#------------------------------------------------------------------------------
#$Date: 2019-09-18 10:23:20 +0300 (Wed, 18 Sep 2019) $
#$Revision: 218416 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/39/7233926.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_7233926
loop_
_publ_author_name
'Benjamin D. Lindner'
'Fabian Paulus'
'Anthony L. Appleton'
'Manuel Schaffroth'
'Jens U. Engelhart'
'Korwin M. Schelkle'
'Olena Tverskoy'
'Frank Rominger'
'Manuel Hamburger'
'Uwe H. F. Bunz'
_publ_section_title
;
 Electron-transporting phenazinothiadiazoles with engineered
 microstructure
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              9609
_journal_page_last               9612
_journal_paper_doi               10.1039/C4TC01992J
_journal_volume                  2
_journal_year                    2014
_chemical_formula_moiety
'[C46 H59 Cr N5]+, (C32 H12 B F24)-, 2 (C4 H8 O)'
_chemical_formula_sum            'C86 H87 B Cr F24 N5 O2'
_chemical_formula_weight         1741.42
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                106.273(4)
_cell_angle_beta                 100.944(4)
_cell_angle_gamma                96.639(4)
_cell_formula_units_Z            2
_cell_length_a                   13.6274(4)
_cell_length_b                   18.3852(6)
_cell_length_c                   18.7086(6)
_cell_measurement_temperature    100(2)
_cell_volume                     4346.2(3)
_computing_cell_refinement       'Bruker AXS Collect Software'
_computing_data_collection       'Bruker AXS Collect Software'
_computing_data_reduction        'Bruker AXS Collect Software'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker-Nonius KappaCCD'
_diffrn_measurement_method
'1479 images at 0.5 deg. stepwise rotation in omega and phi, 45 sec./frame'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode, 50 kV, 80 mA'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0470
_diffrn_reflns_av_sigmaI/netI    0.0469
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            56381
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.92
_exptl_absorpt_coefficient_mu    0.231
_exptl_absorpt_correction_T_max  0.8194
_exptl_absorpt_correction_T_min  0.5245
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.331
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'opaque parallelepiped'
_exptl_crystal_F_000             1798
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.759
_refine_diff_density_min         -0.532
_refine_diff_density_rms         0.061
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1148
_refine_ls_number_reflns         15282
_refine_ls_number_restraints     75
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0983
_refine_ls_R_factor_gt           0.0713
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0908P)²+6.6357P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1783
_refine_ls_wR_factor_ref         0.2012
_reflns_number_gt                11269
_reflns_number_total             15282
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1000001.cif
_cod_data_source_block           PCOD1000001
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was
changed to 'multi-scan' in accordance with the built-in table derived
from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last
updated on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        4346.2(2)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7233926
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cr1 Cr -0.30132(3) -0.23956(2) -0.15224(2) 0.02900(10) Uani 1 1 d . . .
N1 N -0.28321(16) -0.25063(12) -0.04784(12) 0.0341(5) Uani 1 1 d . . .
C2 C -0.3316(2) -0.30867(16) -0.02871(16) 0.0448(7) Uani 1 1 d . . .
H2 H -0.3818 -0.3471 -0.0672 0.054 Uiso 1 1 calc R . .
C3 C -0.3107(3) -0.31398(17) 0.04373(17) 0.0553(8) Uani 1 1 d . . .
H3 H -0.3467 -0.3551 0.0552 0.066 Uiso 1 1 calc R . .
C4 C -0.2364(3) -0.25881(18) 0.10086(17) 0.0562(8) Uani 1 1 d . . .
H4 H -0.2203 -0.2625 0.1513 0.067 Uiso 1 1 calc R . .
C5 C -0.1872(2) -0.19946(17) 0.08349(16) 0.0494(8) Uani 1 1 d . . .
H5 H -0.1362 -0.1614 0.1217 0.059 Uiso 1 1 calc R . .
C6 C -0.2126(2) -0.19520(15) 0.00857(14) 0.0360(6) Uani 1 1 d . . .
C7 C -0.1737(2) -0.13472(15) -0.01633(14) 0.0371(6) Uani 1 1 d . . .
H7 H -0.1256 -0.0915 0.0176 0.044 Uiso 1 1 calc R . .
N8 N -0.20779(15) -0.14109(11) -0.08957(11) 0.0304(5) Uani 1 1 d . . .
C9 C -0.18227(19) -0.07410(14) -0.11253(14) 0.0321(6) Uani 1 1 d . . .
C10 C -0.2483(2) -0.02010(14) -0.10938(14) 0.0351(6) Uani 1 1 d . . .
C11 C -0.2203(2) 0.04484(16) -0.12998(16) 0.0449(7) Uani 1 1 d . . .
H11 H -0.2625 0.0828 -0.1267 0.054 Uiso 1 1 calc R . .
C12 C -0.1320(2) 0.05543(17) -0.15522(18) 0.0512(8) Uani 1 1 d . . .
H12 H -0.1142 0.1002 -0.1692 0.061 Uiso 1 1 calc R . .
C13 C -0.0702(2) 0.00103(16) -0.15995(16) 0.0463(7) Uani 1 1 d . . .
H13 H -0.0102 0.0085 -0.1778 0.056 Uiso 1 1 calc R . .
C14 C -0.0938(2) -0.06477(15) -0.13909(15) 0.0377(7) Uani 1 1 d . . .
C15 C -0.3482(2) -0.03233(15) -0.08536(15) 0.0396(7) Uani 1 1 d . . .
H15 H -0.3702 -0.0891 -0.0977 0.048 Uiso 1 1 calc R . .
C16 C -0.4330(2) -0.00295(18) -0.12838(19) 0.0537(8) Uani 1 1 d . . .
