#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:34:49 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179452 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/49/4334990.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_4334990
loop_
_publ_author_name
'Keith Searles'
'Atanu K. Das'
'René W. Buell'
'Maren Pink'
'Chun-Hsing Chen'
'Kuntal Pal'
'David Gene Morgan'
'Daniel J. Mindiola'
'Kenneth G. Caulton'
_publ_section_title
;
 Correction to 2,2'-Pyridylpyrrolide Ligand Redistribution Following
 Reduction
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6231
_journal_page_last               6231
_journal_paper_doi               10.1021/ic401081m
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C80 H46 F36 Fe2 K2 N12'
_chemical_formula_weight         2049.19
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_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                 114.266(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   32.8931(11)
_cell_length_b                   10.0070(4)
_cell_length_c                   27.0087(9)
_cell_measurement_reflns_used    5609
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      63.21
_cell_measurement_theta_min      4.66
_cell_volume                     8104.7(5)
_computing_cell_refinement       'APEX II v2010.11.3 (Bruker, 2010)'
_computing_data_collection       'APEX II v2010.11.3 (Bruker, 2010)'
_computing_data_reduction        'APEX II v2010.11.3 (Bruker, 2010)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2010)'
_computing_publication_material  'SHELXTL (Bruker, 2010)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2010)'
_computing_structure_solution    'SIR-2004 (Burla et al., 2005)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 83.33
_diffrn_detector_type            'Bruker APEXII'
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_details
'0.30 degree frames measured for 30 seconds each'
_diffrn_measurement_device       'APEX Kappa Duo'
_diffrn_measurement_device_type  Kappa
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0649
_diffrn_reflns_av_sigmaI/netI    0.0384
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            45862
_diffrn_reflns_theta_full        66.49
_diffrn_reflns_theta_max         66.49
_diffrn_reflns_theta_min         4.66
_exptl_absorpt_coefficient_mu    5.035
_exptl_absorpt_correction_T_max  0.8240
_exptl_absorpt_correction_T_min  0.7195
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, R. Blessing; 1995'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.679
_exptl_crystal_description       block
_exptl_crystal_F_000             4096
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.404
_refine_diff_density_min         -0.471
_refine_diff_density_rms         0.052
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     613
_refine_ls_number_reflns         7060
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0633
_refine_ls_R_factor_gt           0.0457
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0563P)²+12.3859P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1125
_refine_ls_wR_factor_ref         0.1238
_reflns_number_gt                5428
_reflns_number_total             7060
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic401081m_si_003.cif
_cod_data_source_block           11051
_cod_original_sg_symbol_H-M      'C 1 2/c 1 '
_cod_database_code               4334990
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
Fe1 Fe 0.376713(17) 0.28304(5) 0.415299(17) 0.04353(15) Uani 1 1 d . A .
K1 K 0.34321(3) 0.37670(9) 0.55193(3) 0.0633(2) Uani 1 1 d . . .
F1 F 0.36409(8) -0.0300(3) 0.62499(9) 0.0869(8) Uani 1 1 d . A .
F2 F 0.41265(8) -0.1197(2) 0.60131(9) 0.0712(6) Uani 1 1 d . A .
F3 F 0.42510(7) 0.0723(2) 0.63905(7) 0.0618(5) Uani 1 1 d . A .
F4 F 0.26136(7) 0.1632(3) 0.38388(7) 0.0752(7) Uani 1 1 d . A .
F5 F 0.23840(6) 0.1093(3) 0.44491(9) 0.0740(6) Uani 1 1 d . . .
F6 F 0.26092(7) 0.3096(3) 0.44158(9) 0.0726(6) Uani 1 1 d . A .
N1 N 0.43743(8) 0.2129(3) 0.48046(9) 0.0443(6) Uani 1 1 d . A .
N2 N 0.35325(8) 0.1717(3) 0.46942(9) 0.0429(6) Uani 1 1 d . A .
C1 C 0.47806(11) 0.2307(4) 0.48146(13) 0.0505(8) Uani 1 1 d . . .
H1 H 0.4807 0.2839 0.4538 0.061 Uiso 1 1 calc R . .
C2 C 0.51619(11) 0.1761(4) 0.52037(14) 0.0543(8) Uani 1 1 d . . .
H2 H 0.5446 0.1928 0.5202 0.065 Uiso 1 1 calc R . .
C3 C 0.51191(11) 0.0964(4) 0.55964(13) 0.0559(9) Uani 1 1 d . . .
H3 H 0.5375 0.0558 0.5868 0.067 Uiso 1 1 calc R . .
C4 C 0.47025(11) 0.0761(4) 0.55929(12) 0.0496(8) Uani 1 1 d . A .
H4 H 0.4670 0.0212 0.5861 0.060 Uiso 1 1 calc R . .
C5 C 0.43315(10) 0.1365(3) 0.51947(11) 0.0413(7) Uani 1 1 d . . .
C6 C 0.38749(9) 0.1228(3) 0.51484(11) 0.0399(7) Uani 1 1 d . A .
C7 C 0.37006(10) 0.0618(3) 0.54910(12) 0.0445(7) Uani 1 1 d . A .
C8 C 0.32359(11) 0.0729(3) 0.52304(13) 0.0477(7) Uani 1 1 d . A .
H8 H 0.3018 0.0172 0.5310 0.057 Uiso 1 1 calc R . .
C9 C 0.31491(10) 0.1385(3) 0.47505(12) 0.0458(7) Uani 1 1 d . A .
C10 C 0.39302(12) -0.0032(4) 0.60274(13) 0.0554(9) Uani 1 1 d . . .
C11 C 0.27021(11) 0.1791(4) 0.43604(13) 0.0561(9) Uani 1 1 d . . .
F7 F 0.45159(9) -0.0657(3) 0.26381(10) 0.0876(8) Uani 1 1 d . . .
F8 F 0.43283(7) 0.1304(2) 0.23097(7) 0.0665(6) Uani 1 1 d . . .
F9 F 0.48931(7) 0.1035(3) 0.30676(8) 0.0759(7) Uani 1 1 d . . .
F10 F 0.34312(8) -0.1982(2) 0.34978(9) 0.0712(6) Uani 1 1 d . . .
F11 F 0.37088(7) -0.0922(2) 0.42557(8) 0.0657(6) Uani 1 1 d . . .
F12 F 0.31055(7) -0.0222(2) 0.36171(9) 0.0698(6) Uani 1 1 d . . .
N3 N 0.41236(10) 0.3931(3) 0.37359(10) 0.0535(7) Uani 1 1 d . . .
N4 N 0.38493(8) 0.1378(3) 0.36115(9) 0.0444(6) Uani 1 1 d . . .
C12 C 0.42258(15) 0.5249(4) 0.37901(15) 0.0655(10) Uani 1 1 d . . .
H12 H 0.4141 0.5765 0.4028 0.079 Uiso 1 1 calc R . .
C13 C 0.44448(16) 0.5876(4) 0.35196(15) 0.0731(12) Uani 1 1 d . . .
H13 H 0.4511 0.6803 0.3568 0.088 Uiso 1 1 calc R . .
C14 C 0.45660(15) 0.5123(5) 0.31762(15) 0.0726(12) Uani 1 1 d . . .
H14 H 0.4723 0.5523 0.2988 0.087 Uiso 1 1 calc R . .
C15 C 0.44582(12) 0.3793(4) 0.31073(13) 0.0588(9) Uani 1 1 d . . .
H15 H 0.4533 0.3274 0.2863 0.071 Uiso 1 1 calc R . .
C16 C 0.42393(11) 0.3204(4) 0.33950(12) 0.0485(8) Uani 1 1 d . . .
C17 C 0.41099(10) 0.1797(3) 0.33536(11) 0.0409(7) Uani 1 1 d . . .
C18 C 0.41885(11) 0.0701(4) 0.30751(12) 0.0490(8) Uani 1 1 d . . .
C19 C 0.39614(11) -0.0394(4) 0.31582(12) 0.0486(8) Uani 1 1 d . . .
H19 H 0.3944 -0.1269 0.3015 0.058 Uiso 1 1 calc R . .
C20 C 0.37681(10) 0.0061(3) 0.34920(12) 0.0462(7) Uani 1 1 d . . .
C21 C 0.44800(13) 0.0614(4) 0.27767(14) 0.0606(10) Uani 1 1 d . . .
C22 C 0.35072(11) -0.0740(4) 0.37170(13) 0.0510(8) Uani 1 1 d . . .
F13 F 0.24001(9) 0.6376(3) 0.42983(12) 0.0920(8) Uani 1 1 d . . .
F14 F 0.28227(12) 0.7913(4) 0.4807(2) 0.170(2) Uani 1 1 d . . .
F15 F 0.26536(12) 0.7892(3) 0.3946(2) 0.158(2) Uani 1 1 d . . .
