# Electronic Supplementary Material (ESI) for Dalton Transactions.
# 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. 
# 
#######################################################################

data_2a2
_database_code_depnum_ccdc_archive 'CCDC 2289786'
loop_
_audit_author_name
_audit_author_address
'Stefano Zacchini'
;Universita di Bologna
Italy
;
_audit_update_record             
;
2023-08-21 deposited with the CCDC.	2024-02-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C23 H24 F3 Fe2 N O5 S'
_chemical_formula_weight         595.19

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 '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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   8.7756(5)
_cell_length_b                   18.6469(10)
_cell_length_c                   14.7205(8)
_cell_angle_alpha                90
_cell_angle_beta                 97.551(2)
_cell_angle_gamma                90
_cell_volume                     2387.9(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9847
_cell_measurement_theta_min      2.5835
_cell_measurement_theta_max      28.7935

_exptl_crystal_description       plate
_exptl_crystal_colour            brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.656
_exptl_crystal_F_000             1216
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.140
_exptl_absorpt_coefficient_mu    1.362
_shelx_estimated_absorpt_T_min   0.736
_shelx_estimated_absorpt_T_max   0.832
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.4303
_exptl_absorpt_correction_T_max  0.5635
_exptl_absorpt_process_details   
; 
 Data were corrected for Lorentz polarization and absorption
 effects (empirical absorption correction SADABS).
 R(int) =  0.1560 (selected reflections only, before parameter refinement)
 R(int) =  0.0581 (selected reflections only, after parameter refinement)
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            32076
_diffrn_reflns_av_unetI/netI     0.0279
_diffrn_reflns_av_R_equivalents  0.0416
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.772
_diffrn_reflns_theta_max         26.994
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             5097
_reflns_number_gt                4595
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'APEX3 (Bruker AXS, 2015)'
_computing_cell_refinement       'APEX3 (Bruker AXS, 2015)'
_computing_data_reduction        'SAINT (Bruker AXS, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'ORTEPIII (Johnson, 1996)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0276P)²+14.0008P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5097
_refine_ls_number_parameters     318
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0695
_refine_ls_R_factor_gt           0.0629
_refine_ls_wR_factor_ref         0.1450
_refine_ls_wR_factor_gt          0.1423
_refine_ls_goodness_of_fit_ref   1.229
_refine_ls_restrained_S_all      1.229
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
Fe1 Fe 0.16257(7) 0.17146(3) 0.49433(4) 0.01783(16) Uani 1 1 d . . . . .
Fe2 Fe 0.40312(7) 0.21427(3) 0.43253(4) 0.01763(16) Uani 1 1 d . . . . .
C1 C 0.0614(6) 0.2512(3) 0.5061(3) 0.0256(10) Uani 1 1 d . . . . .
C2 C 0.3431(5) 0.2160(2) 0.5546(3) 0.0200(9) Uani 1 1 d . . . . .
O1 O -0.0048(5) 0.3031(2) 0.5104(3) 0.0408(10) Uani 1 1 d . . . . .
O2 O 0.3947(4) 0.2352(2) 0.6282(2) 0.0295(8) Uani 1 1 d . . . . .
N1 N 0.3540(5) 0.3716(2) 0.4647(3) 0.0248(9) Uani 1 1 d . . . . .
C3 C 0.3357(5) 0.3077(2) 0.4329(3) 0.0198(9) Uani 1 1 d . . . . .
C4 C 0.2400(5) 0.2769(2) 0.3583(3) 0.0207(9) Uani 1 1 d . . . . .
H4 H 0.2562 0.2912 0.2948 0.025 Uiso 1 1 calc R U . . .
C5 C 0.1820(5) 0.2075(2) 0.3720(3) 0.0182(9) Uani 1 1 d . . . . .
C6 C 0.0985(6) 0.1731(3) 0.2862(3) 0.0258(10) Uani 1 1 d . . . . .
H6A H 0.0887 0.1208 0.2956 0.031 Uiso 1 1 calc R U . . .
H6B H 0.1571 0.1808 0.2340 0.031 Uiso 1 1 calc R U . . .
C7 C -0.0613(6) 0.2071(3) 0.2656(4) 0.0340(12) Uani 1 1 d . . . . .
H7A H -0.1098 0.2075 0.3227 0.041 Uiso 1 1 calc R U . . .
H7B H -0.0491 0.2576 0.2471 0.041 Uiso 1 1 calc R U . . .