H16A H -0.4205 0.0535 -0.1099 0.081 Uiso 1 1 calc R . .
H16B H -0.4981 -0.0229 -0.1197 0.081 Uiso 1 1 calc R . .
H16C H -0.4351 -0.0205 -0.1833 0.081 Uiso 1 1 calc R . .
C17 C -0.3357(3) 0.0030(3) 0.00012(18) 0.0757(12) Uani 1 1 d . . .
H17A H -0.2836 -0.0182 0.0277 0.114 Uiso 1 1 calc R . .
H17B H -0.4004 -0.0089 0.0137 0.114 Uiso 1 1 calc R . .
H17C H -0.3150 0.0590 0.0143 0.114 Uiso 1 1 calc R . .
C18 C -0.0236(2) -0.12352(16) -0.14405(16) 0.0423(7) Uani 1 1 d . . .
H18 H -0.0628 -0.1723 -0.1426 0.051 Uiso 1 1 calc R . .
C19 C 0.0659(3) -0.0962(2) -0.0745(2) 0.0678(11) Uani 1 1 d . . .
H19A H 0.1029 -0.0464 -0.0722 0.102 Uiso 1 1 calc R . .
H19B H 0.1114 -0.1340 -0.0787 0.102 Uiso 1 1 calc R . .
H19C H 0.0408 -0.0908 -0.0279 0.102 Uiso 1 1 calc R . .
C20 C 0.0124(2) -0.14178(19) -0.2188(2) 0.0611(9) Uani 1 1 d . . .
H20A H -0.0458 -0.1509 -0.2620 0.092 Uiso 1 1 calc R . .
H20B H 0.0435 -0.1879 -0.2250 0.092 Uiso 1 1 calc R . .
H20C H 0.0625 -0.0982 -0.2172 0.092 Uiso 1 1 calc R . .
N21 N -0.27067(15) -0.22583(11) -0.25127(11) 0.0317(5) Uani 1 1 d . . .
C22 C -0.2989(2) -0.17331(15) -0.28460(15) 0.0370(6) Uani 1 1 d . . .
H22 H -0.3336 -0.1356 -0.2595 0.044 Uiso 1 1 calc R . .
C23 C -0.2794(2) -0.17189(17) -0.35402(15) 0.0443(7) Uani 1 1 d . . .
H23 H -0.2999 -0.1336 -0.3757 0.053 Uiso 1 1 calc R . .
C24 C -0.2299(2) -0.22638(18) -0.39153(16) 0.0500(8) Uani 1 1 d . . .
H24 H -0.2173 -0.2268 -0.4399 0.060 Uiso 1 1 calc R . .
C25 C -0.1987(2) -0.28055(17) -0.35802(15) 0.0471(8) Uani 1 1 d . . .
H25 H -0.1634 -0.3181 -0.3825 0.056 Uiso 1 1 calc R . .
C26 C -0.2201(2) -0.27914(15) -0.28770(14) 0.0365(6) Uani 1 1 d . . .
C27 C -0.1937(2) -0.33338(15) -0.24834(14) 0.0370(6) Uani 1 1 d . . .
H27 H -0.1587 -0.3731 -0.2689 0.044 Uiso 1 1 calc R . .
N28 N -0.21953(15) -0.32631(11) -0.18369(11) 0.0324(5) Uani 1 1 d . . .
C29 C -0.2006(2) -0.38612(14) -0.14822(15) 0.0368(6) Uani 1 1 d . . .
C30 C -0.1112(2) -0.37247(16) -0.09102(15) 0.0403(7) Uani 1 1 d . . .
C31 C -0.0955(2) -0.43031(18) -0.05791(18) 0.0563(8) Uani 1 1 d . . .
H31 H -0.0357 -0.4231 -0.0193 0.068 Uiso 1 1 calc R . .
C32 C -0.1648(3) -0.49783(19) -0.0797(2) 0.0654(9) Uani 1 1 d . . .
H32 H -0.1524 -0.5365 -0.0562 0.079 Uiso 1 1 calc R . .
C33 C -0.2518(3) -0.50919(18) -0.1355(2) 0.0619(9) Uani 1 1 d . . .
H33 H -0.2989 -0.5561 -0.1504 0.074 Uiso 1 1 calc R . .
C34 C -0.2722(2) -0.45331(16) -0.17048(17) 0.0473(8) Uani 1 1 d . . .
C35 C -0.0322(2) -0.30016(17) -0.06975(16) 0.0437(7) Uani 1 1 d . . .
H35 H -0.0682 -0.2581 -0.0789 0.052 Uiso 1 1 calc R . .
C36 C 0.0420(2) -0.31228(19) -0.1217(2) 0.0573(9) Uani 1 1 d . . .
H36A H 0.0759 -0.3552 -0.1158 0.086 Uiso 1 1 calc R . .
H36B H 0.0929 -0.2653 -0.1076 0.086 Uiso 1 1 calc R . .
H36C H 0.0049 -0.3242 -0.1750 0.086 Uiso 1 1 calc R . .
C37 C 0.0263(3) -0.2733(2) 0.01476(19) 0.0672(11) Uani 1 1 d . . .
H37A H -0.0220 -0.2720 0.0476 0.101 Uiso 1 1 calc R . .
H37B H 0.0662 -0.2216 0.0273 0.101 Uiso 1 1 calc R . .
H37C H 0.0719 -0.3091 0.0232 0.101 Uiso 1 1 calc R . .
C38 C -0.3684(3) -0.46819(19) -0.2333(2) 0.0664(10) Uani 1 1 d . . .
H38 H -0.3832 -0.4170 -0.2364 0.080 Uiso 1 1 calc R . .
C39 C -0.4615(3) -0.5100(2) -0.2175(3) 0.0885(14) Uani 1 1 d . . .