F16 F 0.44811(9) 0.6298(3) 0.56707(10) 0.0885(8) Uani 1 1 d . A .
F17 F 0.46100(8) 0.5055(2) 0.50995(9) 0.0738(6) Uani 1 1 d . A .
F18 F 0.43602(8) 0.4169(2) 0.56448(8) 0.0743(7) Uani 1 1 d . A .
N5 N 0.31385(11) 0.3554(3) 0.35502(11) 0.0612(8) Uani 1 1 d . A .
N6 N 0.36566(12) 0.4712(3) 0.44842(11) 0.0599(8) Uani 1 1 d . . .
C23 C 0.29204(15) 0.3001(5) 0.30659(15) 0.0803(14) Uani 1 1 d . . .
H23 H 0.3049 0.2248 0.2971 0.096 Uiso 1 1 calc R . .
C24 C 0.25161(19) 0.3467(7) 0.26933(17) 0.114(2) Uani 1 1 d . . .
H24 H 0.2372 0.3051 0.2348 0.137 Uiso 1 1 calc R . .
C25 C 0.2327(2) 0.4534(7) 0.28297(19) 0.122(2) Uani 1 1 d . . .
H25 H 0.2045 0.4862 0.2585 0.146 Uiso 1 1 calc R . .
C26 C 0.25503(19) 0.5131(6) 0.3327(2) 0.1012(18) Uani 1 1 d . A .
H26 H 0.2424 0.5884 0.3425 0.121 Uiso 1 1 calc R . .
C27 C 0.29614(15) 0.4637(4) 0.36870(15) 0.0680(11) Uani 1 1 d . . .
C28 C 0.32359(15) 0.5216(4) 0.42141(16) 0.0624(10) Uani 1 1 d . A .
C29 C 0.31692(17) 0.6281(4) 0.4507(2) 0.0758(13) Uani 1 1 d . . .
C30 C 0.35638(18) 0.6467(4) 0.4958(2) 0.0812(15) Uani 1 1 d . A .
H30 H 0.3658 0.7339 0.5153 0.097 Uiso 1 1 calc R . .
C31 C 0.38579(15) 0.5507(4) 0.49337(16) 0.0654(11) Uani 1 1 d . A .
C32 C 0.27662(19) 0.7121(5) 0.4387(3) 0.104(2) Uani 1 1 d . A .
C33 C 0.43173(17) 0.5267(4) 0.53234(17) 0.0718(12) Uani 1 1 d . . .
C1S C 0.3524(6) 0.4135(15) 0.7003(8) 0.082(3) Uani 0.461(7) 1 d PGDU A 1
C2S C 0.3421(5) 0.5460(16) 0.6847(8) 0.087(2) Uani 0.461(7) 1 d PGDU A 1
H2S H 0.3179 0.5883 0.6891 0.105 Uiso 0.461(7) 1 calc PR A 1
C3S C 0.3672(4) 0.6165(10) 0.6627(5) 0.084(3) Uani 0.461(7) 1 d PGDU A 1
H3S H 0.3601 0.7071 0.6521 0.101 Uiso 0.461(7) 1 calc PR A 1
C4S C 0.4025(4) 0.5546(11) 0.6564(5) 0.079(3) Uani 0.461(7) 1 d PGDU A 1
H4S H 0.4196 0.6028 0.6413 0.095 Uiso 0.461(7) 1 calc PR A 1
C5S C 0.4128(5) 0.4221(12) 0.6720(6) 0.088(3) Uani 0.461(7) 1 d PGDU A 1
H5S H 0.4370 0.3798 0.6676 0.106 Uiso 0.461(7) 1 calc PR A 1
C6S C 0.3878(6) 0.3516(10) 0.6939(7) 0.076(3) Uani 0.461(7) 1 d PGDU A 1
H6S H 0.3948 0.2611 0.7046 0.091 Uiso 0.461(7) 1 calc PR A 1
C7S C 0.3245(4) 0.3470(19) 0.7243(5) 0.144(6) Uani 0.461(7) 1 d PDU A 1
H7S1 H 0.2949 0.3887 0.7103 0.216 Uiso 0.461(7) 1 calc PR A 1
H7S2 H 0.3387 0.3562 0.7639 0.216 Uiso 0.461(7) 1 calc PR A 1
H7S3 H 0.3214 0.2520 0.7146 0.216 Uiso 0.461(7) 1 calc PR A 1
C2D C 0.3546(5) 0.5340(15) 0.6795(7) 0.087(2) Uani 0.539(7) 1 d PD A 2
C3D C 0.3894(4) 0.5813(11) 0.6697(5) 0.084(3) Uani 0.539(7) 1 d PD A 2
H3D H 0.3912 0.6738 0.6629 0.101 Uiso 0.539(7) 1 calc PR A 2
C4D C 0.4217(4) 0.4967(11) 0.6698(4) 0.079(3) Uani 0.539(7) 1 d PD A 2
H4D H 0.4464 0.5317 0.6643 0.095 Uiso 0.539(7) 1 calc PR A 2
C5D C 0.4195(5) 0.3641(12) 0.6774(6) 0.088(3) Uani 0.539(7) 1 d PD A 2
H5D H 0.4424 0.3073 0.6768 0.106 Uiso 0.539(7) 1 calc PR A 2
C6D C 0.3850(6) 0.3106(12) 0.6858(6) 0.076(3) Uani 0.539(7) 1 d PD A 2
H6D H 0.3831 0.2169 0.6899 0.091 Uiso 0.539(7) 1 calc PR A 2
C1D C 0.3528(6) 0.3953(15) 0.6881(7) 0.082(3) Uani 0.539(7) 1 d PD A 2
H1D H 0.3291 0.3600 0.6956 0.099 Uiso 0.539(7) 1 calc PR A 2
C7D C 0.3203(5) 0.619(2) 0.6891(8) 0.258(15) Uani 0.539(7) 1 d PD A 2
H7D1 H 0.3349 0.6985 0.7103 0.388 Uiso 0.539(7) 1 calc PR A 2
H7D2 H 0.3066 0.5673 0.7090 0.388 Uiso 0.539(7) 1 calc PR A 2
H7D3 H 0.2971 0.6474 0.6540 0.388 Uiso 0.539(7) 1 calc PR A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables 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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.3868 1.0657 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe -1.1336 3.1974 '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
N4 Fe1 N5 93.59(10) . .
N4 Fe1 N1 90.11(9) . .
N5 Fe1 N1 175.38(10) . .
N4 Fe1 N6 161.76(10) . .
N5 Fe1 N6 75.55(12) . .
N1 Fe1 N6 101.56(11) . .
N4 Fe1 N2 106.46(10) . .
N5 Fe1 N2 100.41(11) . .
N1 Fe1 N2 75.85(9) . .
N6 Fe1 N2 90.10(10) . .
N4 Fe1 N3 75.58(10) . .
N5 Fe1 N3 89.59(11) . .
N1 Fe1 N3 94.02(10) . .
N6 Fe1 N3 89.52(11) . .
N2 Fe1 N3 169.57(10) . .
F5 K1 F18 166.77(8) 7_556 .
F5 K1 C9 91.88(8) 7_556 .
F18 K1 C9 101.33(7) . .
F5 K1 C31 130.90(11) 7_556 .
F18 K1 C31 46.36(10) . .
C9 K1 C31 99.79(9) . .
F5 K1 C8 87.32(9) 7_556 .
F18 K1 C8 104.91(8) . .
C9 K1 C8 25.61(8) . .
C31 K1 C8 120.99(9) . .
F5 K1 C5S 105.7(2) 7_556 .
F18 K1 C5S 65.2(2) . .
C9 K1 C5S 134.9(2) . .
C31 K1 C5S 99.0(3) . .
C8 K1 C5S 112.7(2) . .
F5 K1 N2 116.60(7) 7_556 .
F18 K1 N2 76.46(6) . .
C9 K1 N2 25.54(7) . .
C31 K1 N2 78.51(9) . .
C8 K1 N2 42.50(7) . .
C5S K1 N2 125.56(18) . .
F5 K1 F6 64.43(6) 7_556 .
F18 K1 F6 125.41(6) . .
C9 K1 F6 44.67(7) . .
C31 K1 F6 91.72(9) . .
C8 K1 F6 63.38(8) . .
C5S K1 F6 168.8(2) . .
N2 K1 F6 59.53(6) . .
F5 K1 C30 107.27(11) 7_556 .
F18 K1 C30 66.84(11) . .
C9 K1 C30 113.55(10) . .
C31 K1 C30 25.36(11) . .
C8 K1 C30 138.68(10) . .
C5S K1 C30 100.5(3) . .
N2 K1 C30 98.09(9) . .
F6 K1 C30 87.89(11) . .
F5 K1 C4S 101.18(18) 7_556 .
F18 K1 C4S 66.41(17) . .
