_565 ?
O5 K6 O7 79.5(3) . 1_565 ?
O5 K6 O8 67.4(3) . 1_565 ?
O5 K6 O1 151.2(3) . 1_565 ?
O5 K6 O10 94.1(3) . 1_565 ?
O5 K6 C9 116.4(3) . 1_565 ?
O5 K6 C8 70.0(3) . 1_565 ?
O5 K6 C2 144.0(2) . 1_565 ?
O7 K6 O9 83.1(3) 1_565 1_565 ?
O7 K6 O2 83.3(3) 1_565 1_565 ?
O7 K6 O8 44.7(3) 1_565 1_565 ?
O7 K6 O1 121.1(3) 1_565 1_565 ?
O7 K6 O10 68.3(3) 1_565 1_565 ?
O7 K6 C9 77.3(3) 1_565 1_565 ?
O7 K6 C8 21.8(3) 1_565 1_565 ?
O7 K6 C2 103.2(3) 1_565 1_565 ?
O8 K6 C9 121.4(3) 1_565 1_565 ?
O8 K6 C8 23.1(3) 1_565 1_565 ?
O8 K6 C2 89.0(3) 1_565 1_565 ?
O1 K6 O8 111.4(3) 1_565 1_565 ?
O1 K6 O10 111.8(3) 1_565 1_565 ?
O1 K6 C9 89.3(3) 1_565 1_565 ?
O1 K6 C8 121.0(3) 1_565 1_565 ?
O1 K6 C2 22.6(2) 1_565 1_565 ?
O10 K6 O8 111.9(3) 1_565 1_565 ?
O10 K6 C9 22.5(3) 1_565 1_565 ?
O10 K6 C8 88.9(3) 1_565 1_565 ?
O10 K6 C2 120.6(3) 1_565 1_565 ?
C9 K6 C8 99.1(3) 1_565 1_565 ?
C9 K6 C2 98.9(2) 1_565 1_565 ?
C8 K6 C2 99.1(3) 1_565 1_565 ?
K5 K8 K6 47.46(7) . 1_545 ?
K5 K8 K7 96.54(8) . 1_545 ?
K5 K8 K7 61.30(7) . . ?
K7 K8 K6 99.75(8) . 1_545 ?
K7 K8 K6 58.17(7) 1_545 1_545 ?
K7 K8 K7 106.71(10) . 1_545 ?
O2 K8 K5 38.0(2) . . ?
O2 K8 K6 36.7(2) . 1_545 ?
O2 K8 K7 93.9(2) . 1_545 ?
O2 K8 K7 98.4(2) . . ?
O2 K8 F14 111.8(3) . 3_565 ?
O2 K8 O4 72.4(3) . . ?
O2 K8 F5 80.1(3) . 1_545 ?
O2 K8 N7 138.3(3) . 2_664 ?
O2 K8 N3 135.4(4) . 2_664 ?
O2 K8 N8 148.1(4) . 2_664 ?
F14 K8 K5 133.5(3) 3_565 . ?
F14 K8 K6 137.7(3) 3_565 1_545 ?
F14 K8 K7 125.2(3) 3_565 1_545 ?
F14 K8 K7 115.6(3) 3_565 . ?
F14 K8 N7 95.5(4) 3_565 2_664 ?
O8 K8 K5 63.6(2) . . ?
O8 K8 K6 41.9(2) . 1_545 ?
O8 K8 K7 35.5(2) . 1_545 ?
O8 K8 K7 79.3(3) . . ?
O8 K8 O2 76.0(3) . . ?
O8 K8 F14 160.6(4) . 3_565 ?
O8 K8 O4 95.0(3) . . ?
O8 K8 F5 94.0(3) . 1_545 ?
O8 K8 N7 88.6(4) . 2_664 ?
O8 K8 N3 75.8(4) . 2_664 ?
O8 K8 N8 112.2(4) . 2_664 ?
O4 K8 K5 44.2(2) . . ?
O4 K8 K6 91.6(2) . 1_545 ?
O4 K8 K7 34.7(2) . . ?
O4 K8 K7 130.0(3) . 1_545 ?
O4 K8 F14 104.2(4) . 3_565 ?
O4 K8 F5 148.0(4) . 1_545 ?
O4 K8 N7 70.6(4) . 2_664 ?
O4 K8 N3 143.8(4) . 2_664 ?
O4 K8 N8 76.1(4) . 2_664 ?
F5 K8 K5 116.1(2) 1_545 . ?
F5 K8 K6 75.1(2) 1_545 1_545 ?
F5 K8 K7 173.3(2) 1_545 . ?
F5 K8 K7 67.0(3) 1_545 1_545 ?
F5 K8 F14 70.8(3) 1_545 3_565 ?
F5 K8 N7 140.3(4) 1_545 2_664 ?
F5 K8 N3 68.2(4) 1_545 2_664 ?
F5 K8 N8 127.7(4) 1_545 2_664 ?
N7 K8 K5 100.5(3) 2_664 . ?
N7 K8 K6 126.7(3) 2_664 1_545 ?
N7 K8 K7 95.3(3) 2_664 1_545 ?
N7 K8 K7 40.1(3) 2_664 . ?
N3 K8 K5 139.2(4) 2_664 . ?
N3 K8 K6 102.9(3) 2_664 1_545 ?
N3 K8 K7 109.4(3) 2_664 . ?
N3 K8 K7 45.5(3) 2_664 1_545 ?
N3 K8 F14 87.1(4) 2_664 3_565 ?
N3 K8 N7 74.2(4) 2_664 2_664 ?
N3 K8 N8 75.4(4) 2_664 2_664 ?
N8 K8 K5 116.1(3) 2_664 . ?
N8 K8 K6 151.1(3) 2_664 1_545 ?
N8 K8 K7 55.8(3) 2_664 . ?
N8 K8 K7 110.4(3) 2_664 1_545 ?
N8 K8 F14 71.1(4) 2_664 3_565 ?
N8 K8 N7 24.4(4) 2_664 2_664 ?
K6 K7 K5 47.94(7) . . ?
K6 K7 K8 61.22(7) . 1_565 ?
K6 K7 K8 96.91(9) . . ?
K8 K7 K5 58.23(7) . . ?
K8 K7 K5 100.07(9) 1_565 . ?
K8 K7 K8 106.71(10) . 1_565 ?
O5 K7 K5 36.6(2) . . ?
O5 K7 K6 37.6(2) . . ?
O5 K7 K8 94.0(2) . . ?
O5 K7 K8 98.0(2) . 1_565 ?
O5 K7 F12 91.1(3) . 1_565 ?
O5 K7 O8 72.7(3) . 1_565 ?
O5 K7 F1 111.3(3) . 2_674 ?
O5 K7 N2 149.4(4) . 2_674 ?
O5 K7 N7 135.1(4) . 2_664 ?
O5 K7 N3 138.4(4) . 2_674 ?
F12 K7 K5 126.6(2) 1_565 . ?
F12 K7 K6 86.26(19) 1_565 . ?
F12 K7 K8 71.1(2) 1_565 1_565 ?
F12 K7 K8 174.7(2) 1_565 . ?
O8 K7 K5 92.4(2) 1_565 . ?
O8 K7 K6 44.5(2) 1_565 . ?
O8 K7 K8 130.2(3) 1_565 . ?
O8 K7 K8 34.3(2) 1_565 1_565 ?
O8 K7 F12 50.3(3) 1_565 1_565 ?
O8 K7 F1 102.7(4) 1_565 2_674 ?
O8 K7 N2 77.1(4) 1_565 2_674 ?
O8 K7 N7 144.0(4) 1_565 2_664 ?
O8 K7 N3 70.2(4) 1_565 2_674 ?
O4 K7 K5 41.5(2) . . ?
O4 K7 K6 63.2(2) . . ?
O4 K7 K8 36.0(3) . . ?
O4 K7 K8 79.2(3) . 1_565 ?
O4 K7 O5 75.1(3) . . ?
O4 K7 F12 145.2(3) . 1_565 ?
O4 K7 O8 94.9(4) . 1_565 ?
O4 K7 F1 162.4(4) . 2_674 ?
O4 K7 N2 113.0(4) . 2_674 ?
O4 K7 N7 76.6(4) . 2_664 ?
O4 K7 N3 89.8(4) . 2_674 ?
F1 K7 K5 137.4(3) 2_674 . ?
F1 K7 K6 132.0(3) 2_674 . ?
F1 K7 K8 114.9(3) 2_674 1_565 ?
F1 K7 K8 126.4(3) 2_674 . ?
F1 K7 F12 52.4(3) 2_674 1_565 ?
F1 K7 N3 94.7(4) 2_674 2_674 ?
N2 K7 K5 152.3(3) 2_674 . ?
N2 K7 K6 117.5(4) 2_674 . ?
N2 K7 K8 109.6(3) 2_674 . ?
N2 K7 K8 57.3(3) 2_674 1_565 ?
N2 K7 F12 65.1(4) 2_674 1_565 ?
N2 K7 F1 70.3(4) 2_674 2_674 ?
N2 K7 N3 24.4(4) 2_674 2_674 ?
N7 K7 K5 102.5(3) 2_664 . ?
N7 K7 K6 139.7(4) 2_664 . ?
N7 K7 K8 45.3(4) 2_664 . ?
N7 K7 K8 110.1(3) 2_664 1_565 ?
N7 K7 F12 130.4(4) 2_664 1_565 ?
N7 K7 F1 88.1(4) 2_664 2_674 ?
N7 K7 N2 74.5(4) 2_664 2_674 ?
N7 K7 N3 74.8(4) 2_664 2_674 ?
N3 K7 K5 127.9(3) 2_674 . ?
N3 K7 K6 101.0(3) 2_674 . ?
N3 K7 K8 95.7(3) 2_674 . ?
N3 K7 K8 40.6(3) 2_674 1_565 ?
N3 K7 F12 79.5(4) 2_674 1_565 ?
K5 K4 K6 47.39(7) . 1_545 ?
K5 K4 K3 96.63(9) . . ?
K5 K4 K3 61.14(7) . 1_565 ?
K3 K4 K6 58.50(7) . 1_545 ?
K3 K4 K6 99.71(9) 1_565 1_545 ?
K3 K4 K3 106.74(10) . 1_565 ?
O7 K4 K5 37.9(2) . . ?
O7 K4 K6 36.2(2) . 1_545 ?
O7 K4 K3 98.2(2) . 1_565 ?
O7 K4 K3 93.8(2) . . ?
O7 K4 O6 71.1(3) . . ?
O7 K4 F8 82.4(3) . 1_545 ?
O7 K4 N9 133.3(4) . 4_554 ?
O7 K4 N10 145.2(4) . 4_554 ?
O7 K4 N4 138.0(4) . 4_554 ?
O7 K4 N5 143.1(5) . 4_554 ?
O6 K4 K5 42.6(2) . . ?
O6 K4 K6 90.0(2) . 1_545 ?
O6 K4 K3 35.1(2) . 1_565 ?
O6 K4 K3 129.0(3) . . ?
O6 K4 F8 150.4(3) . 1_545 ?
O6 K4 N9 140.5(4) . 4_554 ?
O6 K4 N10 143.3(4) . 4_554 ?
O6 K4 N4 72.3(4) . 4_554 ?
O6 K4 N5 72.2(4) . 4_554 ?
O10 K4 K5 62.4(2) . . ?
O10 K4 K6 41.3(2) . 1_545 ?
O10 K4 K3 79.0(3) . 1_565 ?
O10 K4 K3 36.4(3) . . ?
O10 K4 O7 74.7(3) . . ?