C8 C -0.1693(7) 0.1695(4) 0.1909(4) 0.0411(15) Uani 1 1 d . . . . .
H8A H -0.2593 0.2007 0.1725 0.049 Uiso 1 1 calc R U . . .
H8B H -0.1153 0.1627 0.1366 0.049 Uiso 1 1 calc R U . . .
C9 C -0.2234(6) 0.0997(3) 0.2193(3) 0.0308(12) Uani 1 1 d . . . . .
C10 C -0.2743(6) 0.0455(3) 0.2433(4) 0.0335(12) Uani 1 1 d . . . . .
H10 H -0.3153 0.0018 0.2627 0.040 Uiso 1 1 calc R U . . .
C11 C 0.4861(6) 0.3906(3) 0.5320(4) 0.0332(12) Uani 1 1 d . . . . .
H11A H 0.5367 0.3468 0.5573 0.050 Uiso 1 1 calc R U . . .
H11B H 0.4509 0.4186 0.5816 0.050 Uiso 1 1 calc R U . . .
H11C H 0.5590 0.4192 0.5022 0.050 Uiso 1 1 calc R U . . .
C12 C 0.2514(7) 0.4305(3) 0.4321(4) 0.0346(12) Uani 1 1 d . . . . .
H12A H 0.1699 0.4125 0.3858 0.052 Uiso 1 1 calc R U . . .
H12B H 0.3100 0.4677 0.4050 0.052 Uiso 1 1 calc R U . . .
H12C H 0.2054 0.4507 0.4836 0.052 Uiso 1 1 calc R U . . .
C101 C 0.1590(7) 0.0609(3) 0.4636(4) 0.0350(13) Uani 1 1 d . . . . .
H101 H 0.2021 0.0378 0.4113 0.042 Uiso 1 1 calc R U . . .
C102 C 0.0077(7) 0.0864(3) 0.4628(4) 0.0392(15) Uani 1 1 d . . . . .
H102 H -0.0757 0.0845 0.4096 0.047 Uiso 1 1 calc R U . . .
C103 C -0.0072(6) 0.1122(3) 0.5498(4) 0.0337(12) Uani 1 1 d . . . . .
H103 H -0.1032 0.1323 0.5697 0.040 Uiso 1 1 calc R U . . .
C104 C 0.1332(6) 0.1031(3) 0.6055(4) 0.0303(11) Uani 1 1 d . . . . .
H104 H 0.1552 0.1157 0.6719 0.036 Uiso 1 1 calc R U . . .
C105 C 0.2366(6) 0.0716(3) 0.5524(4) 0.0300(11) Uani 1 1 d . . . . .
H105 H 0.3452 0.0577 0.5743 0.036 Uiso 1 1 calc R U . . .
C201 C 0.5062(7) 0.1358(4) 0.3621(7) 0.069(3) Uani 1 1 d . . . . .
H201 H 0.4551 0.0987 0.3195 0.083 Uiso 1 1 calc R U . . .
C202 C 0.5548(8) 0.1293(4) 0.4552(6) 0.059(2) Uani 1 1 d . . . . .
H202 H 0.5399 0.0861 0.4933 0.071 Uiso 1 1 calc R U . . .
C203 C 0.6260(7) 0.1899(5) 0.4860(5) 0.063(2) Uani 1 1 d . . . . .
H203 H 0.6728 0.1989 0.5507 0.075 Uiso 1 1 calc R U . . .
C204 C 0.6290(7) 0.2348(4) 0.4174(6) 0.055(2) Uani 1 1 d . . . . .
H204 H 0.6783 0.2832 0.4222 0.066 Uiso 1 1 calc R U . . .
C205 C 0.5561(8) 0.2060(5) 0.3399(5) 0.056(2) Uani 1 1 d . . . . .
H205 H 0.5454 0.2281 0.2774 0.067 Uiso 1 1 calc R U . . .
C301 C 0.7886(7) 0.4582(4) 0.3058(4) 0.0414(14) Uani 1 1 d . . . . .
F1 F 0.7426(5) 0.5247(2) 0.3266(3) 0.0642(12) Uani 1 1 d . . . . .
F2 F 0.9107(4) 0.4665(2) 0.2634(3) 0.0571(11) Uani 1 1 d . . . . .
F3 F 0.8321(5) 0.4244(3) 0.3844(3) 0.0704(13) Uani 1 1 d . . . . .