C9 K1 C4S 159.0(2) . .
C31 K1 C4S 84.07(18) . .
C8 K1 C4S 137.8(2) . .
C5S K1 C4S 25.18(10) . .
N2 K1 C4S 141.04(19) . .
F6 K1 C4S 156.3(2) . .
C30 K1 C4S 78.3(2) . .
F5 K1 C7 109.17(8) 7_556 .
F18 K1 C7 81.85(7) . .
C9 K1 C7 40.73(8) . .
C31 K1 C7 110.51(10) . .
C8 K1 C7 25.06(8) . .
C5S K1 C7 94.2(2) . .
N2 K1 C7 41.36(7) . .
F6 K1 C7 84.76(7) . .
C30 K1 C7 134.97(9) . .
C4S K1 C7 118.6(2) . .
F5 K1 C6 128.02(8) 7_556 .
F18 K1 C6 64.77(7) . .
C9 K1 C6 40.15(8) . .
C31 K1 C6 85.86(9) . .
C8 K1 C6 41.09(8) . .
C5S K1 C6 101.55(18) . .
N2 K1 C6 24.49(7) . .
F6 K1 C6 82.16(6) . .
C30 K1 C6 110.13(9) . .
C4S K1 C6 120.6(2) . .
C7 K1 C6 24.83(7) . .
C11 F5 K1 145.0(2) . 7_556
C11 F6 K1 99.37(17) . .
C1 N1 C5 118.8(3) . .
C1 N1 Fe1 123.6(2) . .
C5 N1 Fe1 117.3(2) . .
C6 N2 C9 105.6(2) . .
C6 N2 Fe1 112.93(19) . .
C9 N2 Fe1 141.3(2) . .
C6 N2 K1 83.42(16) . .
C9 N2 K1 73.17(16) . .
Fe1 N2 K1 107.82(10) . .
N1 C1 C2 123.5(3) . .
N1 C1 H1 118.2 . .
C2 C1 H1 118.2 . .
C1 C2 C3 117.9(3) . .
C1 C2 H2 121.1 . .
C3 C2 H2 121.1 . .
C2 C3 C4 119.6(3) . .
C2 C3 H3 120.2 . .
C4 C3 H3 120.2 . .
C3 C4 C5 119.6(3) . .
C3 C4 H4 120.2 . .
C5 C4 H4 120.2 . .
N1 C5 C4 120.5(3) . .
N1 C5 C6 114.7(3) . .
C4 C5 C6 124.8(3) . .
N2 C6 C7 109.6(3) . .
N2 C6 C5 118.7(3) . .
C7 C6 C5 131.6(3) . .
N2 C6 K1 72.09(16) . .
C7 C6 K1 77.53(18) . .
C5 C6 K1 118.1(2) . .
C8 C7 C6 106.8(3) . .
C8 C7 C10 122.6(3) . .
C6 C7 C10 130.5(3) . .
C8 C7 K1 71.74(19) . .
C6 C7 K1 77.64(19) . .
C10 C7 K1 115.7(2) . .
C9 C8 C7 105.8(3) . .
C9 C8 K1 73.4(2) . .
C7 C8 K1 83.2(2) . .
C9 C8 H8 125.4 . .
C7 C8 H8 125.4 . .
K1 C8 H8 125.4 . .
N2 C9 C8 112.1(3) . .
N2 C9 C11 123.2(3) . .
C8 C9 C11 124.5(3) . .
N2 C9 K1 81.29(17) . .
C8 C9 K1 81.00(19) . .
C11 C9 K1 102.0(2) . .
F3 C10 F2 105.6(3) . .
F3 C10 F1 105.9(3) . .
F2 C10 F1 106.1(3) . .
F3 C10 C7 113.5(3) . .
F2 C10 C7 114.3(3) . .
F1 C10 C7 110.8(3) . .
F4 C11 F5 106.1(3) . .
F4 C11 F6 105.7(3) . .
F5 C11 F6 104.5(3) . .
F4 C11 C9 116.5(3) . .
F5 C11 C9 110.3(3) . .
F6 C11 C9 112.9(3) . .
C16 N3 C12 118.2(3) . .
C16 N3 Fe1 115.8(2) . .
C12 N3 Fe1 125.9(2) . .
C20 N4 C17 106.2(3) . .
C20 N4 Fe1 138.5(2) . .
C17 N4 Fe1 114.6(2) . .
N3 C12 C13 123.3(4) . .
N3 C12 H12 118.3 . .
C13 C12 H12 118.3 . .
C12 C13 C14 118.1(4) . .
C12 C13 H13 121.0 . .
C14 C13 H13 121.0 . .
C15 C14 C13 119.5(4) . .
C15 C14 H14 120.2 . .
C13 C14 H14 120.2 . .
C14 C15 C16 120.1(3) . .
C14 C15 H15 120.0 . .
C16 C15 H15 120.0 . .
N3 C16 C15 120.7(3) . .
N3 C16 C17 114.7(3) . .
C15 C16 C17 124.6(3) . .
N4 C17 C18 108.8(3) . .
N4 C17 C16 118.6(3) . .
C18 C17 C16 132.6(3) . .
C19 C18 C17 107.3(3) . .
C19 C18 C21 123.2(3) . .
C17 C18 C21 129.4(3) . .
C20 C19 C18 105.5(3) . .
C20 C19 H19 127.2 . .
C18 C19 H19 127.2 . .
N4 C20 C19 112.2(3) . .
N4 C20 C22 121.4(3) . .
C19 C20 C22 126.4(3) . .
F9 C21 F8 106.7(3) . .
F9 C21 F7 106.2(3) . .
F8 C21 F7 105.5(3) . .
F9 C21 C18 113.0(3) . .
F8 C21 C18 113.9(3) . .
F7 C21 C18 110.9(3) . .
F12 C22 F11 106.2(3) . .
F12 C22 F10 106.1(3) . .
F11 C22 F10 105.7(3) . .
F12 C22 C20 113.5(3) . .
F11 C22 C20 114.1(3) . .
F10 C22 C20 110.6(3) . .
C33 F18 K1 101.7(2) . .
C23 N5 C27 119.0(3) . .
C23 N5 Fe1 124.4(3) . .
C27 N5 Fe1 116.7(3) . .
C28 N6 C31 105.8(3) . .
C28 N6 Fe1 113.7(2) . .
C31 N6 Fe1 139.7(3) . .
C28 N6 K1 91.60(19) . .
C31 N6 K1 67.20(17) . .
Fe1 N6 K1 103.45(11) . .
N5 C23 C24 123.2(4) . .
N5 C23 H23 118.4 . .
C24 C23 H23 118.4 . .
C25 C24 C23 118.6(5) . .
C25 C24 H24 120.7 . .
C23 C24 H24 120.7 . .
C24 C25 C26 119.1(5) . .
C24 C25 H25 120.4 . .
C26 C25 H25 120.4 . .
C25 C26 C27 120.2(5) . .
C25 C26 H26 119.9 . .
C27 C26 H26 119.9 . .
N5 C27 C26 119.8(4) . .
N5 C27 C28 115.0(4) . .
C26 C27 C28 125.2(4) . .
N6 C28 C29 109.8(4) . .
N6 C28 C27 117.4(3) . .
C29 C28 C27 132.7(4) . .
C30 C29 C28 107.1(4) . .
C30 C29 C32 123.0(4) . .
C28 C29 C32 129.9(5) . .
C29 C30 C31 106.6(4) . .
C29 C30 K1 92.5(2) . .
C31 C30 K1 70.8(2) . .
C29 C30 H30 124.0 . .
C31 C30 H30 124.0 . .
K1 C30 H30 124.0 . .
N6 C31 C30 110.6(4) . .
N6 C31 C33 121.4(4) . .
C30 C31 C33 127.9(4) . .
N6 C31 K1 88.3(2) . .
C30 C31 K1 83.8(2) . .
C33 C31 K1 95.3(2) . .
F14 C32 F15 107.8(5) . .
F14 C32 F13 106.4(4) . .
F15 C32 F13 105.0(5) . .
F14 C32 C29 110.6(6) . .
F15 C32 C29 114.5(4) . .
F13 C32 C29 112.1(4) . .
F17 C33 F16 106.1(3) . .
F17 C33 F18 104.5(4) . .
F16 C33 F18 105.3(3) . .
F17 C33 C31 114.8(3) . .
F16 C33 C31 112.0(4) . .
F18 C33 C31 113.2(3) . .
F17 C33 K1 142.3(2) . .
F16 C33 K1 110.0(2) . .
F18 C33 K1 55.73(18) . .
C31 C33 K1 60.15(19) . .
C2S C1S C6S 120.0 . .
C2S C1S C7S 116.3(12) . .
C6S C1S C7S 123.7(12) . .
C1S C2S C3S 120.0 . .
C1S C2S H2S 120.0 . .
C3S C2S H2S 120.0 . .