O10 K4 O6 93.1(4) . . ?
O10 K4 F8 92.4(4) . 1_545 ?
O10 K4 N9 71.2(4) . 4_554 ?
O10 K4 N10 94.1(4) . 4_554 ?
O10 K4 N4 87.5(4) . 4_554 ?
O10 K4 N5 111.4(4) . 4_554 ?
F8 K4 K5 117.7(3) 1_545 . ?
F8 K4 K6 75.4(2) 1_545 1_545 ?
F8 K4 K3 64.1(3) 1_545 . ?
F8 K4 K3 170.9(3) 1_545 1_565 ?
F8 K4 N10 65.0(4) 1_545 4_554 ?
F8 K4 N4 137.0(4) 1_545 4_554 ?
N9 K4 K5 133.2(3) 4_554 . ?
N9 K4 K6 99.5(3) 4_554 1_545 ?
N9 K4 K3 105.4(3) 4_554 1_565 ?
N9 K4 K3 41.1(3) 4_554 . ?
N9 K4 F8 68.4(4) 4_554 1_545 ?
N9 K4 N10 22.9(4) 4_554 4_554 ?
N9 K4 N4 71.1(5) 4_554 4_554 ?
N10 K4 K5 156.0(3) 4_554 . ?
N10 K4 K6 118.2(3) 4_554 1_545 ?
N10 K4 K3 112.1(3) 4_554 1_565 ?
N10 K4 K3 62.1(3) 4_554 . ?
N4 K4 K5 100.2(3) 4_554 . ?
N4 K4 K6 125.5(3) 4_554 1_545 ?
N4 K4 K3 93.6(3) 4_554 . ?
N4 K4 K3 40.4(3) 4_554 1_565 ?
N4 K4 N10 72.2(4) 4_554 4_554 ?
N5 K4 K5 110.6(4) 4_554 . ?
N5 K4 K6 147.8(4) 4_554 1_545 ?
N5 K4 K3 112.6(3) 4_554 . ?
N5 K4 K3 50.7(4) 4_554 1_565 ?
N5 K4 F8 131.7(5) 4_554 1_545 ?
N5 K4 N9 80.1(5) 4_554 4_554 ?
N5 K4 N10 71.7(5) 4_554 4_554 ?
N5 K4 N4 23.9(4) 4_554 4_554 ?
K6 K3 K5 47.83(7) 1_545 1_545 ?
K6 K3 K4 61.27(7) 1_545 . ?
K6 K3 K4 96.88(8) 1_545 1_545 ?
K4 K3 K5 58.28(7) 1_545 1_545 ?
K4 K3 K5 100.05(8) . 1_545 ?
K4 K3 K4 106.74(10) . 1_545 ?
O11 K3 K5 36.2(2) . 1_545 ?
O11 K3 K6 37.5(2) . 1_545 ?
O11 K3 K4 93.7(2) . 1_545 ?
O11 K3 K4 98.0(2) . . ?
O11 K3 F6 110.3(3) . 3_465 ?
O11 K3 O10 71.7(3) . . ?
O11 K3 F13 74.8(3) . 1_545 ?
O11 K3 N9 139.1(4) . 4_554 ?
O11 K3 N4 132.8(4) . 4_544 ?
O11 K3 N8 154.8(4) . 4_554 ?
F6 K3 K5 137.1(3) 3_465 1_545 ?
F6 K3 K6 130.1(2) 3_465 1_545 ?
F6 K3 K4 128.3(3) 3_465 1_545 ?
F6 K3 K4 113.8(3) 3_465 . ?
O6 K3 K5 40.2(2) 1_545 1_545 ?
O6 K3 K6 62.9(2) 1_545 1_545 ?
O6 K3 K4 35.7(2) 1_545 1_545 ?
O6 K3 K4 80.4(3) 1_545 . ?
O6 K3 O11 73.8(3) 1_545 . ?
O6 K3 F6 163.7(4) 1_545 3_465 ?
O6 K3 O10 95.2(3) 1_545 . ?
O6 K3 F13 94.0(3) 1_545 1_545 ?
O6 K3 N9 95.5(4) 1_545 4_554 ?
O6 K3 N4 76.4(4) 1_545 4_544 ?
O6 K3 N8 116.3(4) 1_545 4_554 ?
O10 K3 K5 91.5(2) . 1_545 ?
O10 K3 K6 43.7(2) . 1_545 ?
O10 K3 K4 35.2(2) . . ?
O10 K3 K4 130.2(2) . 1_545 ?
O10 K3 F6 101.1(4) . 3_465 ?
O10 K3 F13 141.1(4) . 1_545 ?
O10 K3 N9 70.1(4) . 4_554 ?
O10 K3 N4 147.2(4) . 4_544 ?
O10 K3 N8 84.0(4) . 4_554 ?
F13 K3 K5 72.1(2) 1_545 1_545 ?
F13 K3 K6 111.1(2) 1_545 1_545 ?
F13 K3 K4 70.8(2) 1_545 1_545 ?
F13 K3 K4 172.0(2) 1_545 . ?
F13 K3 F6 72.6(3) 1_545 3_465 ?
F13 K3 N9 146.1(4) 1_545 4_554 ?
F13 K3 N4 71.7(4) 1_545 4_544 ?
F13 K3 N8 124.5(4) 1_545 4_554 ?
N9 K3 K5 131.6(3) 4_554 1_545 ?
N9 K3 K6 102.2(3) 4_554 1_545 ?
N9 K3 K4 41.1(3) 4_554 . ?
N9 K3 K4 99.7(3) 4_554 1_545 ?
N9 K3 F6 91.0(4) 4_554 3_465 ?
N9 K3 N8 25.5(4) 4_554 4_554 ?
N4 K3 K5 101.0(3) 4_544 1_545 ?
N4 K3 K6 139.3(3) 4_544 1_545 ?
N4 K3 K4 112.1(4) 4_544 . ?
N4 K3 K4 44.1(3) 4_544 1_545 ?
N4 K3 F6 90.3(4) 4_544 3_465 ?
N4 K3 N9 79.0(4) 4_544 4_554 ?
N4 K3 N8 72.1(4) 4_544 4_554 ?
N8 K3 K5 155.8(3) 4_554 1_545 ?
N8 K3 K6 123.8(3) 4_554 1_545 ?
N8 K3 K4 63.4(3) 4_554 . ?
N8 K3 K4 107.5(3) 4_554 1_545 ?
N8 K3 F6 67.0(3) 4_554 3_465 ?
K6 K2 K5 47.99(8) 1_545 1_545 ?
K6 K2 K1 61.58(8) 1_545 . ?
K6 K2 K1 96.83(9) 1_545 1_545 ?
K1 K2 K5 100.46(9) . 1_545 ?
K1 K2 K5 58.11(8) 1_545 1_545 ?
K1 K2 K1 106.77(9) . 1_545 ?
O3 K2 K5 36.6(2) 1_545 1_545 ?
O3 K2 K6 38.2(2) 1_545 1_545 ?
O3 K2 K1 99.0(2) 1_545 . ?
O3 K2 K1 93.8(2) 1_545 1_545 ?
O3 K2 F12 111.3(3) 1_545 2_665 ?
O3 K2 F4 52.4(3) 1_545 1_545 ?
O3 K2 O1 72.1(3) 1_545 . ?
O3 K2 F2 76.5(3) 1_545 1_545 ?
O3 K2 N6 133.8(4) 1_545 . ?
O3 K2 N1 139.4(4) 1_545 . ?
F12 K2 K5 137.4(2) 2_665 1_545 ?
F12 K2 K6 132.6(3) 2_665 1_545 ?
F12 K2 K1 125.8(3) 2_665 1_545 ?
F12 K2 K1 115.0(3) 2_665 . ?
F12 K2 F4 58.9(3) 2_665 1_545 ?
F4 K2 K5 83.2(2) 1_545 1_545 ?
F4 K2 K6 81.9(2) 1_545 1_545 ?
F4 K2 K1 123.2(3) 1_545 1_545 ?
F4 K2 K1 121.0(3) 1_545 . ?
O1 K2 K5 91.7(3) . 1_545 ?
O1 K2 K6 43.7(2) . 1_545 ?
O1 K2 K1 130.4(2) . 1_545 ?
O1 K2 K1 35.7(2) . . ?
O1 K2 F12 103.3(4) . 2_665 ?
O1 K2 F4 85.8(3) . 1_545 ?
O1 K2 F2 143.6(4) . 1_545 ?
O1 K2 N6 146.2(4) . . ?
O1 K2 N1 70.2(4) . . ?
O12 K2 K5 40.1(2) . 1_545 ?
O12 K2 K6 62.7(3) . 1_545 ?
O12 K2 K1 35.9(3) . 1_545 ?
O12 K2 K1 80.4(3) . . ?
O12 K2 O3 74.1(3) . 1_545 ?
O12 K2 F12 161.5(4) . 2_665 ?
O12 K2 F4 123.4(3) . 1_545 ?
O12 K2 O1 95.2(3) . . ?
O12 K2 F2 93.4(3) . 1_545 ?
O12 K2 N6 76.8(4) . . ?
O12 K2 N1 94.9(4) . . ?
F2 K2 K5 72.9(2) 1_545 1_545 ?
F2 K2 K6 113.1(3) 1_545 1_545 ?
F2 K2 K1 68.9(2) 1_545 1_545 ?
F2 K2 K1 173.3(2) 1_545 . ?
F2 K2 F12 71.5(3) 1_545 2_665 ?
F2 K2 F4 60.2(4) 1_545 1_545 ?
F2 K2 N1 144.0(4) 1_545 . ?
N6 K2 K5 101.7(3) . 1_545 ?
N6 K2 K6 139.5(4) . 1_545 ?
N6 K2 K1 44.7(3) . 1_545 ?
N6 K2 K1 110.7(3) . . ?
N6 K2 F12 87.7(4) . 2_665 ?
N6 K2 F4 126.2(4) . 1_545 ?
N6 K2 F2 70.2(4) . 1_545 ?
N6 K2 N1 77.7(4) . . ?
N1 K2 K5 131.0(3) . 1_545 ?
N1 K2 K6 101.8(3) . 1_545 ?
N1 K2 K1 99.3(3) . 1_545 ?
N1 K2 K1 40.4(3) . . ?
N1 K2 F12 91.6(4) . 2_665 ?
N1 K2 F4 136.9(4) . 1_545 ?
K5 K1 K6 47.41(8) . 1_545 ?
K5 K1 K2 61.16(8) . 1_565 ?
K5 K1 K2 96.27(9) . . ?
K2 K1 K6 58.12(7) . 1_545 ?
K2 K1 K6 99.80(9) 1_565 1_545 ?
K2 K1 K2 106.77(9) . 1_565 ?
O9 K1 K5 37.8(2) . . ?
O9 K1 K6 36.0(2) . 1_545 ?
O9 K1 K2 98.2(2) . 1_565 ?
O9 K1 K2 93.2(2) . . ?
O9 K1 O1 74.3(3) . . ?
O9 K1 O12 71.5(3) . 1_565 ?
O9 K1 F17 86.7(4) . 1_565 ?
O9 K1 N6 137.9(4) . 1_565 ?
O9 K1 N1 133.5(4) . . ?
O9 K1 N10 143.8(5) . 1_565 ?
O1 K1 K5 62.6(3) . . ?
O1 K1 K6 41.1(2) . 1_545 ?
O1 K1 K2 35.9(2) . . ?
O1 K1 K2 79.5(2) . 1_565 ?
O1 K1 O12 93.3(3) . 1_565 ?