H39A H -0.4538 -0.5634 -0.2221 0.133 Uiso 1 1 calc R . .
H39B H -0.5225 -0.5096 -0.2546 0.133 Uiso 1 1 calc R . .
H39C H -0.4678 -0.4840 -0.1656 0.133 Uiso 1 1 calc R . .
C40 C -0.3512(4) -0.5121(3) -0.3099(3) 0.1089(18) Uani 1 1 d . . .
H40A H -0.2879 -0.4873 -0.3173 0.163 Uiso 1 1 calc R . .
H40B H -0.4081 -0.5121 -0.3508 0.163 Uiso 1 1 calc R . .
H40C H -0.3465 -0.5652 -0.3113 0.163 Uiso 1 1 calc R . .
N41 N -0.42614(15) -0.25347(11) -0.17940(12) 0.0336(5) Uani 1 1 d . . .
C42 C -0.53373(18) -0.25862(14) -0.20456(15) 0.0351(6) Uani 1 1 d . . .
C43 C -0.5523(2) -0.21731(17) -0.26587(17) 0.0472(7) Uani 1 1 d . . .
H43A H -0.5181 -0.1627 -0.2439 0.057 Uiso 1 1 calc R . .
H43B H -0.5236 -0.2420 -0.3095 0.057 Uiso 1 1 calc R . .
C44 C -0.5867(2) -0.34327(15) -0.23999(17) 0.0417(7) Uani 1 1 d . . .
H44A H -0.5582 -0.3688 -0.2835 0.050 Uiso 1 1 calc R . .
H44B H -0.5748 -0.3706 -0.2013 0.050 Uiso 1 1 calc R . .
C45 C -0.5780(2) -0.21994(17) -0.13688(17) 0.0467(7) Uani 1 1 d . . .
H45A H -0.5439 -0.1655 -0.1132 0.056 Uiso 1 1 calc R . .
H45B H -0.5668 -0.2466 -0.0976 0.056 Uiso 1 1 calc R . .
C46 C -0.6666(2) -0.22181(19) -0.2937(2) 0.0598(9) Uani 1 1 d . . .
H46 H -0.6786 -0.1947 -0.3332 0.072 Uiso 1 1 calc R . .
C47 C -0.7179(2) -0.3061(2) -0.3290(2) 0.0614(9) Uani 1 1 d . . .
H47A H -0.6890 -0.3311 -0.3724 0.074 Uiso 1 1 calc R . .
H47B H -0.7916 -0.3096 -0.3487 0.074 Uiso 1 1 calc R . .
C48 C -0.7007(2) -0.34706(18) -0.26787(19) 0.0519(8) Uani 1 1 d . . .
H48 H -0.7352 -0.4021 -0.2905 0.062 Uiso 1 1 calc R . .
C49 C -0.7445(2) -0.30791(19) -0.2013(2) 0.0587(9) Uani 1 1 d . . .
H49A H -0.7342 -0.3346 -0.1620 0.070 Uiso 1 1 calc R . .
H49B H -0.8184 -0.3109 -0.2194 0.070 Uiso 1 1 calc R . .
C50 C -0.6926(2) -0.22414(19) -0.1664(2) 0.0593(9) Uani 1 1 d . . .
H50 H -0.7219 -0.1990 -0.1226 0.071 Uiso 1 1 calc R . .
C51 C -0.7085(2) -0.1821(2) -0.2255(2) 0.0698(11) Uani 1 1 d . . .
H51A H -0.6733 -0.1279 -0.2025 0.084 Uiso 1 1 calc R . .
H51B H -0.7819 -0.1824 -0.2428 0.084 Uiso 1 1 calc R . .
B100 B -0.2439(2) -0.25150(17) 0.35232(16) 0.0359(7) Uani 1 1 d . . .
C101 C -0.1861(2) -0.30488(14) 0.29374(14) 0.0386(6) Uani 1 1 d . . .
C102 C -0.0891(2) -0.27795(16) 0.28704(16) 0.0454(7) Uani 1 1 d . . .
H102 H -0.0530 -0.2296 0.3211 0.054 Uiso 1 1 calc R . .
C103 C -0.0436(2) -0.31957(18) 0.23219(17) 0.0529(8) Uani 1 1 d . . .
C104 C -0.0943(3) -0.38967(18) 0.18049(18) 0.0592(8) Uani 1 1 d . . .
H104 H -0.0636 -0.4181 0.1428 0.071 Uiso 1 1 calc R . .
C105 C -0.1909(3) -0.41709(16) 0.18522(16) 0.0515(8) Uani 1 1 d . . .
C106 C -0.2357(2) -0.37612(15) 0.24053(15) 0.0432(7) Uani 1 1 d . . .
H106 H -0.3020 -0.3968 0.2425 0.052 Uiso 1 1 calc R . .
C121 C -0.3206(2) -0.30006(14) 0.38733(14) 0.0372(6) Uani 1 1 d . . .
C122 C -0.2988(2) -0.36641(15) 0.40539(14) 0.0400(7) Uani 1 1 d . A .
H122 H -0.2435 -0.3885 0.3899 0.048 Uiso 1 1 calc R . .
C123 C -0.3561(2) -0.40080(15) 0.44547(15) 0.0455(8) Uani 1 1 d D . .
C124 C -0.4371(2) -0.37083(17) 0.46828(16) 0.0499(8) Uani 1 1 d . A .
H124 H -0.4756 -0.3942 0.4959 0.060 Uiso 1 1 calc R . .
C125 C -0.4615(2) -0.30630(17) 0.45033(16) 0.0484(8) Uani 1 1 d D . .
C126 C -0.4035(2) -0.27137(16) 0.41100(15) 0.0421(7) Uani 1 1 d . A .
H126 H -0.4210 -0.2265 0.4000 0.050 Uiso 1 1 calc R . .