S1 S 0.63570(15) 0.41094(7) 0.23580(9) 0.0302(3) Uani 1 1 d . . . . .
O11 O 0.7108(5) 0.3453(2) 0.2157(3) 0.0461(11) Uani 1 1 d . . . . .
O12 O 0.5184(5) 0.4039(3) 0.2933(3) 0.0493(11) Uani 1 1 d . . . . .
O13 O 0.5987(5) 0.4585(2) 0.1596(3) 0.0420(10) Uani 1 1 d . . . . .


_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
Fe1 C1 1.753(5) . ?
Fe1 C2 1.903(5) . ?
Fe1 C5 1.950(4) . ?
Fe1 C102 2.100(5) . ?
Fe1 C103 2.103(5) . ?
Fe1 C101 2.109(5) . ?
Fe1 C105 2.114(5) . ?
Fe1 C104 2.116(5) . ?
Fe1 Fe2 2.5349(9) . ?
Fe2 C3 1.841(5) . ?
Fe2 C2 1.938(5) . ?
Fe2 C5 2.029(4) . ?
Fe2 C205 2.042(6) . ?
Fe2 C4 2.049(4) . ?
Fe2 C204 2.060(6) . ?
Fe2 C203 2.061(6) . ?
Fe2 C202 2.068(6) . ?
Fe2 C201 2.069(6) . ?
C1 O1 1.135(6) . ?
C2 O2 1.173(6) . ?
N1 C3 1.282(6) . ?
N1 C12 1.460(6) . ?
N1 C11 1.466(6) . ?
C3 C4 1.414(6) . ?
C4 C5 1.414(6) . ?
C4 H4 1.0000 . ?
C5 C6 1.518(6) . ?
C6 C7 1.533(7) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.525(7) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.465(8) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.178(8) . ?
C10 H10 0.9500 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C101 C105 1.406(8) . ?
C101 C102 1.408(9) . ?
C101 H101 1.0000 . ?
C102 C103 1.389(8) . ?
C102 H102 1.0000 . ?
C103 C104 1.397(8) . ?
C103 H103 1.0000 . ?
C104 C105 1.402(8) . ?
C104 H104 1.0000 . ?
C105 H105 1.0000 . ?
C201 C202 1.386(12) . ?
C201 C205 1.432(11) . ?
C201 H201 1.0000 . ?
C202 C203 1.341(12) . ?
C202 H202 1.0000 . ?
C203 C204 1.314(11) . ?
C203 H203 1.0000 . ?
C204 C205 1.345(11) . ?
C204 H204 1.0000 . ?
C205 H205 1.0000 . ?
C301 F2 1.318(7) . ?
C301 F3 1.329(7) . ?
C301 F1 1.350(7) . ?
C301 S1 1.810(6) . ?
S1 O12 1.422(4) . ?
S1 O13 1.433(4) . ?
S1 O11 1.439(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
_geom_angle_publ_flag
C1 Fe1 C2 89.1(2) . . ?
C1 Fe1 C5 84.6(2) . . ?
C2 Fe1 C5 96.39(19) . . ?
C1 Fe1 C102 109.9(2) . . ?
C2 Fe1 C102 155.2(2) . . ?
C5 Fe1 C102 100.9(2) . . ?
C1 Fe1 C103 90.8(2) . . ?
C2 Fe1 C103 129.6(2) . . ?
C5 Fe1 C103 133.8(2) . . ?
C102 Fe1 C103 38.6(2) . . ?
C1 Fe1 C101 149.0(2) . . ?
C2 Fe1 C101 121.0(2) . . ?
C5 Fe1 C101 98.0(2) . . ?
C102 Fe1 C101 39.1(2) . . ?
C103 Fe1 C101 65.1(2) . . ?
C1 Fe1 C105 147.1(2) . . ?
C2 Fe1 C105 90.2(2) . . ?
C5 Fe1 C105 128.1(2) . . ?
C102 Fe1 C105 65.2(2) . . ?
C103 Fe1 C105 64.9(2) . . ?
C101 Fe1 C105 38.9(2) . . ?
C1 Fe1 C104 108.6(2) . . ?
C2 Fe1 C104 94.7(2) . . ?
C5 Fe1 C104 162.9(2) . . ?
C102 Fe1 C104 64.8(2) . . ?
C103 Fe1 C104 38.7(2) . . ?
C101 Fe1 C104 65.0(2) . . ?