O1 K1 F17 145.6(3) . 1_565 ?
O1 K1 N6 88.8(4) . 1_565 ?
O1 K1 N1 71.9(4) . . ?
O1 K1 N10 112.3(4) . 1_565 ?
O12 K1 K5 42.8(2) 1_565 . ?
O12 K1 K6 90.2(2) 1_565 1_545 ?
O12 K1 K2 128.7(2) 1_565 . ?
O12 K1 K2 34.6(2) 1_565 1_565 ?
O12 K1 F17 53.1(3) 1_565 1_565 ?
O12 K1 N6 71.2(4) 1_565 1_565 ?
O12 K1 N1 140.6(4) 1_565 . ?
O12 K1 N10 72.6(4) 1_565 1_565 ?
F17 K1 K5 84.8(2) 1_565 . ?
F17 K1 K6 122.1(3) 1_565 1_545 ?
F17 K1 K2 75.1(2) 1_565 1_565 ?
F17 K1 K2 178.1(2) 1_565 . ?
F17 K1 N6 86.4(4) 1_565 1_565 ?
N6 K1 K5 100.1(3) 1_565 . ?
N6 K1 K6 126.3(3) 1_565 1_545 ?
N6 K1 K2 40.1(3) 1_565 1_565 ?
N6 K1 K2 94.9(3) 1_565 . ?
N1 K1 K5 134.0(3) . . ?
N1 K1 K6 100.0(3) . 1_545 ?
N1 K1 K2 42.1(3) . . ?
N1 K1 K2 105.9(3) . 1_565 ?
N1 K1 F17 137.4(4) . 1_565 ?
N1 K1 N6 72.1(4) . 1_565 ?
N10 K1 K5 111.5(4) 1_565 . ?
N10 K1 K6 148.6(3) 1_565 1_545 ?
N10 K1 K2 51.6(4) 1_565 1_565 ?
N10 K1 K2 112.8(3) 1_565 . ?
N10 K1 F17 68.1(4) 1_565 1_565 ?
N10 K1 N6 23.5(4) 1_565 1_565 ?
N10 K1 N1 79.6(5) 1_565 . ?
K6 O3 K5 80.1(3) . . ?
K6 O3 K10 114.6(8) . 1_565 ?
K2 O3 K5 108.1(3) 1_565 . ?
K2 O3 K6 104.3(3) 1_565 . ?
K2 O3 K10 16.7(9) 1_565 1_565 ?
C3 O3 K5 99.2(7) . . ?
C3 O3 K6 117.1(8) . . ?
C3 O3 K2 133.6(7) . 1_565 ?
C3 O3 K10 127.8(11) . 1_565 ?
K10 O3 K5 96.3(12) 1_565 . ?
K5 O9 K6 79.5(3) . 1_545 ?
K5 O9 K9 116.2(11) . . ?
K6 O9 K9 98.3(9) 1_545 . ?
K1 O9 K5 105.3(3) . . ?
K1 O9 K6 109.4(3) . 1_545 ?
C9 O9 K5 116.6(8) . . ?
C9 O9 K6 99.3(7) . 1_545 ?
C9 O9 K1 132.8(7) . . ?
C9 O9 K9 126.5(13) . . ?
K5 O2 K6 79.0(3) . 1_545 ?
K8 O2 K5 105.1(4) . . ?
K8 O2 K6 108.4(4) . 1_545 ?
C2 O2 K5 114.9(7) . . ?
C2 O2 K6 99.0(7) . 1_545 ?
C2 O2 K8 135.0(7) . . ?
C2 O2 K11 129.6(12) . . ?
K11 O2 K5 115.1(10) . . ?
K5 O11 K14 98.1(12) 1_545 . ?
K6 O11 K5 80.6(3) 1_545 1_545 ?
K6 O11 K14 116.9(10) 1_545 . ?
K3 O11 K5 108.7(4) . 1_545 ?
K3 O11 K6 105.3(4) . 1_545 ?
C12 O11 K5 98.7(7) . 1_545 ?
C12 O11 K6 118.3(7) . 1_545 ?
C12 O11 K3 131.6(7) . . ?
C12 O11 K14 124.2(12) . . ?
K6 O5 K5 80.3(3) . . ?
K7 O5 K5 108.5(3) . . ?
K7 O5 K6 105.6(3) . . ?
C5 O5 K5 97.4(7) . . ?
C5 O5 K6 117.6(8) . . ?
C5 O5 K7 132.7(8) . . ?
C5 O5 K12 124.9(15) . . ?
K12 O5 K5 97.1(9) . . ?
K12 O5 K6 117.2(13) . . ?
K5 O7 K6 79.2(3) . 1_545 ?
K5 O7 K13 114.5(12) . . ?
K6 O7 K13 97.3(9) 1_545 . ?
K4 O7 K5 105.5(3) . . ?
K4 O7 K6 109.0(3) . 1_545 ?
C8 O7 K5 115.4(8) . . ?
C8 O7 K6 100.2(7) . 1_545 ?
C8 O7 K4 133.3(8) . . ?
C8 O7 K13 129.3(14) . . ?
K8 F14 K11 14.0(7) 3_465 3_465 ?
C10 F14 K8 142.2(11) . 3_465 ?
C10 F14 K11 128.3(13) . 3_465 ?
K2 F12 K7 100.5(3) 2_664 1_545 ?
K2 F12 K10 14.2(7) 2_664 2_664 ?
C7 F12 K7 109.9(8) . 1_545 ?
C7 F12 K2 139.0(11) . 2_664 ?
C7 F12 K10 124.9(13) . 2_664 ?
K2 F4 K10 14.0(7) 1_565 1_565 ?
C4 F4 K2 116.9(5) . 1_565 ?
C4 F4 K10 113.5(14) . 1_565 ?
K8 O8 K6 102.4(4) . 1_545 ?
K8 O8 K7 110.2(4) . 1_545 ?
K7 O8 K6 96.4(4) 1_545 1_545 ?
C8 O8 K6 86.3(6) . 1_545 ?
C8 O8 K8 125.4(9) . . ?
C8 O8 K7 122.4(8) . 1_545 ?
C8 O8 K11 141.8(14) . . ?
K2 O1 K6 97.5(4) . 1_545 ?
K1 O1 K6 102.6(3) . 1_545 ?
K1 O1 K2 108.4(4) . . ?
C2 O1 K6 88.8(7) . 1_545 ?
C2 O1 K2 124.3(8) . . ?
C2 O1 K1 124.0(9) . . ?
C2 O1 K9 140.9(14) . . ?
K3 F6 K14 14.0(7) 3_565 3_565 ?
C4 F6 K3 129.2(11) . 3_565 ?
C4 F6 K14 115.5(13) . 3_565 ?
C6 F9 K9 125.3(13) . 4_554 ?
K2 O12 K5 104.3(3) . 1_545 ?
K2 O12 K1 109.5(4) . 1_545 ?
K1 O12 K5 97.9(4) 1_545 1_545 ?
C12 O12 K5 89.1(6) . 1_545 ?
C12 O12 K2 125.1(9) . . ?
C12 O12 K1 121.1(8) . 1_545 ?
C12 O12 K10 142.4(14) . . ?
K8 O4 K5 96.5(4) . . ?
K7 O4 K5 102.7(4) . . ?
K7 O4 K8 109.2(4) . . ?
C3 O4 K5 86.8(6) . . ?
C3 O4 K8 122.4(9) . . ?
C3 O4 K7 126.1(9) . . ?
C3 O4 K12 143.1(14) . . ?
K12 O4 K5 96.8(14) . . ?
K7 F1 K12 14.4(9) 2_675 2_675 ?
C1 F1 K7 137.2(12) . 2_675 ?
C1 F1 K12 123.0(14) . 2_675 ?
K4 O6 K5 98.6(4) . . ?
K3 O6 K5 103.8(4) 1_565 . ?
K3 O6 K4 109.2(3) 1_565 . ?
C5 O6 K5 88.5(6) . . ?
C5 O6 K4 123.3(8) . . ?
C5 O6 K3 123.5(9) . 1_565 ?
C5 O6 K14 140.6(13) . 1_565 ?
K14 O6 K5 99.6(13) 1_565 . ?
K4 O10 K6 102.8(3) . 1_545 ?
K4 O10 K3 108.3(4) . . ?
K3 O10 K6 97.1(4) . 1_545 ?
C9 O10 K6 88.1(6) . 1_545 ?
C9 O10 K4 126.6(10) . . ?
C9 O10 K3 122.1(9) . . ?
C9 O10 K13 143.5(14) . . ?
K1 F17 K13 93.3(8) 1_545 4_545 ?
C11 F17 K1 116.7(7) . 1_545 ?
C11 F17 K13 120.5(13) . 4_545 ?
C1 F2 K2 151.0(7) . 1_565 ?
C1 F2 K10 141.9(16) . 1_565 ?
C10 F13 K3 149.2(7) . 1_565 ?
C10 F13 K14 140.2(16) . 1_565 ?
C6 F8 K4 143.8(10) . 1_565 ?
C6 F8 K13 142.0(17) . 1_565 ?
O9 C9 K6 58.6(6) . 1_545 ?
O9 C9 O10 126.4(8) . . ?
O9 C9 C10 117.5(8) . . ?
O10 C9 K6 69.4(6) . 1_545 ?
O10 C9 C10 115.6(8) . . ?
C10 C9 K6 158.5(8) . 1_545 ?
C4 F5 K8 147.1(7) . 1_565 ?
C4 F5 K11 138.4(16) . 1_565 ?
O7 C8 K6 58.0(6) . 1_545 ?
O7 C8 O8 127.3(9) . . ?
O7 C8 C7 117.1(11) . . ?
O8 C8 K6 70.6(6) . 1_545 ?
O8 C8 C7 114.5(11) . . ?
C7 C8 K6 156.5(8) . 1_545 ?
O5 C5 K6 44.4(6) . . ?
O5 C5 O6 127.6(9) . . ?
O5 C5 C6 117.6(11) . . ?
O6 C5 K6 102.6(7) . . ?
O6 C5 C6 114.4(10) . . ?
C6 C5 K6 130.2(7) . . ?
O3 C3 K6 45.0(6) . . ?
O3 C3 O4 127.7(8) . . ?
O3 C3 C4 118.3(8) . . ?
O4 C3 K6 102.1(6) . . ?
O4 C3 C4 113.6(7) . . ?
C4 C3 K6 131.0(7) . . ?
K2 N6 K1 95.2(4) . 1_545 ?
K2 N6 K12 107.4(11) . 2_665 ?
K1 N6 K12 120.1(9) 1_545 2_665 ?
N10 N6 K2 108.8(12) . . ?
N10 N6 K1 66.6(10) . 1_545 ?
N10 N6 N7 109.1(14) . . ?
N10 N6 K10 114.4(16) . . ?
N10 N6 K12 142.2(15) . 2_665 ?
N7 N6 K2 128.6(12) . . ?
N7 N6 K1 131.4(11) . 1_545 ?
N7 N6 K10 131.8(18) . . ?
N7 N6 K12 36.0(12) . 2_665 ?
F15 C10 F13 105.5(10) . . ?
F15 C10 C9 113.6(7) . . ?
F15 C10 K14 126.5(13) . 1_565 ?
F14 C10 F15 107.5(10) . . ?
F14 C10 F13 106.3(10) . . ?
F14 C10 C9 115.6(10) . . ?
F14 C10 K14 107.2(13) . 1_565 ?
F13 C10 C9 107.6(9) . . ?
F13 C10 K14 25.0(11) . 1_565 ?