C4S C3S C2S 120.0 . .
C4S C3S H3S 120.0 . .
C2S C3S H3S 120.0 . .
C3S C4S C5S 120.0 . .
C3S C4S K1 96.8(6) . .
C5S C4S K1 73.9(5) . .
C3S C4S H4S 120.0 . .
C5S C4S H4S 120.0 . .
K1 C4S H4S 99.1 . .
C4S C5S C6S 120.0 . .
C4S C5S K1 80.9(5) . .
C6S C5S K1 93.4(6) . .
C4S C5S H5S 120.0 . .
C6S C5S H5S 120.0 . .
K1 C5S H5S 95.7 . .
C5S C6S C1S 120.0 . .
C5S C6S K1 63.3(5) . .
C1S C6S K1 96.2(6) . .
C5S C6S H6S 120.0 . .
C1S C6S H6S 120.0 . .
K1 C6S H6S 109.9 . .
C3D C2D C1D 117.9(9) . .
C3D C2D C7D 125.5(13) . .
C1D C2D C7D 116.2(13) . .
C4D C3D C2D 120.2(9) . .
C4D C3D H3D 119.9 . .
C2D C3D H3D 119.9 . .
C5D C4D C3D 121.5(10) . .
C5D C4D K1 74.1(8) . .
C3D C4D K1 85.8(7) . .
C5D C4D H4D 119.3 . .
C3D C4D H4D 119.3 . .
K1 C4D H4D 110.8 . .
C4D C5D C6D 121.0(10) . .
C4D C5D K1 82.6(8) . .
C6D C5D K1 81.4(7) . .
C4D C5D H5D 119.5 . .
C6D C5D H5D 119.5 . .
K1 C5D H5D 106.4 . .
C5D C6D C1D 118.5(10) . .
C5D C6D K1 75.1(7) . .
C1D C6D K1 86.9(6) . .
C5D C6D H6D 120.7 . .
C1D C6D H6D 120.7 . .
K1 C6D H6D 107.7 . .
C6D C1D C2D 120.8(9) . .
C6D C1D H1D 119.6 . .
C2D C1D H1D 119.6 . .
C2D C7D H7D1 109.5 . .
C2D C7D H7D2 109.5 . .
H7D1 C7D H7D2 109.5 . .
C2D C7D H7D3 109.5 . .
H7D1 C7D H7D3 109.5 . .
H7D2 C7D H7D3 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Fe1 N4 2.156(3) .
Fe1 N5 2.164(3) .
Fe1 N1 2.166(3) .
Fe1 N6 2.179(3) .
Fe1 N2 2.214(3) .
Fe1 N3 2.223(3) .
K1 F5 2.724(2) 7_556
K1 F18 2.958(2) .
K1 C9 3.045(3) .
K1 C31 3.052(4) .
K1 C8 3.139(4) .
K1 C5S 3.140(16) .
K1 N2 3.145(3) .
K1 F6 3.167(2) .
K1 C30 3.213(4) .
K1 C4S 3.226(12) .
K1 C7 3.282(3) .
K1 C6 3.283(3) .
F1 C10 1.345(4) .
F2 C10 1.341(4) .
F3 C10 1.340(4) .
F4 C11 1.326(4) .
F5 C11 1.359(4) .
F5 K1 2.724(2) 7_556
F6 C11 1.364(5) .
N1 C1 1.338(4) .
N1 C5 1.355(4) .
N2 C6 1.370(4) .
N2 C9 1.371(4) .
C1 C2 1.375(5) .
C1 H1 0.9500 .
C2 C3 1.380(5) .
C2 H2 0.9500 .
C3 C4 1.381(5) .
C3 H3 0.9500 .
C4 C5 1.390(4) .
C4 H4 0.9500 .
C5 C6 1.461(4) .
C6 C7 1.412(4) .
C7 C8 1.400(4) .
C7 C10 1.481(5) .
C8 C9 1.374(4) .
C8 H8 1.0000 .
C9 C11 1.471(5) .
F7 C21 1.344(5) .
F8 C21 1.342(4) .
F9 C21 1.328(4) .
F10 C22 1.355(4) .
F11 C22 1.340(4) .
F12 C22 1.340(4) .
N3 C16 1.346(4) .
N3 C12 1.354(5) .
N4 C20 1.357(4) .
N4 C17 1.374(4) .
C12 C13 1.371(5) .
C12 H12 0.9500 .
C13 C14 1.375(6) .
C13 H13 0.9500 .
C14 C15 1.370(6) .
C14 H14 0.9500 .
C15 C16 1.389(5) .
C15 H15 0.9500 .
C16 C17 1.461(5) .
C17 C18 1.412(5) .
C18 C19 1.395(5) .
C18 C21 1.487(5) .
C19 C20 1.377(4) .
C19 H19 0.9500 .
C20 C22 1.475(5) .
F13 C32 1.351(5) .
F14 C32 1.332(6) .
F15 C32 1.338(8) .
F16 C33 1.348(4) .
F17 C33 1.348(4) .
F18 C33 1.371(5) .
N5 C23 1.327(5) .
N5 C27 1.351(5) .
N6 C28 1.368(5) .
N6 C31 1.373(5) .
C23 C24 1.378(6) .
C23 H23 0.9500 .
C24 C25 1.359(8) .
C24 H24 0.9500 .
C25 C26 1.374(8) .
C25 H25 0.9500 .
C26 C27 1.392(6) .
C26 H26 0.9500 .
C27 C28 1.457(6) .
C28 C29 1.397(5) .
C29 C30 1.381(7) .
C29 C32 1.489(7) .
C30 C31 1.384(6) .
C30 H30 1.0000 .
C31 C33 1.463(6) .
C1S C2S 1.3900 .
C1S C6S 1.3900 .
C1S C7S 1.482(12) .
C2S C3S 1.3900 .
C2S H2S 0.9500 .
C3S C4S 1.3900 .
C3S H3S 0.9500 .
C4S C5S 1.3900 .
C4S H4S 0.9500 .
C5S C6S 1.3900 .
C5S H5S 0.9500 .
C6S H6S 0.9500 .
C7S H7S1 0.9800 .
C7S H7S2 0.9800 .
C7S H7S3 0.9800 .
C2D C3D 1.363(13) .
C2D C1D 1.412(12) .
C2D C7D 1.520(14) .
C3D C4D 1.356(12) .
C3D H3D 0.9500 .
C4D C5D 1.350(12) .
C4D H4D 0.9500 .
C5D C6D 1.354(12) .
C5D H5D 0.9500 .
C6D C1D 1.379(11) .
C6D H6D 0.9500 .
C1D H1D 0.9500 .
C7D H7D1 0.9800 .
C7D H7D2 0.9800 .
C7D H7D3 0.9800 .
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
F5 K1 F6 C11 -116.08(19) 7_556
F18 K1 F6 C11 74.2(2) .
C9 K1 F6 C11 6.32(18) .
C31 K1 F6 C11 108.54(19) .
C8 K1 F6 C11 -15.60(18) .
C5S K1 F6 C11 -87.3(10) .
N2 K1 F6 C11 32.95(17) .
C30 K1 F6 C11 133.61(19) .
C4S K1 F6 C11 -172.3(4) .
C7 K1 F6 C11 -1.91(18) .
C6 K1 F6 C11 22.96(18) .
N4 Fe1 N1 C1 68.9(3) .
N5 Fe1 N1 C1 -147.9(14) .
N6 Fe1 N1 C1 -97.0(3) .
N2 Fe1 N1 C1 175.8(3) .
N3 Fe1 N1 C1 -6.7(3) .
N4 Fe1 N1 C5 -104.9(2) .
N5 Fe1 N1 C5 38.3(16) .
N6 Fe1 N1 C5 89.2(2) .
N2 Fe1 N1 C5 2.1(2) .
N3 Fe1 N1 C5 179.6(2) .
N4 Fe1 N2 C6 88.1(2) .
N5 Fe1 N2 C6 -175.0(2) .
N1 Fe1 N2 C6 2.2(2) .
N6 Fe1 N2 C6 -99.7(2) .
N3 Fe1 N2 C6 -11.8(7) .
N4 Fe1 N2 C9 -96.5(3) .
N5 Fe1 N2 C9 0.4(4) .
N1 Fe1 N2 C9 177.7(4) .
N6 Fe1 N2 C9 75.8(3) .
N3 Fe1 N2 C9 163.7(5) .
N4 Fe1 N2 K1 178.38(9) .
N5 Fe1 N2 K1 -84.69(11) .
N1 Fe1 N2 K1 92.54(10) .
N6 Fe1 N2 K1 -9.37(11) .
N3 Fe1 N2 K1 78.5(6) .
F5 K1 N2 C6 -124.23(17) 7_556
F18 K1 N2 C6 58.07(17) .
C9 K1 N2 C6 -108.5(3) .