C105 Fe1 C104 38.7(2) . . ?
C1 Fe1 Fe2 103.00(17) . . ?
C2 Fe1 Fe2 49.31(14) . . ?
C5 Fe1 Fe2 51.83(13) . . ?
C102 Fe1 Fe2 134.72(19) . . ?
C103 Fe1 Fe2 165.98(16) . . ?
C101 Fe1 Fe2 102.73(16) . . ?
C105 Fe1 Fe2 101.31(14) . . ?
C104 Fe1 Fe2 131.22(15) . . ?
C3 Fe2 C2 81.6(2) . . ?
C3 Fe2 C5 76.73(19) . . ?
C2 Fe2 C5 92.72(18) . . ?
C3 Fe2 C205 108.3(3) . . ?
C2 Fe2 C205 154.6(2) . . ?
C5 Fe2 C205 112.1(3) . . ?
C3 Fe2 C4 42.21(19) . . ?
C2 Fe2 C4 103.24(19) . . ?
C5 Fe2 C4 40.58(18) . . ?
C205 Fe2 C4 99.3(2) . . ?
C3 Fe2 C204 98.0(2) . . ?
C2 Fe2 C204 118.6(3) . . ?
C5 Fe2 C204 147.4(3) . . ?
C205 Fe2 C204 38.3(3) . . ?
C4 Fe2 C204 116.8(3) . . ?
C3 Fe2 C203 119.8(3) . . ?
C2 Fe2 C203 90.5(3) . . ?
C5 Fe2 C203 163.5(3) . . ?
C205 Fe2 C203 64.2(3) . . ?
C4 Fe2 C203 153.0(3) . . ?
C204 Fe2 C203 37.2(3) . . ?
C3 Fe2 C202 157.7(3) . . ?
C2 Fe2 C202 96.4(3) . . ?
C5 Fe2 C202 125.6(3) . . ?
C205 Fe2 C202 65.4(3) . . ?
C4 Fe2 C202 155.9(3) . . ?
C204 Fe2 C202 63.3(3) . . ?
C203 Fe2 C202 37.9(3) . . ?
C3 Fe2 C201 146.4(3) . . ?
C2 Fe2 C201 131.8(3) . . ?
C5 Fe2 C201 101.1(2) . . ?
C205 Fe2 C201 40.8(3) . . ?
C4 Fe2 C201 117.2(3) . . ?
C204 Fe2 C201 65.6(3) . . ?
C203 Fe2 C201 65.2(3) . . ?
C202 Fe2 C201 39.1(3) . . ?
C3 Fe2 Fe1 90.78(14) . . ?
C2 Fe2 Fe1 48.10(14) . . ?
C5 Fe2 Fe1 49.07(12) . . ?
C205 Fe2 Fe1 150.2(3) . . ?
C4 Fe2 Fe1 79.31(13) . . ?
C204 Fe2 Fe1 162.9(3) . . ?
C203 Fe2 Fe1 125.9(3) . . ?
C202 Fe2 Fe1 104.46(18) . . ?
C201 Fe2 Fe1 113.4(2) . . ?
O1 C1 Fe1 177.5(4) . . ?
O2 C2 Fe1 139.5(4) . . ?
O2 C2 Fe2 137.9(4) . . ?
Fe1 C2 Fe2 82.58(18) . . ?
C3 N1 C12 122.4(4) . . ?
C3 N1 C11 121.4(4) . . ?
C12 N1 C11 116.0(4) . . ?
N1 C3 C4 134.0(4) . . ?
N1 C3 Fe2 148.8(4) . . ?
C4 C3 Fe2 76.8(3) . . ?
C3 C4 C5 116.6(4) . . ?
C3 C4 Fe2 61.0(2) . . ?
C5 C4 Fe2 69.0(3) . . ?
C3 C4 H4 118.4 . . ?
C5 C4 H4 118.4 . . ?
Fe2 C4 H4 118.4 . . ?
C4 C5 C6 114.3(4) . . ?
C4 C5 Fe1 121.6(3) . . ?
C6 C5 Fe1 122.1(3) . . ?
C4 C5 Fe2 70.4(3) . . ?
C6 C5 Fe2 136.1(3) . . ?
Fe1 C5 Fe2 79.10(16) . . ?
C5 C6 C7 108.6(4) . . ?
C5 C6 H6A 110.0 . . ?
C7 C6 H6A 110.0 . . ?