C9 C10 K14 85.5(11) . 1_565 ?
O2 C2 K6 59.2(6) . 1_545 ?
O2 C2 O1 126.8(9) . . ?
O2 C2 C1 117.2(8) . . ?
O1 C2 K6 68.6(6) . 1_545 ?
O1 C2 C1 115.0(9) . . ?
C1 C2 K6 158.0(7) . 1_545 ?
K1 N1 K2 97.5(4) . . ?
N2 N1 K2 77.0(10) . . ?
N2 N1 K1 143.1(11) . . ?
N2 N1 K9 150.7(17) . . ?
N5 N1 K2 146.7(12) . . ?
N5 N1 K1 96.7(11) . . ?
N5 N1 N2 107.7(14) . . ?
N5 N1 K9 98.3(18) . . ?
K5 C12 K6 64.58(14) 1_545 1_545 ?
O11 C12 K5 59.5(6) . 1_545 ?
O11 C12 K6 43.9(6) . 1_545 ?
O11 C12 O12 125.3(8) . . ?
O11 C12 C11 120.2(8) . . ?
O12 C12 K5 67.9(6) . 1_545 ?
O12 C12 K6 100.6(6) . 1_545 ?
O12 C12 C11 114.2(8) . . ?
C11 C12 K5 158.9(7) . 1_545 ?
C11 C12 K6 131.9(8) . 1_545 ?
F10 C7 F11 106.8(12) . . ?
F10 C7 C8 114.2(11) . . ?
F10 C7 K12 122.8(12) . . ?
F12 C7 F10 108.6(11) . . ?
F12 C7 F11 104.2(13) . . ?
F12 C7 C8 116.0(12) . . ?
F12 C7 K12 111.0(14) . . ?
F11 C7 C8 106.1(10) . . ?
F11 C7 K12 24.1(10) . . ?
C8 C7 K12 82.7(11) . . ?
K4 N9 K3 97.7(4) 4_545 4_545 ?
N10 N9 K4 93.5(12) . 4_545 ?
N10 N9 K3 149.6(13) . 4_545 ?
N10 N9 N8 106.6(13) . . ?
N10 N9 K13 96.2(18) . 4_545 ?
N8 N9 K4 145.4(12) . 4_545 ?
N8 N9 K3 79.1(10) . 4_545 ?
N8 N9 K13 152.0(19) . 4_545 ?
F7 C6 C5 113.8(10) . . ?
F7 C6 K13 112.3(12) . 1_565 ?
F9 C6 F7 106.6(11) . . ?
F9 C6 F8 105.1(13) . . ?
F9 C6 C5 113.3(11) . . ?
F9 C6 K13 123.8(14) . 1_565 ?
F8 C6 F7 108.1(12) . . ?
F8 C6 C5 109.6(10) . . ?
F8 C6 K13 24.7(12) . 1_565 ?
C5 C6 K13 86.2(11) . 1_565 ?
F4 C4 F6 108.3(11) . . ?
F4 C4 F5 105.0(11) . . ?
F4 C4 C3 114.3(7) . . ?
F4 C4 K11 114.1(13) . 1_565 ?
F6 C4 F5 103.9(11) . . ?
F6 C4 C3 115.2(10) . . ?
F6 C4 K11 120.2(13) . 1_565 ?
F5 C4 C3 109.2(10) . . ?
F5 C4 K11 26.2(11) . 1_565 ?
C3 C4 K11 83.3(11) . 1_565 ?
N1 N2 K7 133.0(12) . 2_675 ?
N1 N2 N3 107.1(12) . . ?
N3 N2 K7 89.2(11) . 2_675 ?
F18 C11 F16 105.8(15) . . ?
F18 C11 C12 111.4(7) . . ?
F18 C11 F16A 112.1(18) . . ?
F17 C11 F18 106.2(10) . . ?
F17 C11 F16 114.4(16) . . ?
F17 C11 C12 113.3(10) . . ?
F17 C11 F16A 87.2(18) . . ?
F16 C11 C12 105.5(12) . . ?
F16A C11 C12 123(2) . . ?
K4 N10 K9 119.5(8) 4_545 1_545 ?
K1 N10 K4 116.6(4) 1_545 4_545 ?
K1 N10 K9 10.6(11) 1_545 1_545 ?
N6 N10 K4 151.2(13) . 4_545 ?
N6 N10 K1 89.9(11) . 1_545 ?
N6 N10 N9 109.9(15) . . ?
N6 N10 K9 88.6(14) . 1_545 ?
N6 N10 K13 159.1(17) . 4_545 ?
N9 N10 K4 63.6(10) . 4_545 ?
N9 N10 K1 128.6(13) . 1_545 ?
N9 N10 K9 119.5(17) . 1_545 ?
N9 N10 K13 57.2(14) . 4_545 ?
F3 C1 F2 106.5(10) . . ?
F3 C1 C2 114.2(7) . . ?
F3 C1 K10 123.0(13) . 1_565 ?
F1 C1 F3 108.1(10) . . ?
F1 C1 F2 105.3(12) . . ?
F1 C1 C2 114.9(10) . . ?
F1 C1 K10 111.5(16) . 1_565 ?
F2 C1 C2 107.1(9) . . ?
F2 C1 K10 24.1(11) . 1_565 ?
C2 C1 K10 83.7(12) . 1_565 ?
K4 N4 K11 123.5(10) 4_545 2_665 ?
K3 N4 K4 95.6(4) 4 4_545 ?
K3 N4 K11 108.0(9) 4 2_665 ?
N5 N4 K4 67.6(10) . 4_545 ?
N5 N4 K3 105.2(13) . 4 ?
N5 N4 N3 107.8(14) . . ?
N5 N4 K11 143.3(15) . 2_665 ?
N5 N4 K14 113.1(17) . 4 ?
N3 N4 K4 135.0(13) . 4_545 ?
N3 N4 K3 127.1(13) . 4 ?
N3 N4 K11 37.6(13) . 2_665 ?
N3 N4 K14 129.8(18) . 4 ?
K4 N5 K13 11.8(9) 4_545 4_545 ?
K4 N5 K14 80.3(10) 4_545 4 ?
N1 N5 K4 130.8(13) . 4_545 ?
N1 N5 K13 121.6(16) . 4_545 ?
N1 N5 K14 144.2(15) . 4 ?
N4 N5 K4 88.5(11) . 4_545 ?
N4 N5 N1 109.8(13) . . ?
N4 N5 K13 85.2(15) . 4_545 ?
N4 N5 K14 45.2(13) . 4 ?
K7 N7 K8 94.6(5) 2_665 2_665 ?
N6 N7 K8 132.6(11) . 2_665 ?
N6 N7 K7 125.0(12) . 2_665 ?
N6 N7 N8 106.2(12) . . ?
N6 N7 K12 126.1(18) . 2_665 ?
N8 N7 K8 67.0(9) . 2_665 ?
N8 N7 K7 119.4(12) . 2_665 ?
N8 N7 K12 125.7(18) . 2_665 ?
K8 N3 K7 93.9(4) 2_665 2_675 ?
K8 N3 K14 105.3(9) 2_665 4 ?
K7 N3 K14 117.7(10) 2_675 4 ?
N2 N3 K8 122.9(12) . 2_665 ?
N2 N3 K7 66.4(10) . 2_675 ?
N2 N3 K11 126.2(17) . 2_665 ?
N2 N3 K14 131.6(13) . 4 ?
N4 N3 K8 120.7(12) . 2_665 ?
N4 N3 K7 136.6(13) . 2_675 ?
N4 N3 N2 107.6(13) . . ?
N4 N3 K11 124.6(17) . 2_665 ?
N4 N3 K14 33.4(13) . 4 ?
K8 N8 K3 112.2(5) 2_665 4_545 ?
K8 N8 K12 74.6(9) 2_665 2_665 ?
K8 N8 K14 116.6(11) 2_665 4_545 ?
K3 N8 K12 127.1(11) 4_545 2_665 ?
K3 N8 K14 12.2(8) 4_545 4_545 ?
N9 N8 K8 130.2(12) . 2_665 ?
N9 N8 K3 75.5(9) . 4_545 ?
N9 N8 N7 108.0(14) . . ?
N9 N8 K12 141.6(14) . 2_665 ?
N9 N8 K14 81.5(13) . 4_545 ?
N7 N8 K8 88.6(9) . 2_665 ?
N7 N8 K3 150.2(12) . 4_545 ?
N7 N8 K12 36.1(13) . 2_665 ?
N7 N8 K14 138.4(14) . 4_545 ?
K6 K9 K5 46.4(8) 1_545 . ?
K6 K9 K10 91.4(16) 1_545 1_565 ?
K6 K9 K10 65.4(13) 1_545 . ?
O9 K9 K5 31.7(7) . . ?
O9 K9 K6 40.8(10) . 1_545 ?
O9 K9 F9 110.8(16) . 4_545 ?
O9 K9 N10 116.9(15) . 1_565 ?
O9 K9 K10 84.4(17) . 1_565 ?
O9 K9 K10 106(2) . . ?
O1 K9 K5 56.2(14) . . ?
O1 K9 K6 44.9(13) . 1_545 ?
O1 K9 O9 76(2) . . ?
O1 K9 F9 168.6(19) . 4_545 ?
O1 K9 N10 101.5(17) . 1_565 ?
O1 K9 K10 51.7(10) . . ?
O1 K9 K10 63.3(13) . 1_565 ?
F9 K9 K5 133.8(14) 4_545 . ?
F9 K9 K6 134.6(18) 4_545 1_545 ?
F9 K9 N10 84.3(15) 4_545 1_565 ?
F9 K9 K10 116.9(16) 4_545 . ?
F9 K9 K10 125.7(14) 4_545 1_565 ?
N1 K9 K5 135.1(17) . . ?
N1 K9 K6 115.9(14) . 1_545 ?
N1 K9 O9 156(2) . . ?
N1 K9 O1 82.6(14) . . ?
N1 K9 F9 89(2) . 4_545 ?
N1 K9 N10 75.9(19) . 1_565 ?
N1 K9 K10 52.1(13) . . ?
N1 K9 K10 93.8(18) . 1_565 ?
N10 K9 K5 94.2(11) 1_565 . ?
N10 K9 K6 136.2(16) 1_565 1_545 ?
N10 K9 K10 121.0(18) 1_565 . ?
N10 K9 K10 44.9(12) 1_565 1_565 ?
K10 K9 K5 103.4(16) . . ?
K10 K9 K5 54.2(13) 1_565 . ?
K5 K10 K6 47.3(8) 1_545 1_545 ?
K5 K10 K9 92.9(16) 1_545 . ?
K5 K10 K9 66.2(14) 1_545 1_545 ?
K5 K10 K12 129.5(11) 1_545 2_665 ?
O3 K10 K5 41.9(10) 1_545 1_545 ?
O3 K10 K6 32.5(7) 1_545 1_545 ?
O3 K10 F12 103.7(16) 1_545 2_665 ?
O3 K10 F4 50.2(11) 1_545 1_545 ?
O3 K10 C1 83.7(16) 1_545 1_545 ?
O3 K10 K9 108(2) 1_545 1_545 ?
O3 K10 K9 86.0(16) 1_545 . ?
O3 K10 K12 137.4(14) 1_545 2_665 ?
F12 K10 K5 142.0(19) 2_665 1_545 ?
F12 K10 K6 116.2(14) 2_665 1_545 ?
F12 K10 F4 55.6(8) 2_665 1_545 ?
F12 K10 C1 89.5(10) 2_665 1_545 ?
F12 K10 K9 101.4(14) 2_665 . ?