C31 K1 N2 C6 105.58(19) .
C8 K1 N2 C6 -72.82(18) .
C5S K1 N2 C6 12.6(3) .
F6 K1 N2 C6 -155.50(19) .
C30 K1 N2 C6 121.78(19) .
C4S K1 N2 C6 40.3(4) .
C7 K1 N2 C6 -34.97(17) .
F5 K1 N2 C9 -15.69(19) 7_556
F18 K1 N2 C9 166.61(18) .
C31 K1 N2 C9 -145.9(2) .
C8 K1 N2 C9 35.72(18) .
C5S K1 N2 C9 121.2(3) .
F6 K1 N2 C9 -46.96(17) .
C30 K1 N2 C9 -129.7(2) .
C4S K1 N2 C9 148.9(3) .
C7 K1 N2 C9 73.57(19) .
C6 K1 N2 C9 108.5(3) .
F5 K1 N2 Fe1 123.76(10) 7_556
F18 K1 N2 Fe1 -53.95(9) .
C9 K1 N2 Fe1 139.4(2) .
C31 K1 N2 Fe1 -6.44(12) .
C8 K1 N2 Fe1 175.16(15) .
C5S K1 N2 Fe1 -99.4(3) .
F6 K1 N2 Fe1 92.48(10) .
C30 K1 N2 Fe1 9.77(14) .
C4S K1 N2 Fe1 -71.7(3) .
C7 K1 N2 Fe1 -146.98(15) .
C6 K1 N2 Fe1 -112.0(2) .
C5 N1 C1 C2 -0.4(5) .
Fe1 N1 C1 C2 -174.1(3) .
N1 C1 C2 C3 1.5(5) .
C1 C2 C3 C4 -1.1(5) .
C2 C3 C4 C5 -0.2(5) .
C1 N1 C5 C4 -1.0(4) .
Fe1 N1 C5 C4 173.1(2) .
C1 N1 C5 C6 -179.9(3) .
Fe1 N1 C5 C6 -5.8(3) .
C3 C4 C5 N1 1.3(5) .
C3 C4 C5 C6 -179.9(3) .
C9 N2 C6 C7 -1.3(3) .
Fe1 N2 C6 C7 175.8(2) .
K1 N2 C6 C7 69.1(2) .
C9 N2 C6 C5 176.8(3) .
Fe1 N2 C6 C5 -6.2(3) .
K1 N2 C6 C5 -112.8(3) .
C9 N2 C6 K1 -70.4(2) .
Fe1 N2 C6 K1 106.61(15) .
N1 C5 C6 N2 8.1(4) .
C4 C5 C6 N2 -170.8(3) .
N1 C5 C6 C7 -174.3(3) .
C4 C5 C6 C7 6.8(5) .
N1 C5 C6 K1 -75.9(3) .
C4 C5 C6 K1 105.2(3) .
F5 K1 C6 N2 69.79(19) 7_556
F18 K1 C6 N2 -114.21(18) .
C9 K1 C6 N2 39.33(17) .
C31 K1 C6 N2 -71.16(18) .
C8 K1 C6 N2 79.12(18) .
C5S K1 C6 N2 -169.5(3) .
F6 K1 C6 N2 21.15(16) .
C30 K1 C6 N2 -63.7(2) .
C4S K1 C6 N2 -151.8(2) .
C7 K1 C6 N2 115.6(3) .
F5 K1 C6 C7 -45.83(19) 7_556
F18 K1 C6 C7 130.17(18) .
C9 K1 C6 C7 -76.29(19) .
C31 K1 C6 C7 173.21(19) .
C8 K1 C6 C7 -36.51(17) .
C5S K1 C6 C7 74.8(3) .
N2 K1 C6 C7 -115.6(3) .
F6 K1 C6 C7 -94.48(17) .
C30 K1 C6 C7 -179.31(19) .
C4S K1 C6 C7 92.6(3) .
F5 K1 C6 C5 -176.61(18) 7_556
F18 K1 C6 C5 -0.61(19) .
C9 K1 C6 C5 152.9(3) .
C31 K1 C6 C5 42.4(2) .
C8 K1 C6 C5 -167.3(3) .
C5S K1 C6 C5 -55.9(3) .
N2 K1 C6 C5 113.6(3) .
F6 K1 C6 C5 134.7(2) .
C30 K1 C6 C5 49.9(2) .
C4S K1 C6 C5 -38.2(3) .
C7 K1 C6 C5 -130.8(3) .
N2 C6 C7 C8 0.7(4) .
C5 C6 C7 C8 -177.0(3) .
K1 C6 C7 C8 66.3(2) .
N2 C6 C7 C10 -178.9(3) .
C5 C6 C7 C10 3.3(6) .
K1 C6 C7 C10 -113.3(4) .
N2 C6 C7 K1 -65.6(2) .
C5 C6 C7 K1 116.6(3) .
F5 K1 C7 C8 30.63(19) 7_556
F18 K1 C7 C8 -156.91(18) .
C9 K1 C7 C8 -38.84(18) .
C31 K1 C7 C8 -119.85(19) .
C5S K1 C7 C8 138.9(3) .
N2 K1 C7 C8 -78.17(19) .
F6 K1 C7 C8 -29.97(18) .
C30 K1 C7 C8 -111.7(2) .
C4S K1 C7 C8 145.7(2) .
C6 K1 C7 C8 -112.6(3) .
F5 K1 C7 C6 143.25(16) 7_556
F18 K1 C7 C6 -44.29(16) .
C9 K1 C7 C6 73.77(18) .
C31 K1 C7 C6 -7.2(2) .
C8 K1 C7 C6 112.6(3) .
C5S K1 C7 C6 -108.5(3) .
N2 K1 C7 C6 34.45(15) .
F6 K1 C7 C6 82.65(17) .
C30 K1 C7 C6 0.9(3) .
C4S K1 C7 C6 -101.7(2) .
F5 K1 C7 C10 -87.5(2) 7_556
F18 K1 C7 C10 85.0(2) .
C9 K1 C7 C10 -157.0(3) .
C31 K1 C7 C10 122.0(2) .
C8 K1 C7 C10 -118.1(3) .
C5S K1 C7 C10 20.7(3) .
N2 K1 C7 C10 163.7(3) .
F6 K1 C7 C10 -148.1(2) .
C30 K1 C7 C10 130.2(2) .
C4S K1 C7 C10 27.5(3) .
C6 K1 C7 C10 129.3(3) .
C6 C7 C8 C9 0.1(4) .
C10 C7 C8 C9 179.8(3) .
K1 C7 C8 C9 70.5(2) .
C6 C7 C8 K1 -70.4(2) .
C10 C7 C8 K1 109.3(3) .
F5 K1 C8 C9 100.00(19) 7_556
F18 K1 C8 C9 -85.12(19) .
C31 K1 C8 C9 -37.4(2) .
C5S K1 C8 C9 -154.1(3) .
N2 K1 C8 C9 -35.60(17) .
F6 K1 C8 C9 37.38(17) .
C30 K1 C8 C9 -13.4(3) .
C4S K1 C8 C9 -156.3(3) .
C7 K1 C8 C9 -108.8(3) .
C6 K1 C8 C9 -72.66(19) .
F5 K1 C8 C7 -151.20(18) 7_556
F18 K1 C8 C7 23.69(19) .
C9 K1 C8 C7 108.8(3) .
C31 K1 C8 C7 71.4(2) .
C5S K1 C8 C7 -45.3(3) .
N2 K1 C8 C7 73.20(18) .
F6 K1 C8 C7 146.2(2) .
C30 K1 C8 C7 95.4(2) .
C4S K1 C8 C7 -47.5(3) .
C6 K1 C8 C7 36.15(16) .
C6 N2 C9 C8 1.4(4) .
Fe1 N2 C9 C8 -174.2(3) .
K1 N2 C9 C8 -76.5(3) .
C6 N2 C9 C11 176.6(3) .
Fe1 N2 C9 C11 1.0(5) .
K1 N2 C9 C11 98.6(3) .
C6 N2 C9 K1 77.9(2) .
Fe1 N2 C9 K1 -97.7(3) .
C7 C8 C9 N2 -1.0(4) .
K1 C8 C9 N2 76.7(2) .
C7 C8 C9 C11 -176.1(3) .
K1 C8 C9 C11 -98.4(3) .
C7 C8 C9 K1 -77.7(2) .
F5 K1 C9 N2 166.00(17) 7_556
F18 K1 C9 N2 -13.28(18) .
C31 K1 C9 N2 33.9(2) .
C8 K1 C9 N2 -114.2(3) .
C5S K1 C9 N2 -79.5(4) .
F6 K1 C9 N2 116.4(2) .
C30 K1 C9 N2 56.2(2) .
C4S K1 C9 N2 -65.1(5) .
C7 K1 C9 N2 -76.26(18) .