C141 C -0.30546(19) -0.20722(14) 0.29790(14) 0.0345(6) Uani 1 1 d . . .
C142 C -0.4012(2) -0.24054(15) 0.24923(15) 0.0418(7) Uani 1 1 d . B .
H142 H -0.4359 -0.2865 0.2534 0.050 Uiso 1 1 calc R . .
C143 C -0.4474(2) -0.20910(17) 0.19515(16) 0.0463(7) Uani 1 1 d D . .
C144 C -0.3999(2) -0.14182(16) 0.18771(16) 0.0455(7) Uani 1 1 d . B .
H144 H -0.4313 -0.1199 0.1509 0.055 Uiso 1 1 calc R . .
C145 C -0.3051(2) -0.10716(15) 0.23561(15) 0.0404(7) Uani 1 1 d . . .
C146 C -0.2594(2) -0.13946(14) 0.28908(14) 0.0360(6) Uani 1 1 d . B .
H146 H -0.1944 -0.1145 0.3209 0.043 Uiso 1 1 calc R . .
C161 C -0.1626(2) -0.19317(15) 0.42840(14) 0.0364(6) Uani 1 1 d . . .
C162 C -0.1751(2) -0.11907(15) 0.46808(14) 0.0390(6) Uani 1 1 d . C .
H162 H -0.2317 -0.0991 0.4480 0.047 Uiso 1 1 calc R . .
C163 C -0.1076(2) -0.07409(16) 0.53557(16) 0.0465(7) Uani 1 1 d D . .
C164 C -0.0246(2) -0.10162(18) 0.56729(17) 0.0511(8) Uani 1 1 d . C .
H164 H 0.0223 -0.0708 0.6132 0.061 Uiso 1 1 calc R . .
C165 C -0.0126(2) -0.17496(17) 0.53010(16) 0.0479(8) Uani 1 1 d D . .
C166 C -0.0796(2) -0.21923(16) 0.46238(15) 0.0417(7) Uani 1 1 d . C .
H166 H -0.0686 -0.2694 0.4381 0.050 Uiso 1 1 calc R . .
C107 C 0.0615(3) -0.2865(2) 0.2309(2) 0.0720(10) Uani 1 1 d . . .
F108 F 0.09645(19) -0.33092(18) 0.17565(17) 0.1207(10) Uani 1 1 d . . .
F109 F 0.12634(19) -0.2739(2) 0.29494(17) 0.1462(13) Uani 1 1 d . . .
F110 F 0.0646(2) -0.22092(15) 0.21536(18) 0.1118(9) Uani 1 1 d . . .
C111 C -0.2509(4) -0.49189(18) 0.12883(19) 0.0718(11) Uani 1 1 d . . .
F112 F -0.1915(2) -0.53878(15) 0.09923(18) 0.1222(11) Uani 1 1 d . . .
F113 F -0.3082(3) -0.53108(14) 0.15813(16) 0.1352(11) Uani 1 1 d . . .
F114 F -0.3098(3) -0.48355(14) 0.07023(17) 0.1379(13) Uani 1 1 d . . .
C151 C -0.2514(3) -0.03430(17) 0.23028(17) 0.0538(8) Uani 1 1 d . B .
F152 F -0.2820(2) -0.02118(13) 0.16583(13) 0.1091(9) Uani 1 1 d . . .
F153 F -0.1516(2) -0.03159(13) 0.24013(17) 0.1061(8) Uani 1 1 d . . .
F154 F -0.2587(3) 0.02677(12) 0.28433(15) 0.1204(10) Uani 1 1 d . . .
C127 C -0.3313(3) -0.4709(2) 0.4640(2) 0.0613(10) Uani 0.871(2) 1 d PD A 1
F128 F -0.4046(2) -0.53230(13) 0.43006(18) 0.0956(10) Uani 0.871(2) 1 d PD A 1
F129 F -0.2489(2) -0.49365(14) 0.44336(19) 0.1030(9) Uani 0.871(2) 1 d PD A 1
F130 F -0.3194(4) -0.46331(15) 0.53784(14) 0.1254(15) Uani 0.871(2) 1 d PD A 1
C131 C -0.5490(4) -0.2733(4) 0.4729(4) 0.0662(10) Uani 0.596(3) 1 d PD A 1
F132 F -0.6215(3) -0.2771(3) 0.4130(2) 0.1109(14) Uani 0.596(3) 1 d PD A 1
F133 F -0.5924(4) -0.3054(3) 0.5168(3) 0.1424(14) Uani 0.596(3) 1 d PD A 1
F134 F -0.5248(4) -0.1968(3) 0.5073(3) 0.1245(18) Uani 0.596(3) 1 d PD A 1
C147 C -0.5500(4) -0.2497(4) 0.1462(3) 0.0656(11) Uani 0.650(3) 1 d PD B 1
F148 F -0.5486(3) -0.3189(3) 0.1004(3) 0.1211(17) Uani 0.650(3) 1 d PD B 1
F149 F -0.5911(3) -0.2122(2) 0.1020(3) 0.1256(14) Uani 0.650(3) 1 d PD B 1
F150 F -0.6189(3) -0.2646(4) 0.1842(3) 0.1292(19) Uani 0.650(3) 1 d PD B 1
C167 C -0.1216(4) 0.0046(2) 0.5756(3) 0.0594(10) Uani 0.755(3) 1 d PD C 1
F168 F -0.1537(3) 0.00869(19) 0.6378(2) 0.1372(13) Uani 0.755(3) 1 d PD C 1
F169 F -0.1834(3) 0.03461(19) 0.5334(2) 0.1391(17) Uani 0.755(3) 1 d PD C 1