F12 K10 K9 138.5(19) 2_665 1_545 ?
F12 K10 K12 59.2(12) 2_665 2_665 ?
F4 K10 K5 86.6(17) 1_545 1_545 ?
F4 K10 K6 75.2(13) 1_545 1_545 ?
F4 K10 C1 72.0(10) 1_545 1_545 ?
F4 K10 K9 107.6(15) 1_545 . ?
F4 K10 K9 136.5(16) 1_545 1_545 ?
F4 K10 K12 95.2(13) 1_545 2_665 ?
O12 K10 K5 44.6(13) . 1_545 ?
O12 K10 K6 56.6(14) . 1_545 ?
O12 K10 O3 76(2) . 1_545 ?
O12 K10 F12 165.8(16) . 2_665 ?
O12 K10 F4 127(3) . 1_545 ?
O12 K10 C1 104.6(19) . 1_545 ?
O12 K10 K9 64.4(11) . . ?
O12 K10 K9 52.1(13) . 1_545 ?
O12 K10 K12 130(2) . 2_665 ?
F2 K10 K5 84(2) 1_545 1_545 ?
F2 K10 K6 118(3) 1_545 1_545 ?
F2 K10 O3 86(2) 1_545 1_545 ?
F2 K10 F12 75.5(14) 1_545 2_665 ?
F2 K10 F4 63.0(13) 1_545 1_545 ?
F2 K10 O12 118(2) 1_545 . ?
F2 K10 N6 90.1(19) 1_545 . ?
F2 K10 C1 14.0(6) 1_545 1_545 ?
F2 K10 K9 80.4(12) 1_545 1_545 ?
F2 K10 K9 170(3) 1_545 . ?
F2 K10 K12 53.2(16) 1_545 2_665 ?
N6 K10 K5 120.7(18) . 1_545 ?
N6 K10 K6 144.0(15) . 1_545 ?
N6 K10 O3 162(3) . 1_545 ?
N6 K10 F12 92(2) . 2_665 ?
N6 K10 F4 141(2) . 1_545 ?
N6 K10 O12 90.8(18) . . ?
N6 K10 C1 88.2(13) . 1_545 ?
N6 K10 K9 99.2(18) . . ?
N6 K10 K9 54.7(15) . 1_545 ?
N6 K10 K12 46.0(13) . 2_665 ?
C1 K10 K5 73.6(12) 1_545 1_545 ?
C1 K10 K6 112.8(19) 1_545 1_545 ?
C1 K10 K9 167(3) 1_545 . ?
C1 K10 K9 68.2(8) 1_545 1_545 ?
C1 K10 K12 59.4(10) 1_545 2_665 ?
K5 K12 K6 47.3(6) . . ?
K5 K12 K10 130.5(13) . 2_664 ?
K5 K12 K11 64.4(9) . . ?
K5 K12 K11 90.6(12) . 1_565 ?
O5 K12 K5 42.0(8) . . ?
O5 K12 K6 31.4(7) . . ?
O5 K12 F1 105.4(14) . 2_674 ?
O5 K12 N6 170(2) . 2_664 ?
O5 K12 C7 86.0(15) . . ?
O5 K12 N8 148(2) . 2_664 ?
O5 K12 K10 140.7(19) . 2_664 ?
O5 K12 K11 82.8(14) . 1_565 ?
O5 K12 K11 106.2(15) . . ?
O4 K12 K5 46.5(10) . . ?
O4 K12 K6 57.2(11) . . ?
O4 K12 O5 77.2(16) . . ?
O4 K12 F1 163(2) . 2_674 ?
O4 K12 N6 105.5(16) . 2_664 ?
O4 K12 C7 106.6(15) . . ?
O4 K12 N8 70.9(12) . 2_664 ?
O4 K12 K10 128.4(16) . 2_664 ?
O4 K12 K11 61.5(13) . 1_565 ?
O4 K12 K11 51.4(10) . . ?
F1 K12 K5 143.9(16) 2_674 . ?
F1 K12 K6 116.7(11) 2_674 . ?
F1 K12 N6 75.1(13) 2_674 2_664 ?
F1 K12 C7 90.8(15) 2_674 . ?
F1 K12 N8 105.6(16) 2_674 2_664 ?
F1 K12 K10 59.8(12) 2_674 2_664 ?
F1 K12 K11 139.7(17) 2_674 . ?
F1 K12 K11 101.5(10) 2_674 1_565 ?
N6 K12 K5 133.5(11) 2_664 . ?
N6 K12 K6 157.3(17) 2_664 . ?
N6 K12 C7 83.6(12) 2_664 . ?
N6 K12 N8 35.6(6) 2_664 2_664 ?
N6 K12 K10 30.7(9) 2_664 2_664 ?
N6 K12 K11 107.4(16) 2_664 1_565 ?
N6 K12 K11 69.3(11) 2_664 . ?
C7 K12 K5 74.6(10) . . ?
C7 K12 K6 114.1(14) . . ?
C7 K12 K10 60.0(11) . 2_664 ?
C7 K12 K11 165.2(17) . 1_565 ?
C7 K12 K11 67.4(11) . . ?
N7 K12 K5 120.4(14) 2_664 . ?
N7 K12 K6 141(2) 2_664 . ?
N7 K12 O5 162(2) 2_664 . ?
N7 K12 O4 87.6(16) 2_664 . ?
N7 K12 F1 91.7(18) 2_664 2_674 ?
N7 K12 N6 17.9(7) 2_664 2_664 ?
N7 K12 C7 89.9(15) 2_664 . ?
N7 K12 N8 18.2(7) 2_664 2_664 ?
N7 K12 K10 46.7(14) 2_664 2_664 ?
N7 K12 K11 98.0(18) 2_664 1_565 ?
N7 K12 K11 56.6(12) 2_664 . ?
N8 K12 K5 109.5(12) 2_664 . ?
N8 K12 K6 122.9(15) 2_664 . ?
N8 K12 C7 101.2(12) 2_664 . ?
N8 K12 K10 64.9(12) 2_664 2_664 ?
N8 K12 K11 83.6(13) 2_664 1_565 ?
N8 K12 K11 51.1(9) 2_664 . ?
K10 K12 K6 171.9(15) 2_664 . ?
K11 K12 K6 103.3(12) . . ?
K11 K12 K6 52.8(9) 1_565 . ?
K5 K11 K14 170.6(15) . 3 ?
K6 K11 K5 47.9(6) 1_545 . ?
K6 K11 K12 92.7(12) 1_545 . ?
K6 K11 K12 66.4(11) 1_545 1_545 ?
K6 K11 K14 130.1(12) 1_545 3 ?
O2 K11 K5 33.0(6) . . ?
O2 K11 K6 43.5(9) . 1_545 ?
O2 K11 F14 104.8(18) . 3_565 ?
O2 K11 C4 85.9(14) . 1_545 ?
O2 K11 N4 168.4(16) . 2_664 ?
O2 K11 K12 86.1(13) . . ?
O2 K11 K12 109.5(18) . 1_545 ?
O2 K11 K14 137.9(16) . 3 ?
F14 K11 K5 117.9(14) 3_565 . ?
F14 K11 K6 144.5(17) 3_565 1_545 ?
F14 K11 C4 88.7(11) 3_565 1_545 ?
F14 K11 N4 71.1(11) 3_565 2_664 ?
F14 K11 K12 101.6(14) 3_565 . ?
F14 K11 K12 136.4(14) 3_565 1_545 ?
F14 K11 K14 57.5(9) 3_565 3 ?
O8 K11 K5 59.4(10) . . ?
O8 K11 K6 48.4(10) . 1_545 ?
O8 K11 O2 81.3(16) . . ?
O8 K11 F14 162.9(19) . 3_565 ?
O8 K11 C4 107.8(17) . 1_545 ?
O8 K11 N4 105.8(19) . 2_664 ?
O8 K11 N3 88(2) . 2_664 ?
O8 K11 K12 51.4(12) . 1_545 ?
O8 K11 K12 62.4(11) . . ?
O8 K11 K14 127.7(19) . 3 ?
F5 K11 K5 125(2) 1_545 . ?
F5 K11 K6 90.2(15) 1_545 1_545 ?
F5 K11 O2 93.4(19) 1_545 . ?
F5 K11 F14 73.8(14) 1_545 3_565 ?
F5 K11 O8 122(2) 1_545 . ?
F5 K11 C4 15.4(6) 1_545 1_545 ?
F5 K11 N4 75.2(14) 1_545 2_664 ?
F5 K11 N3 84.9(16) 1_545 2_664 ?
F5 K11 K12 175(2) 1_545 . ?
F5 K11 K12 78.3(13) 1_545 1_545 ?
F5 K11 K14 46.7(13) 1_545 3 ?
C4 K11 K5 115.3(14) 1_545 . ?
C4 K11 K6 75.5(10) 1_545 1_545 ?
C4 K11 N4 83.3(10) 1_545 2_664 ?
C4 K11 K12 168.2(18) 1_545 . ?
C4 K11 K12 68.3(9) 1_545 1_545 ?
C4 K11 K14 58.3(9) 1_545 3 ?
N4 K11 K5 158.4(14) 2_664 . ?
N4 K11 K6 135.9(15) 2_664 1_545 ?
N4 K11 K12 105.3(14) 2_664 . ?
N4 K11 K12 69.9(12) 2_664 1_545 ?
N4 K11 K14 30.8(9) 2_664 3 ?
N3 K11 K5 143.3(17) 2_664 . ?
N3 K11 K6 122.6(18) 2_664 1_545 ?
N3 K11 O2 166(2) 2_664 . ?
N3 K11 F14 88.0(16) 2_664 3_565 ?
N3 K11 C4 89.1(12) 2_664 1_545 ?
N3 K11 N4 17.8(6) 2_664 2_664 ?
N3 K11 K12 96.8(15) 2_664 . ?
N3 K11 K12 56.6(13) 2_664 1_545 ?
N3 K11 K14 46.0(11) 2_664 3 ?
K12 K11 K5 105.5(13) 1_545 . ?
K12 K11 K5 54.9(9) . . ?
K6 K13 K14 91.6(13) 1_545 1_565 ?
K6 K13 K14 66.2(10) 1_545 . ?
O7 K13 K6 40.5(7) . 1_545 ?
O7 K13 F17 107.3(16) . 4_554 ?
O7 K13 C6 81.3(14) . 1_545 ?
O7 K13 N5 115.9(14) . 4_554 ?
O7 K13 K14 106.2(15) . . ?
O7 K13 K14 85.3(14) . 1_565 ?
O7 K13 F16A 105.3(16) . 4_554 ?
O10 K13 K6 44.0(10) . 1_545 ?
O10 K13 O7 74.7(16) . . ?
O10 K13 F17 168.8(18) . 4_554 ?
O10 K13 C6 103.5(15) . 1_545 ?
O10 K13 N10 111.3(18) . 4_554 ?
O10 K13 N5 103.6(19) . 4_554 ?
O10 K13 K14 63.6(13) . 1_565 ?
O10 K13 K14 52.8(10) . . ?
O10 K13 F16A 159(2) . 4_554 ?
F17 K13 K6 131.3(16) 4_554 1_545 ?
F17 K13 C6 66.5(11) 4_554 1_545 ?
F17 K13 K14 116.8(15) 4_554 . ?
F17 K13 K14 127.2(11) 4_554 1_565 ?
F8 K13 K6 85.2(15) 1_545 1_545 ?
F8 K13 O7 90.2(19) 1_545 . ?
F8 K13 O10 115.6(18) 1_545 . ?