C6 K1 C9 N2 -37.55(16) .
F5 K1 C9 C8 -79.82(19) 7_556
F18 K1 C9 C8 100.90(19) .
C31 K1 C9 C8 148.1(2) .
C5S K1 C9 C8 34.7(4) .
N2 K1 C9 C8 114.2(3) .
F6 K1 C9 C8 -129.5(2) .
C30 K1 C9 C8 170.4(2) .
C4S K1 C9 C8 49.0(5) .
C7 K1 C9 C8 37.92(18) .
C6 K1 C9 C8 76.6(2) .
F5 K1 C9 C11 43.7(2) 7_556
F18 K1 C9 C11 -135.5(2) .
C31 K1 C9 C11 -88.4(2) .
C8 K1 C9 C11 123.6(3) .
C5S K1 C9 C11 158.2(4) .
N2 K1 C9 C11 -122.3(3) .
F6 K1 C9 C11 -5.91(17) .
C30 K1 C9 C11 -66.0(2) .
C4S K1 C9 C11 172.6(5) .
C7 K1 C9 C11 161.5(3) .
C6 K1 C9 C11 -159.8(3) .
C8 C7 C10 F3 -128.1(3) .
C6 C7 C10 F3 51.5(5) .
K1 C7 C10 F3 -44.1(3) .
C8 C7 C10 F2 110.7(4) .
C6 C7 C10 F2 -69.7(5) .
K1 C7 C10 F2 -165.3(2) .
C8 C7 C10 F1 -9.0(5) .
C6 C7 C10 F1 170.6(3) .
K1 C7 C10 F1 74.9(3) .
K1 F5 C11 F4 -92.5(4) 7_556
K1 F5 C11 F6 18.9(4) 7_556
K1 F5 C11 C9 140.5(3) 7_556
K1 F6 C11 F4 -138.5(2) .
K1 F6 C11 F5 109.9(2) .
K1 F6 C11 C9 -10.0(3) .
N2 C9 C11 F4 45.8(5) .
C8 C9 C11 F4 -139.7(4) .
K1 C9 C11 F4 133.1(3) .
N2 C9 C11 F5 166.7(3) .
C8 C9 C11 F5 -18.7(5) .
K1 C9 C11 F5 -106.0(3) .
N2 C9 C11 F6 -76.8(4) .
C8 C9 C11 F6 97.7(4) .
K1 C9 C11 F6 10.5(3) .
N4 Fe1 N3 C16 -3.9(2) .
N5 Fe1 N3 C16 -97.7(2) .
N1 Fe1 N3 C16 85.2(2) .
N6 Fe1 N3 C16 -173.3(2) .
N2 Fe1 N3 C16 98.8(6) .
N4 Fe1 N3 C12 175.1(3) .
N5 Fe1 N3 C12 81.3(3) .
N1 Fe1 N3 C12 -95.8(3) .
N6 Fe1 N3 C12 5.7(3) .
N2 Fe1 N3 C12 -82.2(7) .
N5 Fe1 N4 C20 -95.7(3) .
N1 Fe1 N4 C20 81.6(3) .
N6 Fe1 N4 C20 -148.2(4) .
N2 Fe1 N4 C20 6.3(3) .
N3 Fe1 N4 C20 175.7(3) .
N5 Fe1 N4 C17 95.9(2) .
N1 Fe1 N4 C17 -86.9(2) .
N6 Fe1 N4 C17 43.3(5) .
N2 Fe1 N4 C17 -162.17(19) .
N3 Fe1 N4 C17 7.2(2) .
C16 N3 C12 C13 -0.7(6) .
Fe1 N3 C12 C13 -179.7(3) .
N3 C12 C13 C14 0.0(7) .
C12 C13 C14 C15 1.2(7) .
C13 C14 C15 C16 -1.8(6) .
C12 N3 C16 C15 0.1(5) .
Fe1 N3 C16 C15 179.1(3) .
C12 N3 C16 C17 -179.0(3) .
Fe1 N3 C16 C17 0.1(4) .
C14 C15 C16 N3 1.2(6) .
C14 C15 C16 C17 -179.9(3) .
C20 N4 C17 C18 -0.3(3) .
Fe1 N4 C17 C18 171.76(19) .
C20 N4 C17 C16 178.0(3) .
Fe1 N4 C17 C16 -10.0(3) .
N3 C16 C17 N4 6.6(4) .
C15 C16 C17 N4 -172.4(3) .
N3 C16 C17 C18 -175.7(3) .
C15 C16 C17 C18 5.3(5) .
N4 C17 C18 C19 1.3(3) .
C16 C17 C18 C19 -176.6(3) .
N4 C17 C18 C21 -174.3(3) .
C16 C17 C18 C21 7.8(6) .
C17 C18 C19 C20 -1.7(3) .
C21 C18 C19 C20 174.2(3) .
C17 N4 C20 C19 -0.9(3) .
Fe1 N4 C20 C19 -169.9(2) .
C17 N4 C20 C22 178.0(3) .
Fe1 N4 C20 C22 8.9(5) .
C18 C19 C20 N4 1.6(4) .
C18 C19 C20 C22 -177.1(3) .
C19 C18 C21 F9 -123.5(4) .
C17 C18 C21 F9 51.5(5) .
C19 C18 C21 F8 114.5(4) .
C17 C18 C21 F8 -70.6(5) .
C19 C18 C21 F7 -4.3(5) .
C17 C18 C21 F7 170.6(3) .
N4 C20 C22 F12 54.5(4) .
C19 C20 C22 F12 -126.8(3) .
N4 C20 C22 F11 -67.3(4) .
C19 C20 C22 F11 111.4(4) .
N4 C20 C22 F10 173.7(3) .
C19 C20 C22 F10 -7.6(4) .
F5 K1 F18 C33 -72.8(4) 7_556
C9 K1 F18 C33 104.03(19) .
C31 K1 F18 C33 11.25(19) .
C8 K1 F18 C33 130.09(19) .
C5S K1 F18 C33 -121.5(3) .
N2 K1 F18 C33 98.18(19) .
F6 K1 F18 C33 62.4(2) .
C30 K1 F18 C33 -6.92(19) .
C4S K1 F18 C33 -93.9(3) .
C7 K1 F18 C33 139.98(19) .
C6 K1 F18 C33 121.07(19) .
N4 Fe1 N5 C23 7.2(4) .
N1 Fe1 N5 C23 -135.9(14) .
N6 Fe1 N5 C23 172.3(4) .
N2 Fe1 N5 C23 -100.3(4) .
N3 Fe1 N5 C23 82.7(4) .
N4 Fe1 N5 C27 -173.3(3) .
N1 Fe1 N5 C27 43.6(16) .
N6 Fe1 N5 C27 -8.2(3) .
N2 Fe1 N5 C27 79.2(3) .
N3 Fe1 N5 C27 -97.8(3) .
N4 Fe1 N6 C28 66.5(5) .
N5 Fe1 N6 C28 11.6(2) .
N1 Fe1 N6 C28 -164.7(2) .
N2 Fe1 N6 C28 -89.1(2) .
N3 Fe1 N6 C28 101.3(2) .
N4 Fe1 N6 C31 -125.2(4) .
N5 Fe1 N6 C31 179.9(4) .
N1 Fe1 N6 C31 3.6(4) .
N2 Fe1 N6 C31 79.2(4) .
N3 Fe1 N6 C31 -90.4(4) .
N4 Fe1 N6 K1 164.3(3) .
N5 Fe1 N6 K1 109.43(13) .
N1 Fe1 N6 K1 -66.86(12) .
N2 Fe1 N6 K1 8.71(11) .
N3 Fe1 N6 K1 -160.87(11) .
F5 K1 N6 C28 6.1(2) 7_556
F18 K1 N6 C28 -158.8(2) .
C9 K1 N6 C28 88.4(2) .
C31 K1 N6 C28 -106.5(3) .
C8 K1 N6 C28 99.3(2) .
C5S K1 N6 C28 -137.3(3) .
N2 K1 N6 C28 107.6(2) .
F6 K1 N6 C28 42.0(2) .
C30 K1 N6 C28 -68.6(3) .
C4S K1 N6 C28 -113.0(3) .
C7 K1 N6 C28 124.4(2) .
C6 K1 N6 C28 130.0(2) .
F5 K1 N6 C31 112.6(3) 7_556
F18 K1 N6 C31 -52.3(3) .
C9 K1 N6 C31 -165.1(3) .
C8 K1 N6 C31 -154.1(3) .
C5S K1 N6 C31 -30.7(3) .
N2 K1 N6 C31 -145.9(3) .
F6 K1 N6 C31 148.5(3) .
C30 K1 N6 C31 37.9(3) .
C4S K1 N6 C31 -6.4(3) .
C7 K1 N6 C31 -129.1(3) .
C6 K1 N6 C31 -123.5(3) .