F170 F -0.0371(3) 0.05679(16) 0.6009(2) 0.1054(13) Uani 0.755(3) 1 d PD C 1
C171 C 0.0717(3) -0.2092(3) 0.5638(3) 0.0656(11) Uani 0.783(3) 1 d PD C 1
F172 F 0.0386(3) -0.2675(2) 0.5870(2) 0.1214(12) Uani 0.783(3) 1 d PD C 1
F173 F 0.1347(3) -0.1610(2) 0.6242(2) 0.1221(14) Uani 0.783(3) 1 d PD C 1
F174 F 0.1248(2) -0.2389(3) 0.51348(19) 0.1261(14) Uani 0.783(3) 1 d PD C 1
C227 C -0.3223(12) -0.4659(7) 0.4670(8) 0.0613(10) Uani 0.129(2) 1 d PD A 2
F228 F -0.3842(13) -0.4987(9) 0.4991(11) 0.0956(10) Uani 0.129(2) 1 d PD A 2
F229 F -0.3227(15) -0.5205(9) 0.4047(9) 0.1030(9) Uani 0.129(2) 1 d PD A 2
F230 F -0.2355(14) -0.4518(10) 0.5157(9) 0.1254(15) Uani 0.129(2) 1 d PD A 2
C231 C -0.5475(6) -0.2744(5) 0.4754(5) 0.0662(10) Uani 0.404(3) 1 d PD A 2
F232 F -0.5783(5) -0.2212(5) 0.4467(4) 0.1109(14) Uani 0.404(3) 1 d PD A 2
F233 F -0.6285(6) -0.3265(5) 0.4623(5) 0.1424(14) Uani 0.404(3) 1 d PD A 2
F234 F -0.5291(6) -0.2380(5) 0.5503(4) 0.1245(18) Uani 0.404(3) 1 d PD A 2
C247 C -0.5446(7) -0.2452(7) 0.1397(6) 0.0656(11) Uani 0.350(3) 1 d PD B 2
F248 F -0.5471(6) -0.2518(5) 0.0681(4) 0.1211(17) Uani 0.350(3) 1 d PD B 2
F249 F -0.5750(7) -0.3138(4) 0.1411(5) 0.1256(14) Uani 0.350(3) 1 d PD B 2
F250 F -0.6164(6) -0.2076(6) 0.1587(6) 0.1292(19) Uani 0.350(3) 1 d PD B 2
C267 C -0.1283(9) 0.0010(6) 0.5762(7) 0.0594(10) Uani 0.245(3) 1 d PD C 2
F268 F -0.0751(10) 0.0325(6) 0.6451(6) 0.1372(13) Uani 0.245(3) 1 d PD C 2
F269 F -0.2229(8) 0.0023(6) 0.5779(7) 0.1391(17) Uani 0.245(3) 1 d PD C 2
F270 F -0.1114(9) 0.0510(5) 0.5401(7) 0.1054(13) Uani 0.245(3) 1 d PD C 2
C271 C 0.0810(8) -0.2008(7) 0.5585(7) 0.0656(11) Uani 0.217(3) 1 d PD C 2
F272 F 0.0804(10) -0.2082(7) 0.6269(7) 0.1214(12) Uani 0.217(3) 1 d PD C 2
F273 F 0.1684(8) -0.1603(7) 0.5675(7) 0.1221(14) Uani 0.217(3) 1 d PD C 2
F274 F 0.0861(10) -0.2726(8) 0.5240(8) 0.1261(14) Uani 0.217(3) 1 d PD C 2
O301 O -0.4259(3) -0.0309(3) -0.3293(3) 0.1493(16) Uani 1 1 d . . .
C302 C -0.5281(6) -0.0394(5) -0.3649(5) 0.199(4) Uani 1 1 d . . .
H30A H -0.5701 -0.0410 -0.3275 0.238 Uiso 1 1 calc R . .
H30B H -0.5486 -0.0888 -0.4070 0.238 Uiso 1 1 calc R . .
C303 C -0.5469(6) 0.0249(6) -0.3961(4) 0.226(4) Uani 1 1 d . . .
H30C H -0.5993 0.0516 -0.3754 0.272 Uiso 1 1 calc R . .
H30D H -0.5677 0.0068 -0.4528 0.272 Uiso 1 1 calc R . .
C304 C -0.4419(7) 0.0766(5) -0.3673(4) 0.197(3) Uani 1 1 d . . .
H30E H -0.4083 0.0742 -0.4102 0.237 Uiso 1 1 calc R . .
H30F H -0.4480 0.1307 -0.3435 0.237 Uiso 1 1 calc R . .
C305 C -0.3870(6) 0.0491(4) -0.3142(4) 0.158(3) Uani 1 1 d . . .
H30G H -0.3915 0.0785 -0.2621 0.189 Uiso 1 1 calc R . .
H30H H -0.3146 0.0558 -0.3165 0.189 Uiso 1 1 calc R . .
O401 O -0.0595(3) -0.4468(2) -0.3291(2) 0.1515(14) Uani 1 1 d . . .
C402 C -0.0358(8) -0.5055(4) -0.2993(5) 0.281(4) Uani 1 1 d . . .
H40D H -0.0913 -0.5235 -0.2777 0.337 Uiso 1 1 calc R . .
H40E H 0.0276 -0.4875 -0.2584 0.337 Uiso 1 1 calc R . .
C403 C -0.0230(8) -0.5653(4) -0.3616(4) 0.213(4) Uani 1 1 d . . .
H40F H 0.0395 -0.5853 -0.3464 0.255 Uiso 1 1 calc R . .
H40G H -0.0816 -0.6083 -0.3780 0.255 Uiso 1 1 calc R . .
C404 C -0.0166(8) -0.5372(4) -0.4166(5) 0.224(4) Uani 1 1 d . . .
H40H H -0.0769 -0.5596 -0.4597 0.269 Uiso 1 1 calc R . .