F8 K13 F17 53.9(12) 1_545 4_554 ?
F8 K13 N9 88.5(17) 1_545 4_554 ?
F8 K13 C6 13.3(6) 1_545 1_545 ?
F8 K13 N10 80.1(17) 1_545 4_554 ?
F8 K13 N5 138(2) 1_545 4_554 ?
F8 K13 K14 74.3(13) 1_545 . ?
F8 K13 K14 176(2) 1_545 1_565 ?
F8 K13 F16A 85.0(17) 1_545 4_554 ?
N9 K13 K6 116.2(15) 4_554 1_545 ?
N9 K13 O7 157(2) 4_554 . ?
N9 K13 O10 84.8(16) 4_554 . ?
N9 K13 F17 90.6(18) 4_554 4_554 ?
N9 K13 C6 92.8(15) 4_554 1_545 ?
N9 K13 N10 26.6(8) 4_554 4_554 ?
N9 K13 N5 79.5(16) 4_554 4_554 ?
N9 K13 K14 95.8(18) 4_554 1_565 ?
N9 K13 K14 51.1(11) 4_554 . ?
N9 K13 F16A 98(2) 4_554 4_554 ?
C6 K13 K6 72.0(10) 1_545 1_545 ?
C6 K13 K14 163.6(18) 1_545 1_565 ?
C6 K13 K14 67.8(10) 1_545 . ?
N10 K13 K6 139.2(13) 4_554 1_545 ?
N10 K13 O7 170(2) 4_554 . ?
N10 K13 F17 65.2(13) 4_554 4_554 ?
N10 K13 C6 89.5(14) 4_554 1_545 ?
N10 K13 N5 71.1(14) 4_554 4_554 ?
N10 K13 K14 104.3(18) 4_554 1_565 ?
N10 K13 K14 73.3(12) 4_554 . ?
N10 K13 F16A 72.1(15) 4_554 4_554 ?
N5 K13 K6 136.4(17) 4_554 1_545 ?
N5 K13 F17 85.5(13) 4_554 4_554 ?
N5 K13 C6 151.0(19) 4_554 1_545 ?
N5 K13 K14 123.2(17) 4_554 . ?
N5 K13 K14 45.0(11) 4_554 1_565 ?
F16A K13 K14 142.0(19) 4_554 . ?
K5 K14 K13 92.5(12) 1_545 . ?
K5 K14 K13 66.6(11) 1_545 1_545 ?
O11 K14 K5 40.7(8) . 1_545 ?
O11 K14 F6 103.9(18) . 3_465 ?
O11 K14 C10 84.5(13) . 1_545 ?
O11 K14 N5 145(2) . 4_544 ?
O11 K14 N3 168.8(16) . 4_544 ?
O11 K14 N8 126.3(15) . 4_554 ?
O11 K14 K13 107.1(17) . 1_545 ?
O11 K14 K13 84.9(13) . . ?
F6 K14 K5 141.5(17) 3_465 1_545 ?
F6 K14 C10 92.2(12) 3_465 1_545 ?
F6 K14 N3 79.6(12) 3_465 4_544 ?
F6 K14 N8 60.7(10) 3_465 4_554 ?
F6 K14 K13 99.6(14) 3_465 . ?
F6 K14 K13 140.2(14) 3_465 1_545 ?
O6 K14 K5 43.8(9) 1_545 1_545 ?
O6 K14 O11 74.4(15) 1_545 . ?
O6 K14 F6 164.4(16) 1_545 3_465 ?
O6 K14 C10 103.0(15) 1_545 1_545 ?
O6 K14 N5 70.5(14) 1_545 4_544 ?
O6 K14 N3 105.1(19) 1_545 4_544 ?
O6 K14 N8 107.4(16) 1_545 4_554 ?
O6 K14 K13 52.2(12) 1_545 1_545 ?
O6 K14 K13 64.9(11) 1_545 . ?
F13 K14 K5 82.2(15) 1_545 1_545 ?
F13 K14 O11 83.7(18) 1_545 . ?
F13 K14 F6 78.0(15) 1_545 3_465 ?
F13 K14 O6 117(2) 1_545 1_545 ?
F13 K14 C10 14.9(6) 1_545 1_545 ?
F13 K14 N4 93.2(17) 1_545 4_544 ?
F13 K14 N5 111.9(18) 1_545 4_544 ?
F13 K14 N3 86.7(15) 1_545 4_544 ?
F13 K14 N8 132(2) 1_545 4_554 ?
F13 K14 K13 167(2) 1_545 . ?
F13 K14 K13 81.2(13) 1_545 1_545 ?
C10 K14 K5 73.2(9) 1_545 1_545 ?
C10 K14 N8 141.3(16) 1_545 4_554 ?
C10 K14 K13 66.9(8) 1_545 1_545 ?
C10 K14 K13 165.7(18) 1_545 . ?
N4 K14 K5 117.8(18) 4_544 1_545 ?
N4 K14 O11 158(2) 4_544 . ?
N4 K14 F6 96.2(17) 4_544 3_465 ?
N4 K14 O6 88.3(19) 4_544 1_545 ?
N4 K14 C10 87.1(12) 4_544 1_545 ?
N4 K14 N5 21.7(7) 4_544 4_544 ?
N4 K14 N3 16.8(7) 4_544 4_544 ?
N4 K14 N8 70.6(14) 4_544 4_554 ?
N4 K14 K13 51.5(13) 4_544 1_545 ?
N4 K14 K13 99.5(16) 4_544 . ?
N5 K14 K5 108.0(15) 4_544 1_545 ?
N5 K14 F6 110.0(17) 4_544 3_465 ?
N5 K14 C10 102.9(13) 4_544 1_545 ?
N5 K14 N3 36.4(7) 4_544 4_544 ?
N5 K14 N8 66.6(12) 4_544 4_554 ?
N5 K14 K13 80.6(12) 4_544 . ?
N5 K14 K13 49.0(11) 4_544 1_545 ?
N3 K14 K5 132.0(15) 4_544 1_545 ?
N3 K14 C10 84.7(10) 4_544 1_545 ?
N3 K14 N8 64.8(11) 4_544 4_554 ?
N3 K14 K13 105.2(15) 4_544 . ?
N3 K14 K13 65.6(12) 4_544 1_545 ?
N8 K14 K5 145.1(13) 4_554 1_545 ?
N8 K14 K13 115.5(16) 4_554 1_545 ?
N8 K14 K13 52.8(10) 4_554 . ?
C11 F16A K13 120(2) . 4_545 ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
K5 O3 C3 K6 83.5(6) . . . . ?
K5 O3 C3 O4 16.9(15) . . . . ?
K5 O3 C3 C4 -155.5(9) . . . . ?
K5 O9 C9 K6 82.8(6) . . . 1_545 ?
K5 O9 C9 O10 66.9(16) . . . . ?
K5 O9 C9 C10 -121.6(10) . . . . ?
K5 O2 C2 K6 82.0(5) . . . 1_545 ?
K5 O2 C2 O1 69.8(16) . . . . ?
K5 O2 C2 C1 -122.9(9) . . . . ?
K5 O11 C12 K6 83.9(6) 1_545 . . 1_545 ?
K5 O11 C12 O12 18.0(14) 1_545 . . . ?
K5 O11 C12 C11 -155.5(9) 1_545 . . . ?
K5 O5 C5 K6 82.9(6) . . . . ?
K5 O5 C5 O6 16.0(15) . . . . ?
K5 O5 C5 C6 -156.8(8) . . . . ?
K5 O7 C8 K6 82.8(6) . . . 1_545 ?
K5 O7 C8 O8 68.8(16) . . . . ?
K5 O7 C8 C7 -123.7(10) . . . . ?
K5 O12 C12 K6 -56.8(4) 1_545 . . 1_545 ?
K5 O12 C12 O11 -16.7(13) 1_545 . . . ?
K5 O12 C12 C11 157.2(8) 1_545 . . . ?
K5 O4 C3 K6 -57.0(4) . . . . ?
K5 O4 C3 O3 -15.4(14) . . . . ?
K5 O4 C3 C4 157.3(9) . . . . ?
K5 O6 C5 K6 -56.2(4) . . . . ?
K5 O6 C5 O5 -14.9(14) . . . . ?
K5 O6 C5 C6 158.0(9) . . . . ?
K5 C12 C11 F18 -69(2) 1_545 . . . ?
K5 C12 C11 F17 51.2(19) 1_545 . . . ?
K5 C12 C11 F16 177.0(19) 1_545 . . . ?
K5 C12 C11 F16A 154(2) 1_545 . . . ?
K6 O3 C3 O4 -66.6(16) . . . . ?
K6 O3 C3 C4 121.0(10) . . . . ?
K6 O9 C9 O10 -15.9(15) 1_545 . . . ?
K6 O9 C9 C10 155.6(9) 1_545 . . . ?
K6 O2 C2 O1 -12.2(14) 1_545 . . . ?
K6 O2 C2 C1 155.1(9) 1_545 . . . ?
K6 O11 C12 K5 -83.9(6) 1_545 . . 1_545 ?
K6 O11 C12 O12 -65.9(16) 1_545 . . . ?
K6 O11 C12 C11 120.6(9) 1_545 . . . ?
K6 O5 C5 O6 -66.9(16) . . . . ?
K6 O5 C5 C6 120.4(9) . . . . ?
K6 O7 C8 O8 -14.0(15) 1_545 . . . ?
K6 O7 C8 C7 153.5(9) 1_545 . . . ?
K6 O8 C8 O7 12.6(14) 1_545 . . . ?
K6 O8 C8 C7 -155.2(10) 1_545 . . . ?
K6 O1 C2 O2 11.2(13) 1_545 . . . ?
K6 O1 C2 C1 -156.3(9) 1_545 . . . ?
K6 O10 C9 O9 14.4(14) 1_545 . . . ?
K6 O10 C9 C10 -157.2(10) 1_545 . . . ?
K6 C9 C10 F15 43(2) 1_545 . . . ?
K6 C9 C10 F14 -82.2(18) 1_545 . . . ?
K6 C9 C10 F13 159.2(15) 1_545 . . . ?
K6 C9 C10 K14 170.9(18) 1_545 . . 1_565 ?
K6 C8 C7 F10 48(3) 1_545 . . . ?
K6 C8 C7 F12 -80(3) 1_545 . . . ?
K6 C8 C7 F11 165.0(17) 1_545 . . . ?
K6 C8 C7 K12 170(2) 1_545 . . . ?
K6 C5 C6 F7 68.8(14) . . . . ?
K6 C5 C6 F9 -169.2(10) . . . . ?
K6 C5 C6 F8 -52.3(16) . . . . ?
K6 C5 C6 K13 -43.9(12) . . . 1_565 ?
K6 C3 C4 F4 71.5(14) . . . . ?
K6 C3 C4 F6 -162.2(10) . . . . ?
K6 C3 C4 F5 -45.7(11) . . . . ?
K6 C3 C4 K11 -41.9(12) . . . 1_565 ?
K6 C2 C1 F3 50(2) 1_545 . . . ?
K6 C2 C1 F1 -76.1(18) 1_545 . . . ?
K6 C2 C1 F2 167.3(15) 1_545 . . . ?
K6 C2 C1 K10 173(2) 1_545 . . 1_565 ?
K6 C12 C11 F18 67.6(12) 1_545 . . . ?
K6 C12 C11 F17 -172.6(9) 1_545 . . . ?
K6 C12 C11 F16 -46.8(16) 1_545 . . . ?
K6 C12 C11 F16A -70(2) 1_545 . . . ?
K8 O2 C2 K6 -127.6(12) . . . 1_545 ?