F5 K1 N6 Fe1 -108.82(13) 7_556
F18 K1 N6 Fe1 86.35(13) .
C9 K1 N6 Fe1 -26.48(11) .
C31 K1 N6 Fe1 138.6(3) .
C8 K1 N6 Fe1 -15.53(14) .
C5S K1 N6 Fe1 107.9(2) .
N2 K1 N6 Fe1 -7.26(9) .
F6 K1 N6 Fe1 -72.89(11) .
C30 K1 N6 Fe1 176.5(2) .
C4S K1 N6 Fe1 132.2(2) .
C7 K1 N6 Fe1 9.49(13) .
C6 K1 N6 Fe1 15.15(11) .
C27 N5 C23 C24 -0.8(7) .
Fe1 N5 C23 C24 178.7(4) .
N5 C23 C24 C25 -0.9(10) .
C23 C24 C25 C26 1.6(10) .
C24 C25 C26 C27 -0.8(10) .
C23 N5 C27 C26 1.7(6) .
Fe1 N5 C27 C26 -177.9(4) .
C23 N5 C27 C28 -176.8(4) .
Fe1 N5 C27 C28 3.6(4) .
C25 C26 C27 N5 -0.9(8) .
C25 C26 C27 C28 177.4(5) .
C31 N6 C28 C29 -2.6(4) .
Fe1 N6 C28 C29 169.6(2) .
K1 N6 C28 C29 64.1(3) .
C31 N6 C28 C27 173.9(3) .
Fe1 N6 C28 C27 -13.9(4) .
K1 N6 C28 C27 -119.3(3) .
N5 C27 C28 N6 7.0(5) .
C26 C27 C28 N6 -171.4(4) .
N5 C27 C28 C29 -177.4(4) .
C26 C27 C28 C29 4.2(7) .
N6 C28 C29 C30 2.1(4) .
C27 C28 C29 C30 -173.7(4) .
N6 C28 C29 C32 -178.3(4) .
C27 C28 C29 C32 5.8(7) .
C28 C29 C30 C31 -0.7(4) .
C32 C29 C30 C31 179.7(4) .
C28 C29 C30 K1 -71.4(3) .
C32 C29 C30 K1 109.0(4) .
F5 K1 C30 C29 -54.2(2) 7_556
F18 K1 C30 C29 138.5(3) .
C9 K1 C30 C29 45.8(3) .
C31 K1 C30 C29 106.7(4) .
C8 K1 C30 C29 52.1(3) .
C5S K1 C30 C29 -164.4(3) .
N2 K1 C30 C29 67.0(2) .
F6 K1 C30 C29 8.2(2) .
C4S K1 C30 C29 -152.4(3) .
C7 K1 C30 C29 88.7(3) .
C6 K1 C30 C29 89.1(2) .
F5 K1 C30 C31 -160.9(3) 7_556
F18 K1 C30 C31 31.8(3) .
C9 K1 C30 C31 -60.9(3) .
C8 K1 C30 C31 -54.6(4) .
C5S K1 C30 C31 88.9(3) .
N2 K1 C30 C31 -39.7(3) .
F6 K1 C30 C31 -98.5(3) .
C4S K1 C30 C31 100.9(3) .
C7 K1 C30 C31 -18.0(4) .
C6 K1 C30 C31 -17.6(3) .
C28 N6 C31 C30 2.2(4) .
Fe1 N6 C31 C30 -166.7(3) .
K1 N6 C31 C30 -82.8(3) .
C28 N6 C31 C33 -179.9(3) .
Fe1 N6 C31 C33 11.2(6) .
K1 N6 C31 C33 95.1(3) .
C28 N6 C31 K1 85.0(2) .
Fe1 N6 C31 K1 -83.9(3) .
C29 C30 C31 N6 -0.9(4) .
K1 C30 C31 N6 85.9(3) .
C29 C30 C31 C33 -178.7(4) .
K1 C30 C31 C33 -91.9(4) .
C29 C30 C31 K1 -86.8(3) .
F5 K1 C31 N6 -86.5(3) 7_556
F18 K1 C31 N6 111.1(3) .
C9 K1 C31 N6 14.7(3) .
C8 K1 C31 N6 30.2(3) .
C5S K1 C31 N6 153.5(3) .
N2 K1 C31 N6 28.9(2) .
F6 K1 C31 N6 -29.5(3) .
C30 K1 C31 N6 -110.9(4) .
C4S K1 C31 N6 173.9(3) .
C7 K1 C31 N6 55.5(3) .
C6 K1 C31 N6 52.5(2) .
F5 K1 C31 C30 24.5(3) 7_556
F18 K1 C31 C30 -138.0(3) .
C9 K1 C31 C30 125.6(3) .
C8 K1 C31 C30 141.1(3) .
C5S K1 C31 C30 -95.5(3) .
N2 K1 C31 C30 139.8(3) .
F6 K1 C31 C30 81.4(3) .
C4S K1 C31 C30 -75.2(3) .
C7 K1 C31 C30 166.5(3) .
C6 K1 C31 C30 163.4(3) .
F5 K1 C31 C33 152.1(2) 7_556
F18 K1 C31 C33 -10.35(19) .
C9 K1 C31 C33 -106.7(2) .
C8 K1 C31 C33 -91.3(2) .
C5S K1 C31 C33 32.1(3) .
N2 K1 C31 C33 -92.5(2) .
F6 K1 C31 C33 -150.9(2) .
C30 K1 C31 C33 127.7(4) .
C4S K1 C31 C33 52.5(3) .
C7 K1 C31 C33 -65.9(2) .
C6 K1 C31 C33 -68.9(2) .
C30 C29 C32 F14 -8.9(6) .
C28 C29 C32 F14 171.6(4) .
C30 C29 C32 F15 113.1(6) .
C28 C29 C32 F15 -66.4(6) .
C30 C29 C32 F13 -127.4(5) .
C28 C29 C32 F13 53.1(7) .
K1 F18 C33 F17 -144.4(2) .
K1 F18 C33 F16 104.0(3) .
K1 F18 C33 C31 -18.7(3) .
N6 C31 C33 F17 46.5(5) .
C30 C31 C33 F17 -136.0(4) .
K1 C31 C33 F17 137.7(3) .
N6 C31 C33 F16 167.6(3) .
C30 C31 C33 F16 -14.9(5) .
K1 C31 C33 F16 -101.2(3) .
N6 C31 C33 F18 -73.5(4) .
C30 C31 C33 F18 104.0(4) .
K1 C31 C33 F18 17.8(3) .
N6 C31 C33 K1 -91.2(3) .
C30 C31 C33 K1 86.3(4) .
F5 K1 C33 F17 -139.3(4) 7_556
F18 K1 C33 F17 67.3(5) .
C9 K1 C33 F17 -14.0(5) .
C31 K1 C33 F17 -92.8(5) .
C8 K1 C33 F17 10.1(5) .
C5S K1 C33 F17 119.6(5) .
N2 K1 C33 F17 -9.9(5) .
F6 K1 C33 F17 -61.0(5) .
C30 K1 C33 F17 -121.8(5) .
C4S K1 C33 F17 144.4(6) .
C7 K1 C33 F17 27.2(5) .
C6 K1 C33 F17 14.8(5) .
F5 K1 C33 F16 58.0(4) 7_556
F18 K1 C33 F16 -95.3(4) .
C9 K1 C33 F16 -176.7(3) .
C31 K1 C33 F16 104.5(4) .
C8 K1 C33 F16 -152.5(3) .
C5S K1 C33 F16 -43.0(3) .
N2 K1 C33 F16 -172.6(3) .
F6 K1 C33 F16 136.3(3) .
C30 K1 C33 F16 75.6(3) .
C4S K1 C33 F16 -18.3(4) .
C7 K1 C33 F16 -135.5(3) .
C6 K1 C33 F16 -147.8(3) .
F5 K1 C33 F18 153.33(18) 7_556
C9 K1 C33 F18 -81.38(19) .
C31 K1 C33 F18 -160.2(3) .
C8 K1 C33 F18 -57.2(2) .
C5S K1 C33 F18 52.3(2) .
N2 K1 C33 F18 -77.27(18) .
F6 K1 C33 F18 -128.32(17) .
C30 K1 C33 F18 170.9(3) .
C4S K1 C33 F18 77.0(3) .
C7 K1 C33 F18 -40.15(19) .
C6 K1 C33 F18 -52.50(17) .
F5 K1 C33 C31 -46.5(3) 7_556
F18 K1 C33 C31 160.2(3) .
C9 K1 C33 C31 78.8(2) .
C8 K1 C33 C31 102.9(2) .
C5S K1 C33 C31 -147.5(3) .
N2 K1 C33 C31 82.9(2) .
F6 K1 C33 C31 31.8(2) .
C30 K1 C33 C31 -28.9(2) .