H40I H 0.0450 -0.5480 -0.4354 0.269 Uiso 1 1 calc R . .
C405 C -0.0110(5) -0.4517(3) -0.3829(4) 0.144(2) Uani 1 1 d . . .
H40J H 0.0603 -0.4248 -0.3619 0.172 Uiso 1 1 calc R . .
H40K H -0.0443 -0.4297 -0.4218 0.172 Uiso 1 1 calc R . .
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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cr Cr 0.3209 0.6236 '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'
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
N41 Cr1 N1 101.02(10) . .
N41 Cr1 N8 127.21(9) . .
N1 Cr1 N8 78.94(8) . .
N41 Cr1 N21 97.25(9) . .
N1 Cr1 N21 161.66(8) . .
N8 Cr1 N21 91.33(8) . .
N41 Cr1 N28 122.35(9) . .
N1 Cr1 N28 90.34(9) . .
N8 Cr1 N28 110.41(8) . .
N21 Cr1 N28 78.42(8) . .
C2 N1 C6 117.9(2) . .
C2 N1 Cr1 126.29(17) . .
C6 N1 Cr1 115.75(17) . .
N1 C2 C3 122.5(3) . .
C2 C3 C4 119.7(3) . .
C5 C4 C3 119.1(3) . .
C4 C5 C6 119.3(3) . .
N1 C6 C5 121.4(3) . .
N1 C6 C7 112.9(2) . .
C5 C6 C7 125.7(2) . .
N8 C7 C6 116.6(2) . .
C7 N8 C9 116.89(19) . .
C7 N8 Cr1 115.16(17) . .
C9 N8 Cr1 127.58(15) . .
C14 C9 C10 121.3(2) . .
C14 C9 N8 119.4(2) . .
C10 C9 N8 119.3(2) . .
C11 C10 C9 117.9(3) . .
C11 C10 C15 120.4(2) . .
C9 C10 C15 121.7(2) . .
C12 C11 C10 121.3(3) . .
C13 C12 C11 119.8(3) . .
C12 C13 C14 121.4(3) . .
C13 C14 C9 118.2(3) . .
C13 C14 C18 120.3(3) . .
C9 C14 C18 121.5(2) . .
C17 C15 C16 109.7(3) . .
C17 C15 C10 112.0(2) . .
C16 C15 C10 113.3(2) . .
C14 C18 C19 110.0(2) . .
C14 C18 C20 112.5(3) . .
C19 C18 C20 111.4(3) . .
C22 N21 C26 118.1(2) . .
C22 N21 Cr1 127.19(18) . .
C26 N21 Cr1 114.65(17) . .
N21 C22 C23 122.6(3) . .
C24 C23 C22 119.5(3) . .
C23 C24 C25 119.2(3) . .
C24 C25 C26 118.9(3) . .
N21 C26 C25 121.8(3) . .
N21 C26 C27 114.3(2) . .
C25 C26 C27 124.0(3) . .
N28 C27 C26 117.7(2) . .
C27 N28 C29 116.8(2) . .
C27 N28 Cr1 114.80(18) . .
C29 N28 Cr1 127.75(17) . .
C34 C29 C30 122.5(3) . .
C34 C29 N28 119.2(2) . .
C30 C29 N28 118.3(2) . .
C31 C30 C29 117.0(3) . .
C31 C30 C35 121.3(2) . .
C29 C30 C35 121.6(2) . .
C32 C31 C30 121.6(3) . .
C33 C32 C31 120.0(3) . .
C32 C33 C34 121.2(3) . .
C29 C34 C33 117.7(3) . .
C29 C34 C38 122.2(3) . .
C33 C34 C38 120.1(3) . .
C30 C35 C36 109.9(2) . .
C30 C35 C37 113.6(3) . .
C36 C35 C37 110.0(3) . .
C40 C38 C34 110.4(3) . .
C40 C38 C39 110.2(3) . .
C34 C38 C39 113.5(3) . .
C42 N41 Cr1 174.47(19) . .
N41 C42 C45 110.2(2) . .
N41 C42 C44 110.5(2) . .
C45 C42 C44 109.2(2) . .
N41 C42 C43 108.2(2) . .
C45 C42 C43 109.7(2) . .
C44 C42 C43 108.9(2) . .
C46 C43 C42 109.4(2) . .
C48 C44 C42 109.5(2) . .
C42 C45 C50 108.8(2) . .
C47 C46 C51 110.9(3) . .
C47 C46 C43 109.2(3) . .
C51 C46 C43 108.6(3) . .
C46 C47 C48 109.1(3) . .
C49 C48 C44 109.9(3) . .
C49 C48 C47 109.5(3) . .
C44 C48 C47 109.1(3) . .
C48 C49 C50 109.9(3) . .
C51 C50 C49 110.4(3) . .
C51 C50 C45 109.4(3) . .
C49 C50 C45 109.5(3) . .
C50 C51 C46 109.4(3) . .
C161 B100 C101 111.3(2) . .
C161 B100 C121 103.7(2) . .
C101 B100 C121 114.4(2) . .
C161 B100 C141 113.8(2) . .
C101 B100 C141 102.1(2) . .
C121 B100 C141 111.9(2) . .
C102 C101 C106 115.7(3) . .
C102 C101 B100 121.8(2) . .
C106 C101 B100 122.0(2) . .
C103 C102 C101 122.3(3) . .
C104 C103 C102 120.7(3) . .
C104 C103 C107 121.1(3) . .
C102 C103 C107 118.1(3) . .
C105 C104 C103 118.1(3) . .
C104 C105 C106 121.2(3) . .
C104 C105 C111 120.4(3) . .
C106 C105 C111 118.4(3) . .
C105 C106 C101 122.0(3) . .