K8 O2 C2 O1 -139.7(10) . . . . ?
K8 O2 C2 C1 27.5(18) . . . . ?
K8 F14 C10 F15 112.1(14) 3_465 . . . ?
K8 F14 C10 F13 -0.4(17) 3_465 . . . ?
K8 F14 C10 C9 -119.8(13) 3_465 . . . ?
K8 O8 C8 K6 -102.6(8) . . . 1_545 ?
K8 O8 C8 O7 -90.0(15) . . . . ?
K8 O8 C8 C7 102.2(11) . . . . ?
K8 O4 C3 K6 -152.7(5) . . . . ?
K8 O4 C3 O3 -111.1(13) . . . . ?
K8 O4 C3 C4 61.7(13) . . . . ?
K8 F5 C4 F4 -102.0(16) 1_565 . . . ?
K8 F5 C4 F6 144.4(14) 1_565 . . . ?
K8 F5 C4 C3 21(2) 1_565 . . . ?
K8 N7 N8 K3 -136(2) 2_665 . . 4_545 ?
K8 N7 N8 N9 132.1(14) 2_665 . . . ?
K7 O5 C5 K6 -153.3(13) . . . . ?
K7 O5 C5 O6 139.8(11) . . . . ?
K7 O5 C5 C6 -33.0(15) . . . . ?
K7 F12 C7 F10 -111.3(9) 1_545 . . . ?
K7 F12 C7 F11 135.1(8) 1_545 . . . ?
K7 F12 C7 C8 18.8(15) 1_545 . . . ?
K7 O8 C8 K6 95.3(7) 1_545 . . 1_545 ?
K7 O8 C8 O7 107.8(13) 1_545 . . . ?
K7 O8 C8 C7 -59.9(13) 1_545 . . . ?
K7 O4 C3 K6 46.4(8) . . . . ?
K7 O4 C3 O3 88.0(15) . . . . ?
K7 O4 C3 C4 -99.2(11) . . . . ?
K7 F1 C1 F3 112.2(12) 2_675 . . . ?
K7 F1 C1 F2 -1.4(12) 2_675 . . . ?
K7 F1 C1 C2 -119.0(11) 2_675 . . . ?
K7 N2 N3 K8 -78.8(10) 2_675 . . 2_665 ?
K7 N2 N3 N4 133.8(14) 2_675 . . . ?
K7 N7 N8 K8 81.9(9) 2_665 . . 2_665 ?
K7 N7 N8 K3 -54(2) 2_665 . . 4_545 ?
K7 N7 N8 N9 -145.9(11) 2_665 . . . ?
K4 O7 C8 K6 -128.7(12) . . . 1_545 ?
K4 O7 C8 O8 -142.7(11) . . . . ?
K4 O7 C8 C7 24.8(17) . . . . ?
K4 O6 C5 K6 -155.6(5) . . . . ?
K4 O6 C5 O5 -114.3(12) . . . . ?
K4 O6 C5 C6 58.7(13) . . . . ?
K4 O10 C9 K6 -104.6(7) . . . 1_545 ?
K4 O10 C9 O9 -90.1(15) . . . . ?
K4 O10 C9 C10 98.2(11) . . . . ?
K4 F8 C6 F7 -86.2(15) 1_565 . . . ?
K4 F8 C6 F9 160.2(12) 1_565 . . . ?
K4 F8 C6 C5 38(2) 1_565 . . . ?
K4 N9 N10 K1 -104.0(11) 4_545 . . 1_545 ?
K4 N9 N10 N6 149.3(14) 4_545 . . . ?
K4 N9 N8 K8 -19(3) 4_545 . . 2_665 ?
K4 N9 N8 K3 87.8(18) 4_545 . . 4_545 ?
K4 N9 N8 N7 -123.1(18) 4_545 . . . ?
K4 N4 N5 N1 -133.3(17) 4_545 . . . ?
K4 N4 N3 K8 -71.0(18) 4_545 . . 2_665 ?
K4 N4 N3 K7 151.1(9) 4_545 . . 2_675 ?
K4 N4 N3 N2 77(2) 4_545 . . . ?
K3 O11 C12 K5 124.6(11) . . . 1_545 ?
K3 O11 C12 K6 -151.5(14) . . . 1_545 ?
K3 O11 C12 O12 142.7(10) . . . . ?
K3 O11 C12 C11 -30.9(17) . . . . ?
K3 F6 C4 F4 -112.1(12) 3_565 . . . ?
K3 F6 C4 F5 -0.9(13) 3_565 . . . ?
K3 F6 C4 C3 118.6(10) 3_565 . . . ?
K3 O6 C5 K6 49.4(8) 1_565 . . . ?
K3 O6 C5 O5 90.6(15) 1_565 . . . ?
K3 O6 C5 C6 -96.4(11) 1_565 . . . ?
K3 O10 C9 K6 97.2(7) . . . 1_545 ?
K3 O10 C9 O9 111.7(12) . . . . ?
K3 O10 C9 C10 -60.0(14) . . . . ?
K3 F13 C10 F15 140.1(14) 1_565 . . . ?
K3 F13 C10 F14 -106.0(15) 1_565 . . . ?
K3 F13 C10 C9 18.5(19) 1_565 . . . ?
K3 N9 N10 K4 112(2) 4_545 . . 4_545 ?
K3 N9 N10 K1 8(3) 4_545 . . 1_545 ?
K3 N9 N10 N6 -99(2) 4_545 . . . ?
K3 N9 N8 K8 -107.0(11) 4_545 . . 2_665 ?
K3 N9 N8 N7 149.1(13) 4_545 . . . ?
K3 N4 N5 K4 -89.8(7) 4 . . 4_545 ?
K3 N4 N5 N1 136.9(13) 4 . . . ?
K3 N4 N3 K8 87.3(16) 4 . . 2_665 ?
K3 N4 N3 K7 -51(2) 4 . . 2_675 ?
K3 N4 N3 N2 -124.5(14) 4 . . . ?
K2 O3 C3 K6 -150.4(14) 1_565 . . . ?
K2 O3 C3 O4 143.1(11) 1_565 . . . ?
K2 O3 C3 C4 -29.4(18) 1_565 . . . ?
K2 F12 C7 F10 113.4(14) 2_664 . . . ?
K2 F12 C7 F11 -0.2(17) 2_664 . . . ?
K2 F12 C7 C8 -116.5(12) 2_664 . . . ?
K2 F4 C4 F6 -133.3(10) 1_565 . . . ?
K2 F4 C4 F5 116.1(8) 1_565 . . . ?
K2 F4 C4 C3 -3.5(15) 1_565 . . . ?
K2 O1 C2 K6 98.2(8) . . . 1_545 ?
K2 O1 C2 O2 109.4(13) . . . . ?
K2 O1 C2 C1 -58.1(13) . . . . ?
K2 O12 C12 K5 107.0(7) . . . 1_545 ?
K2 O12 C12 K6 50.2(8) . . . 1_545 ?
K2 O12 C12 O11 90.2(14) . . . . ?
K2 O12 C12 C11 -95.9(11) . . . . ?
K2 F2 C1 F3 123.7(17) 1_565 . . . ?
K2 F2 C1 F1 -121.7(18) 1_565 . . . ?
K2 F2 C1 C2 1(2) 1_565 . . . ?
K2 N6 N10 K4 -70(3) . . . 4_545 ?
K2 N6 N10 K1 87.5(8) . . . 1_545 ?
K2 N6 N10 N9 -141.0(13) . . . . ?
K2 N6 N7 K8 58.6(18) . . . 2_665 ?
K2 N6 N7 K7 -82.2(15) . . . 2_665 ?
K2 N6 N7 N8 132.0(12) . . . . ?
K2 N1 N2 K7 109.4(13) . . . 2_675 ?
K2 N1 N2 N3 -145.1(14) . . . . ?
K2 N1 N5 K4 -12(3) . . . 4_545 ?
K2 N1 N5 N4 94(2) . . . . ?
K1 O9 C9 K6 -127.5(11) . . . 1_545 ?
K1 O9 C9 O10 -143.4(11) . . . . ?
K1 O9 C9 C10 28.1(17) . . . . ?
K1 O1 C2 K6 -104.4(8) . . . 1_545 ?
K1 O1 C2 O2 -93.2(14) . . . . ?
K1 O1 C2 C1 99.3(11) . . . . ?
K1 O12 C12 K5 -98.7(7) 1_545 . . 1_545 ?
K1 O12 C12 K6 -155.5(5) 1_545 . . 1_545 ?
K1 O12 C12 O11 -115.5(12) 1_545 . . . ?
K1 O12 C12 C11 58.4(12) 1_545 . . . ?
K1 F17 C11 F18 130.1(8) 1_545 . . . ?
K1 F17 C11 F16 -113.5(11) 1_545 . . . ?
K1 F17 C11 C12 7.4(12) 1_545 . . . ?
K1 N6 N10 K4 -157(3) 1_545 . . 4_545 ?
K1 N6 N10 N9 131.5(17) 1_545 . . . ?
K1 N6 N7 K8 -152.3(7) 1_545 . . 2_665 ?
K1 N6 N7 K7 66.9(16) 1_545 . . 2_665 ?
K1 N6 N7 N8 -78.9(17) 1_545 . . . ?
K1 N1 N2 K7 24(3) . . . 2_675 ?
K1 N1 N2 N3 129.8(16) . . . . ?
K1 N1 N5 K4 102.2(13) . . . 4_545 ?
K1 N1 N5 N4 -151.8(14) . . . . ?
O3 C3 C4 F4 18.1(18) . . . . ?
O3 C3 C4 F6 144.4(13) . . . . ?
O3 C3 C4 F5 -99.2(13) . . . . ?
O3 C3 C4 K11 -95.3(15) . . . 1_565 ?
O9 C9 C10 F15 -31.0(17) . . . . ?
O9 C9 C10 F14 -156.0(13) . . . . ?
O9 C9 C10 F13 85.5(13) . . . . ?
O9 C9 C10 K14 97.1(14) . . . 1_565 ?
O2 C2 C1 F3 -24.8(18) . . . . ?
O2 C2 C1 F1 -150.5(13) . . . . ?
O2 C2 C1 F2 92.9(12) . . . . ?
O2 C2 C1 K10 98.7(16) . . . 1_565 ?
O11 C12 C11 F18 14.3(17) . . . . ?
O11 C12 C11 F17 134.1(13) . . . . ?
O11 C12 C11 F16 -100.1(18) . . . . ?
O11 C12 C11 F16A -123(2) . . . . ?
O5 C5 C6 F7 16.6(16) . . . . ?
O5 C5 C6 F9 138.6(14) . . . . ?
O5 C5 C6 F8 -104.5(14) . . . . ?
O5 C5 C6 K13 -96.1(13) . . . 1_565 ?
O7 C8 C7 F10 -23.9(18) . . . . ?
O7 C8 C7 F12 -151.3(15) . . . . ?
O7 C8 C7 F11 93.5(15) . . . . ?
O7 C8 C7 K12 98.9(14) . . . . ?
O8 C8 C7 F10 145.2(13) . . . . ?
O8 C8 C7 F12 17.8(18) . . . . ?
O8 C8 C7 F11 -97.4(15) . . . . ?
O8 C8 C7 K12 -92.0(13) . . . . ?
F18 C11 F16A K13 112(2) . . . 4_545 ?
O1 C2 C1 F3 144.0(12) . . . . ?
O1 C2 C1 F1 18.3(16) . . . . ?
O1 C2 C1 F2 -98.3(13) . . . . ?