C4S K1 C33 C31 -122.8(3) .
C7 K1 C33 C31 120.0(2) .
C6 K1 C33 C31 107.7(2) .
C6S C1S C2S C3S 0.0 .
C7S C1S C2S C3S 178.9(17) .
C1S C2S C3S C4S 0.0 .
C2S C3S C4S C5S 0.0 .
C2S C3S C4S K1 75.3(5) .
F5 K1 C4S C3S -16.2(5) 7_556
F18 K1 C4S C3S 159.0(5) .
C9 K1 C4S C3S -143.7(6) .
C31 K1 C4S C3S 114.4(5) .
C8 K1 C4S C3S -114.6(5) .
C5S K1 C4S C3S -119.32(15) .
N2 K1 C4S C3S 177.8(4) .
F6 K1 C4S C3S 33.7(6) .
C30 K1 C4S C3S 89.4(5) .
C7 K1 C4S C3S -135.5(5) .
C6 K1 C4S C3S -164.0(4) .
F5 K1 C4S C5S 103.1(5) 7_556
F18 K1 C4S C5S -81.7(5) .
C9 K1 C4S C5S -24.4(6) .
C31 K1 C4S C5S -126.3(4) .
C8 K1 C4S C5S 4.7(5) .
N2 K1 C4S C5S -62.8(4) .
F6 K1 C4S C5S 153.0(6) .
C30 K1 C4S C5S -151.3(5) .
C7 K1 C4S C5S -16.1(4) .
C6 K1 C4S C5S -44.7(4) .
C3S C4S C5S C6S 0.0 .
K1 C4S C5S C6S -88.6(6) .
C3S C4S C5S K1 88.6(6) .
F5 K1 C5S C4S -82.9(4) 7_556
F18 K1 C5S C4S 86.8(5) .
C9 K1 C5S C4S 168.0(3) .
C31 K1 C5S C4S 54.3(4) .
C8 K1 C5S C4S -176.6(4) .
N2 K1 C5S C4S 136.6(3) .
F6 K1 C5S C4S -109.7(12) .
C30 K1 C5S C4S 28.6(4) .
C7 K1 C5S C4S 165.8(4) .
C6 K1 C5S C4S 141.9(4) .
F5 K1 C5S C6S 37.0(5) 7_556
F18 K1 C5S C6S -153.3(5) .
C9 K1 C5S C6S -72.2(3) .
C31 K1 C5S C6S 174.1(4) .
C8 K1 C5S C6S -56.7(4) .
N2 K1 C5S C6S -103.6(3) .
F6 K1 C5S C6S 10.1(12) .
C30 K1 C5S C6S 148.4(4) .
C4S K1 C5S C6S 119.86(9) .
C7 K1 C5S C6S -74.3(4) .
C6 K1 C5S C6S -98.3(4) .
C4S C5S C6S C1S 0.0 .
K1 C5S C6S C1S -81.4(5) .
C4S C5S C6S K1 81.4(6) .
C2S C1S C6S C5S 0.0 .
C7S C1S C6S C5S -178.8(18) .
C2S C1S C6S K1 -62.7(5) .
C7S C1S C6S K1 118.5(15) .
F5 K1 C6S C5S -144.6(4) 7_556
F18 K1 C6S C5S 24.1(4) .
C9 K1 C6S C5S 125.4(3) .
C31 K1 C6S C5S -6.9(5) .
C8 K1 C6S C5S 128.7(4) .
N2 K1 C6S C5S 93.9(3) .
F6 K1 C6S C5S -176.5(4) .
C30 K1 C6S C5S -36.4(5) .
C4S K1 C6S C5S -33.73(14) .
C7 K1 C6S C5S 106.1(4) .
C6 K1 C6S C5S 87.0(4) .
F5 K1 C6S C1S -24.0(5) 7_556
F18 K1 C6S C1S 144.7(5) .
C9 K1 C6S C1S -114.1(4) .
C31 K1 C6S C1S 113.7(6) .
C8 K1 C6S C1S -110.8(5) .
C5S K1 C6S C1S 120.5(2) .
N2 K1 C6S C1S -145.5(4) .
F6 K1 C6S C1S -56.0(4) .
C30 K1 C6S C1S 84.1(6) .
C4S K1 C6S C1S 86.8(3) .
C7 K1 C6S C1S -133.4(5) .
C6 K1 C6S C1S -152.5(5) .
C1D C2D C3D C4D -1.5(14) .
C7D C2D C3D C4D 170.2(15) .
C2D C3D C4D C5D 2.4(15) .
C2D C3D C4D K1 70.9(9) .
F5 K1 C4D C5D 91.4(7) 7_556
F18 K1 C4D C5D -96.6(7) .
C9 K1 C4D C5D -33.0(8) .
C31 K1 C4D C5D -136.0(7) .
C8 K1 C4D C5D -9.5(7) .
C5S K1 C4D C5D 15.1(12) .
N2 K1 C4D C5D -63.4(7) .
F6 K1 C4D C5D 140.6(10) .
C30 K1 C4D C5D -161.4(7) .
C4S K1 C4D C5D 147.0(14) .
C7 K1 C4D C5D -25.5(7) .
C6 K1 C4D C5D -51.3(7) .
F5 K1 C4D C3D -33.1(7) 7_556
F18 K1 C4D C3D 139.0(7) .
C9 K1 C4D C3D -157.4(6) .
C31 K1 C4D C3D 99.6(7) .
C8 K1 C4D C3D -133.9(6) .
C5S K1 C4D C3D -109.3(14) .
N2 K1 C4D C3D 172.1(6) .
F6 K1 C4D C3D 16.2(15) .
C30 K1 C4D C3D 74.2(7) .
C4S K1 C4D C3D 22.6(11) .
C7 K1 C4D C3D -150.0(6) .
C6 K1 C4D C3D -175.7(6) .
C3D C4D C5D C6D -0.6(16) .
K1 C4D C5D C6D -75.3(11) .
C3D C4D C5D K1 74.7(9) .
F5 K1 C5D C4D -96.7(7) 7_556
F18 K1 C5D C4D 71.2(6) .
C9 K1 C5D C4D 157.8(6) .
C31 K1 C5D C4D 45.6(7) .
C8 K1 C5D C4D 172.1(6) .
C5S K1 C5D C4D -19.3(19) .
N2 K1 C5D C4D 129.4(6) .
F6 K1 C5D C4D -158.3(6) .
C30 K1 C5D C4D 19.7(7) .
C4S K1 C5D C4D -13.0(6) .
C7 K1 C5D C4D 155.2(7) .
C6 K1 C5D C4D 131.9(6) .
F5 K1 C5D C6D 26.3(7) 7_556
F18 K1 C5D C6D -165.8(7) .
C9 K1 C5D C6D -79.2(7) .
C31 K1 C5D C6D 168.6(7) .
C8 K1 C5D C6D -64.9(7) .
C5S K1 C5D C6D 104(2) .
N2 K1 C5D C6D -107.5(6) .
F6 K1 C5D C6D -35.3(11) .
C30 K1 C5D C6D 142.7(7) .
C4S K1 C5D C6D 110.0(8) .
C7 K1 C5D C6D -81.8(7) .
C6 K1 C5D C6D -105.1(7) .
C4D C5D C6D C1D -2.0(15) .
K1 C5D C6D C1D -78.0(8) .
C4D C5D C6D K1 76.0(11) .
F5 K1 C6D C5D -155.1(7) 7_556
F18 K1 C6D C5D 12.8(7) .
C9 K1 C6D C5D 114.3(6) .
C31 K1 C6D C5D -13.9(8) .
C8 K1 C6D C5D 117.7(7) .
C5S K1 C6D C5D -22.7(6) .
N2 K1 C6D C5D 85.4(7) .
F6 K1 C6D C5D 164.4(5) .
C30 K1 C6D C5D -45.6(8) .
C4S K1 C6D C5D -47.3(6) .
C7 K1 C6D C5D 95.0(7) .
C6 K1 C6D C5D 76.9(7) .
F5 K1 C6D C1D -34.5(7) 7_556
F18 K1 C6D C1D 133.4(7) .
C9 K1 C6D C1D -125.1(6) .
C31 K1 C6D C1D 106.7(7) .
C8 K1 C6D C1D -121.7(7) .
C5S K1 C6D C1D 97.9(9) .
N2 K1 C6D C1D -154.0(6) .
F6 K1 C6D C1D -75.0(7) .
C30 K1 C6D C1D 75.0(8) .
C4S K1 C6D C1D 73.3(7) .
C7 K1 C6D C1D -144.4(7) .
C6 K1 C6D C1D -162.5(7) .
C5D C6D C1D C2D 2.8(13) .
K1 C6D C1D C2D -68.4(9) .
C3D C2D C1D C6D -1.1(13) .
C7D C2D C1D C6D -173.6(14) .