C126 C121 C122 116.0(3) . .
C126 C121 B100 121.3(2) . .
C122 C121 B100 122.1(3) . .
C123 C122 C121 121.7(3) . .
C124 C123 C122 120.8(3) . .
C124 C123 C227 121.5(7) . .
C122 C123 C227 117.5(7) . .
C124 C123 C127 118.5(3) . .
C122 C123 C127 120.6(3) . .
C227 C123 C127 5.2(6) . .
C123 C124 C125 118.9(3) . .
C124 C125 C126 120.3(3) . .
C124 C125 C231 118.5(5) . .
C126 C125 C231 121.2(5) . .
C124 C125 C131 120.4(4) . .
C126 C125 C131 119.4(4) . .
C231 C125 C131 2.2(6) . .
C121 C126 C125 122.3(3) . .
C146 C141 C142 115.5(2) . .
C146 C141 B100 121.7(2) . .
C142 C141 B100 122.1(2) . .
C143 C142 C141 122.6(3) . .
C144 C143 C142 120.6(2) . .
C144 C143 C247 115.3(6) . .
C142 C143 C247 124.0(6) . .
C144 C143 C147 121.5(4) . .
C142 C143 C147 117.9(4) . .
C247 C143 C147 7.1(7) . .
C143 C144 C145 118.1(3) . .
C146 C145 C144 120.7(3) . .
C146 C145 C151 119.1(2) . .
C144 C145 C151 120.1(3) . .
C145 C146 C141 122.4(2) . .
C166 C161 C162 115.6(2) . .
C166 C161 B100 119.7(2) . .
C162 C161 B100 124.4(2) . .
C163 C162 C161 122.1(3) . .
C162 C163 C164 120.7(3) . .
C162 C163 C267 119.2(5) . .
C164 C163 C267 120.0(5) . .
C162 C163 C167 121.0(3) . .
C164 C163 C167 118.3(3) . .
C267 C163 C167 4.3(6) . .
C165 C164 C163 118.0(3) . .
C164 C165 C166 121.1(3) . .
C164 C165 C271 117.9(5) . .
C166 C165 C271 120.5(5) . .
C164 C165 C171 120.3(3) . .
C166 C165 C171 118.6(3) . .
C271 C165 C171 9.3(6) . .
C165 C166 C161 122.6(3) . .
F109 C107 F110 107.2(4) . .
F109 C107 F108 108.0(3) . .
F110 C107 F108 103.6(3) . .
F109 C107 C103 112.9(3) . .
F110 C107 C103 112.0(3) . .
F108 C107 C103 112.6(3) . .
F114 C111 F113 106.1(4) . .
F114 C111 F112 104.4(3) . .
F113 C111 F112 105.8(3) . .
F114 C111 C105 113.7(3) . .
F113 C111 C105 113.7(3) . .
F112 C111 C105 112.3(4) . .
F152 C151 F154 106.4(3) . .
F152 C151 F153 106.3(3) . .
F154 C151 F153 103.2(3) . .
F152 C151 C145 114.5(3) . .
F154 C151 C145 112.9(3) . .
F153 C151 C145 112.6(3) . .
F130 C127 F129 107.4(4) . .
F130 C127 F128 103.7(3) . .
F129 C127 F128 104.4(3) . .
F130 C127 C123 112.7(3) . .
F129 C127 C123 114.5(3) . .
F128 C127 C123 113.2(3) . .
F133 C131 F132 106.8(5) . .
F133 C131 F134 108.8(6) . .
F132 C131 F134 101.0(6) . .
F133 C131 C125 114.7(5) . .
F132 C131 C125 112.4(5) . .
F134 C131 C125 112.1(5) . .
F149 C147 F148 106.1(5) . .
F149 C147 F150 105.5(5) . .
F148 C147 F150 102.6(6) . .
F149 C147 C143 113.3(5) . .
F148 C147 C143 113.0(5) . .
F150 C147 C143 115.2(5) . .
F168 C167 F169 107.5(5) . .
F168 C167 F170 102.7(4) . .
F169 C167 F170 103.6(4) . .
F168 C167 C163 112.9(4) . .
F169 C167 C163 114.7(3) . .
F170 C167 C163 114.4(4) . .
F173 C171 F172 104.5(4) . .
F173 C171 F174 108.2(4) . .
F172 C171 F174 104.6(4) . .
F173 C171 C165 113.8(4) . .
F172 C171 C165 112.7(4) . .
F174 C171 C165 112.4(4) . .
F230 C227 F229 110.3(15) . .
F230 C227 F228 102.8(14) . .
F229 C227 F228 103.7(14) . .
F230 C227 C123 116.9(12) . .
F229 C227 C123 108.5(12) . .
F228 C227 C123 113.8(13) . .
F233 C231 F232 105.9(8) . .
F233 C231 F234 104.0(8) . .
F232 C231 F234 101.4(8) . .
F233 C231 C125 113.7(7) . .
F232 C231 C125 116.2(8) . .
F234 C231 C125 114.2(7) . .
F249 C247 F248 105.7(9) . .
F249 C247 F250 104.2(10) . .
F248 C247 F250 107.5(10) . .
F249 C247 C143 111.6(9) . .
F248 C247 C143 116.8(8) . .
F250 C247 C143 110.2(8) . .
F268 C267 F269 107.3(11) . .
F268 C267 F270 105.5(10) . .
F269 C267 F270 101.2(11) . .
F268 C267 C163 115.8(10) . .
F269 C267 C163 114.8(9) . .
F270 C267 C163 110.8(10) . .
F273 C271 F274 107.0(12) . .
F273 C271 F272 104.5(11) . .
F274 C271 F272 97.2(12) . .
F273 C271 C165 120.7(11) . .
F274 C271 C165 115.4(9) . .