O1 C2 C1 K10 -92.6(15) . . . 1_565 ?
O12 C12 C11 F18 -159.9(12) . . . . ?
O12 C12 C11 F17 -40.2(14) . . . . ?
O12 C12 C11 F16 85.7(19) . . . . ?
O12 C12 C11 F16A 62(2) . . . . ?
O4 C3 C4 F4 -155.4(13) . . . . ?
O4 C3 C4 F6 -29.1(17) . . . . ?
O4 C3 C4 F5 87.3(14) . . . . ?
O4 C3 C4 K11 91.2(14) . . . 1_565 ?
O6 C5 C6 F7 -157.1(13) . . . . ?
O6 C5 C6 F9 -35.1(16) . . . . ?
O6 C5 C6 F8 81.8(15) . . . . ?
O6 C5 C6 K13 90.2(13) . . . 1_565 ?
O10 C9 C10 F15 141.4(12) . . . . ?
O10 C9 C10 F14 16.5(18) . . . . ?
O10 C9 C10 F13 -102.1(14) . . . . ?
O10 C9 C10 K14 -90.4(15) . . . 1_565 ?
F17 C11 F16A K13 6(2) . . . 4_545 ?
N6 N7 N8 K8 -129.9(12) . . . 2_665 ?
N6 N7 N8 K3 94(2) . . . 4_545 ?
N6 N7 N8 N9 2.2(19) . . . . ?
N6 N7 N8 K12 165(2) . . . 2_665 ?
N6 N7 N8 K14 100(2) . . . 4_545 ?
N1 N2 N3 K8 146.0(12) . . . 2_665 ?
N1 N2 N3 K7 -135.1(15) . . . 2_675 ?
N1 N2 N3 N4 -1(2) . . . . ?
N1 N2 N3 K11 164.4(17) . . . 2_665 ?
N1 N2 N3 K14 -28(2) . . . 4 ?
C12 C11 F16A K13 -110(3) . . . 4_545 ?
N2 N1 N5 K4 -105.7(15) . . . 4_545 ?
N2 N1 N5 N4 0(2) . . . . ?
N2 N1 N5 K13 -96.5(18) . . . 4_545 ?
N2 N1 N5 K14 39(3) . . . 4 ?
N10 N6 N7 K8 -76.9(19) . . . 2_665 ?
N10 N6 N7 K7 142.3(13) . . . 2_665 ?
N10 N6 N7 N8 -4(2) . . . . ?
N10 N6 N7 K12 161.0(19) . . . 2_665 ?
N10 N9 N8 K8 103.8(16) . . . 2_665 ?
N10 N9 N8 K3 -149.2(14) . . . 4_545 ?
N10 N9 N8 N7 0(2) . . . . ?
N10 N9 N8 K12 -17(3) . . . 2_665 ?
N10 N9 N8 K14 -138.3(17) . . . 4_545 ?
N5 N1 N2 K7 -104.9(16) . . . 2_675 ?
N5 N1 N2 N3 1(2) . . . . ?
N5 N4 N3 K8 -146.7(13) . . . 2_665 ?
N5 N4 N3 K7 75(2) . . . 2_675 ?
N5 N4 N3 N2 1(2) . . . . ?
N5 N4 N3 K11 -164.5(17) . . . 2_665 ?
N5 N4 N3 K14 143(3) . . . 4 ?
N7 N6 N10 K4 75(3) . . . 4_545 ?
N7 N6 N10 K1 -127.8(13) . . . 1_545 ?
N7 N6 N10 N9 4(2) . . . . ?
N7 N6 N10 K9 -117.3(17) . . . 1_545 ?
N7 N6 N10 K13 52(5) . . . 4_545 ?
N3 N4 N5 K4 132.1(14) . . . 4_545 ?
N3 N4 N5 N1 -1(2) . . . . ?
N3 N4 N5 K13 120.8(17) . . . 4_545 ?
N3 N4 N5 K14 -150(2) . . . 4 ?
N8 N9 N10 K4 -151.5(15) . . . 4_545 ?
N8 N9 N10 K1 104.4(15) . . . 1_545 ?
N8 N9 N10 N6 -2(2) . . . . ?
N8 N9 N10 K9 97.9(16) . . . 1_545 ?
N8 N9 N10 K13 -164(2) . . . 4_545 ?
K9 O9 C9 K6 -107.6(13) . . . 1_545 ?
K9 O9 C9 O10 -123.5(16) . . . . ?
K9 O9 C9 C10 48.0(18) . . . . ?
K9 O1 C2 K6 -102(3) . . . 1_545 ?
K9 O1 C2 O2 -91(3) . . . . ?
K9 O1 C2 C1 102(3) . . . . ?
K9 F9 C6 F7 -114.6(18) 4_554 . . . ?
K9 F9 C6 F8 0(2) 4_554 . . . ?
K9 F9 C6 C5 119.6(18) 4_554 . . . ?
K9 F9 C6 K13 18(2) 4_554 . . 1_565 ?
K9 N1 N2 N3 152(3) . . . . ?
K9 N1 N5 N4 -166.0(18) . . . . ?
K9 N1 N5 K13 97.1(19) . . . 4_545 ?
K9 N1 N5 K14 -127(2) . . . 4 ?
K10 O3 C3 K6 -171.1(18) 1_565 . . . ?
K10 O3 C3 O4 122.4(18) 1_565 . . . ?
K10 O3 C3 C4 -50(2) 1_565 . . . ?
K10 F12 C7 F10 111.4(19) 2_664 . . . ?
K10 F12 C7 F11 -2(2) 2_664 . . . ?
K10 F12 C7 C8 -118.4(19) 2_664 . . . ?
K10 F12 C7 K12 -26.4(19) 2_664 . . . ?
K10 F4 C4 F6 -118.3(12) 1_565 . . . ?
K10 F4 C4 F5 131.2(10) 1_565 . . . ?
K10 F4 C4 C3 11.5(16) 1_565 . . . ?
K10 F4 C4 K11 105.1(14) 1_565 . . 1_565 ?
K10 O12 C12 K5 106(3) . . . 1_545 ?
K10 O12 C12 K6 49(3) . . . 1_545 ?
K10 O12 C12 O11 89(3) . . . . ?
K10 O12 C12 C11 -97(3) . . . . ?
K10 F2 C1 F3 137(3) 1_565 . . . ?
K10 F2 C1 F1 -109(3) 1_565 . . . ?
K10 F2 C1 C2 14(4) 1_565 . . . ?
K10 N6 N10 N9 -155(2) . . . . ?
K10 N6 N10 K9 84(2) . . . 1_545 ?
K10 N6 N10 K13 -107(5) . . . 4_545 ?
K10 N6 N7 N8 150.2(19) . . . . ?
K10 N6 N7 K12 -45(3) . . . 2_665 ?
K12 O5 C5 K6 -173.0(16) . . . . ?
K12 O5 C5 O6 120.1(16) . . . . ?
K12 O5 C5 C6 -52.7(17) . . . . ?
K12 O4 C3 K6 40(3) . . . . ?
K12 O4 C3 O3 82(3) . . . . ?
K12 O4 C3 C4 -106(3) . . . . ?
K12 F1 C1 F3 109.0(16) 2_675 . . . ?
K12 F1 C1 F2 -4.6(15) 2_675 . . . ?
K12 F1 C1 C2 -122.2(15) 2_675 . . . ?
K12 F1 C1 K10 -29.1(17) 2_675 . . 1_565 ?
K12 N6 N10 N9 22(3) 2_665 . . . ?
K12 N6 N10 K9 -99(2) 2_665 . . 1_545 ?
K12 N6 N10 K13 70(6) 2_665 . . 4_545 ?
K12 N6 N7 N8 -165(2) 2_665 . . . ?
K12 N7 N8 N9 -162.5(17) 2_665 . . . ?
K12 N7 N8 K14 -65(3) 2_665 . . 4_545 ?
K11 O2 C2 K6 -105.1(17) . . . 1_545 ?
K11 O2 C2 O1 -117.2(18) . . . . ?
K11 O2 C2 C1 50(2) . . . . ?
K11 F14 C10 F15 109.1(17) 3_465 . . . ?
K11 F14 C10 F13 -3.5(19) 3_465 . . . ?
K11 F14 C10 C9 -122.8(16) 3_465 . . . ?
K11 F14 C10 K14 -29.5(19) 3_465 . . 1_565 ?
K11 O8 C8 K6 -95(3) . . . 1_545 ?
K11 O8 C8 O7 -82(3) . . . . ?
K11 O8 C8 C7 110(3) . . . . ?
K11 F5 C4 F4 -114(3) 1_565 . . . ?
K11 F5 C4 F6 132(3) 1_565 . . . ?
K11 F5 C4 C3 9(3) 1_565 . . . ?
K11 N4 N5 N1 -17(3) 2_665 . . . ?
K11 N4 N5 K13 105(2) 2_665 . . 4_545 ?
K11 N4 N5 K14 -166(3) 2_665 . . 4 ?
K11 N4 N3 N2 166(3) 2_665 . . . ?
K11 N4 N3 K14 -52(3) 2_665 . . 4 ?
K13 O7 C8 K6 -108.3(14) . . . 1_545 ?
K13 O7 C8 O8 -122.3(16) . . . . ?
K13 O7 C8 C7 45.2(18) . . . . ?
K13 O10 C9 K6 -107(3) . . . 1_545 ?
K13 O10 C9 O9 -92(3) . . . . ?
K13 O10 C9 C10 96(3) . . . . ?
K13 F17 C11 F18 -118.1(14) 4_545 . . . ?
K13 F17 C11 C12 119.3(13) 4_545 . . . ?
K13 F17 C11 F16A -6(2) 4_545 . . . ?
K13 F8 C6 F7 -104(2) 1_565 . . . ?
K13 F8 C6 F9 142(2) 1_565 . . . ?
K13 F8 C6 C5 20(3) 1_565 . . . ?
K13 N9 N10 N6 161.5(19) 4_545 . . . ?
K13 N9 N10 K9 -98.4(17) 4_545 . . 1_545 ?
K13 N9 N8 N7 -144(3) 4_545 . . . ?
K13 N9 N8 K12 -160(3) 4_545 . . 2_665 ?
K13 N9 N8 K14 78(4) 4_545 . . 4_545 ?
K14 O11 C12 K5 106.0(15) . . . 1_545 ?
K14 O11 C12 K6 -170.1(17) . . . 1_545 ?
K14 O11 C12 O12 124.0(16) . . . . ?
K14 O11 C12 C11 -49.5(19) . . . . ?
K14 F6 C4 F4 -108.6(15) 3_565 . . . ?
K14 F6 C4 F5 2.6(16) 3_565 . . . ?
K14 F6 C4 C3 122.0(14) 3_565 . . . ?
K14 F6 C4 K11 24.8(18) 3_565 . . 1_565 ?
K14 O6 C5 K6 47(2) 1_565 . . . ?
K14 O6 C5 O5 88(3) 1_565 . . . ?
K14 O6 C5 C6 -99(2) 1_565 . . . ?
K14 F13 C10 F15 150(3) 1_565 . . . ?
K14 F13 C10 F14 -96(3) 1_565 . . . ?
K14 F13 C10 C9 29(3) 1_565 . . . ?
K14 N4 N5 N1 149.0(18) 4 . . . ?
K14 N4 N5 K13 -89.1(17) 4 . . 4_545 ?
K14 N4 N3 N2 -141.9(18) 4 . . . ?
K14 N4 N3 K11 52(3) 4 . . 2_665 ?

_olex2_submission_special_instructions 'No special instructions were received'