F272 C271 C165 109.0(10) . .
C302 O301 C305 103.9(5) . .
O301 C302 C303 111.4(7) . .
C302 C303 C304 101.0(6) . .
C305 C304 C303 106.3(7) . .
C304 C305 O301 109.9(7) . .
C405 O401 C402 104.9(5) . .
O401 C402 C403 105.7(6) . .
C404 C403 C402 107.6(6) . .
C403 C404 C405 105.5(6) . .
O401 C405 C404 103.4(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cr1 N41 1.648(2) .
Cr1 N1 1.992(2) .
Cr1 N8 1.9966(19) .
Cr1 N21 2.050(2) .
Cr1 N28 2.066(2) .
N1 C2 1.357(3) .
N1 C6 1.365(3) .
C2 C3 1.364(4) .
C3 C4 1.393(4) .
C4 C5 1.363(5) .
C5 C6 1.405(4) .
C6 C7 1.408(4) .
C7 N8 1.328(3) .
N8 C9 1.441(3) .
C9 C14 1.399(4) .
C9 C10 1.411(4) .
C10 C11 1.388(4) .
C10 C15 1.524(4) .
C11 C12 1.386(4) .
C12 C13 1.375(4) .
C13 C14 1.393(4) .
C14 C18 1.519(4) .
C15 C17 1.516(4) .
C15 C16 1.520(4) .
C18 C19 1.524(4) .
C18 C20 1.532(4) .
N21 C22 1.342(3) .
N21 C26 1.364(3) .
C22 C23 1.381(4) .
C23 C24 1.375(4) .
C24 C25 1.383(4) .
C25 C26 1.394(4) .
C26 C27 1.435(4) .
C27 N28 1.299(3) .
N28 C29 1.458(3) .
C29 C34 1.389(4) .
C29 C30 1.406(4) .
C30 C31 1.390(4) .
C30 C35 1.514(4) .
C31 C32 1.378(5) .
C32 C33 1.374(5) .
C33 C34 1.392(4) .
C34 C38 1.525(4) .
C35 C36 1.523(4) .
C35 C37 1.540(4) .
C38 C40 1.511(6) .
C38 C39 1.528(6) .
N41 C42 1.436(3) .
C42 C45 1.536(4) .
C42 C44 1.537(3) .
C42 C43 1.542(4) .
C43 C46 1.531(4) .
C44 C48 1.529(4) .
C45 C50 1.539(4) .
C46 C47 1.525(5) .
C46 C51 1.530(5) .
C47 C48 1.534(5) .
C48 C49 1.518(5) .
C49 C50 1.519(4) .
C50 C51 1.515(5) .
B100 C161 1.636(4) .
B100 C101 1.639(4) .
B100 C121 1.640(4) .
B100 C141 1.643(4) .
C101 C102 1.399(4) .
C101 C106 1.404(4) .
C102 C103 1.390(4) .
C103 C104 1.384(4) .
C103 C107 1.497(5) .
C104 C105 1.382(5) .
C105 C106 1.386(4) .
C105 C111 1.507(4) .
C121 C126 1.395(4) .
C121 C122 1.403(4) .
C122 C123 1.395(4) .
C123 C124 1.375(5) .
C123 C227 1.462(12) .
C123 C127 1.485(5) .
C124 C125 1.379(5) .
C125 C126 1.396(4) .
C125 C231 1.466(9) .
C125 C131 1.478(7) .
C141 C146 1.395(4) .
C141 C142 1.399(4) .
C142 C143 1.387(4) .
C143 C144 1.383(4) .
C143 C247 1.470(9) .
C143 C147 1.497(6) .
C144 C145 1.389(4) .
C145 C146 1.386(4) .
C145 C151 1.489(4) .
C161 C166 1.391(4) .
C161 C162 1.404(4) .
C162 C163 1.387(4) .
C163 C164 1.390(4) .
C163 C267 1.464(10) .
C163 C167 1.484(5) .
C164 C165 1.378(4) .
C165 C166 1.383(4) .
C165 C271 1.469(10) .
C165 C171 1.491(5) .
C107 F109 1.291(4) .
C107 F110 1.315(5) .
C107 F108 1.329(5) .
C111 F114 1.287(5) .
C111 F113 1.297(5) .
C111 F112 1.331(5) .
C151 F152 1.297(4) .
C151 F154 1.312(4) .
C151 F153 1.331(4) .
C127 F130 1.324(4) .
C127 F129 1.331(5) .
C127 F128 1.331(4) .
C131 F133 1.321(8) .
C131 F132 1.324(7) .
C131 F134 1.343(7) .
C147 F149 1.307(8) .
C147 F148 1.323(7) .
C147 F150 1.328(8) .
C167 F168 1.306(6) .
C167 F169 1.317(6) .
C167 F170 1.324(5) .
C171 F173 1.302(5) .
C171 F172 1.329(6) .
C171 F174 1.331(6) .
C227 F230 1.298(16) .
C227 F229 1.306(15) .
C227 F228 1.309(16) .
C231 F233 1.310(10) .
C231 F232 1.314(11) .
C231 F234 1.332(10) .
C247 F249 1.288(14) .
C247 F248 1.305(12) .
C247 F250 1.309(12) .
C267 F268 1.286(13) .
C267 F269 1.298(14) .
C267 F270 1.309(14) .
C271 F273 1.284(14) .
C271 F274 1.315(14) .
C271 F272 1.326(15) .
O301 C302 1.396(8) .
O301 C305 1.432(8) .
C302 C303 1.484(13) .
C303 C304 1.532(12) .
C304 C305 1.375(9) .
O401 C405 1.294(7) .
O401 C402 1.390(8) .
C402 C403 1.414(9) .
C403 C404 1.286(10) .
C404 C405 1.508(9) .