C5 C6 H6B 110.0 . . ?
C7 C6 H6B 110.0 . . ?
H6A C6 H6B 108.3 . . ?
C8 C7 C6 114.7(5) . . ?
C8 C7 H7A 108.6 . . ?
C6 C7 H7A 108.6 . . ?
C8 C7 H7B 108.6 . . ?
C6 C7 H7B 108.6 . . ?
H7A C7 H7B 107.6 . . ?
C9 C8 C7 113.4(5) . . ?
C9 C8 H8A 108.9 . . ?
C7 C8 H8A 108.9 . . ?
C9 C8 H8B 108.9 . . ?
C7 C8 H8B 108.9 . . ?
H8A C8 H8B 107.7 . . ?
C10 C9 C8 176.2(6) . . ?
C9 C10 H10 180.0 . . ?
N1 C11 H11A 109.5 . . ?
N1 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
N1 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N1 C12 H12A 109.5 . . ?
N1 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
N1 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C105 C101 C102 107.5(5) . . ?
C105 C101 Fe1 70.8(3) . . ?
C102 C101 Fe1 70.1(3) . . ?
C105 C101 H101 126.2 . . ?
C102 C101 H101 126.2 . . ?
Fe1 C101 H101 126.2 . . ?
C103 C102 C101 108.2(5) . . ?
C103 C102 Fe1 70.8(3) . . ?
C101 C102 Fe1 70.8(3) . . ?
C103 C102 H102 125.9 . . ?
C101 C102 H102 125.9 . . ?
Fe1 C102 H102 125.9 . . ?
C102 C103 C104 108.4(5) . . ?
C102 C103 Fe1 70.6(3) . . ?
C104 C103 Fe1 71.2(3) . . ?
C102 C103 H103 125.8 . . ?
C104 C103 H103 125.8 . . ?
Fe1 C103 H103 125.8 . . ?
C103 C104 C105 108.0(5) . . ?
C103 C104 Fe1 70.2(3) . . ?
C105 C104 Fe1 70.6(3) . . ?
C103 C104 H104 126.0 . . ?
C105 C104 H104 126.0 . . ?
Fe1 C104 H104 126.0 . . ?
C104 C105 C101 107.9(5) . . ?
C104 C105 Fe1 70.7(3) . . ?
C101 C105 Fe1 70.4(3) . . ?
C104 C105 H105 126.0 . . ?
C101 C105 H105 126.0 . . ?
Fe1 C105 H105 126.0 . . ?
C202 C201 C205 104.0(6) . . ?
C202 C201 Fe2 70.4(4) . . ?
C205 C201 Fe2 68.6(4) . . ?
C202 C201 H201 127.9 . . ?
C205 C201 H201 127.9 . . ?
Fe2 C201 H201 127.9 . . ?
C203 C202 C201 109.3(7) . . ?
C203 C202 Fe2 70.8(4) . . ?
C201 C202 Fe2 70.4(4) . . ?
C203 C202 H202 125.4 . . ?
C201 C202 H202 125.4 . . ?
Fe2 C202 H202 125.4 . . ?
C204 C203 C202 109.4(7) . . ?
C204 C203 Fe2 71.4(4) . . ?
C202 C203 Fe2 71.3(4) . . ?
C204 C203 H203 125.3 . . ?
C202 C203 H203 125.3 . . ?
Fe2 C203 H203 125.3 . . ?
C203 C204 C205 110.0(7) . . ?
C203 C204 Fe2 71.4(4) . . ?
C205 C204 Fe2 70.1(4) . . ?
C203 C204 H204 125.0 . . ?
C205 C204 H204 125.0 . . ?
Fe2 C204 H204 125.0 . . ?
C204 C205 C201 107.2(6) . . ?
C204 C205 Fe2 71.6(4) . . ?
C201 C205 Fe2 70.6(3) . . ?
C204 C205 H205 126.3 . . ?
C201 C205 H205 126.3 . . ?
Fe2 C205 H205 126.3 . . ?
F2 C301 F3 108.0(5) . . ?
F2 C301 F1 106.6(5) . . ?
F3 C301 F1 107.4(5) . . ?
F2 C301 S1 112.1(4) . . ?
F3 C301 S1 111.8(5) . . ?
F1 C301 S1 110.8(4) . . ?
O12 S1 O13 114.6(3) . . ?
O12 S1 O11 115.5(3) . . ?
O13 S1 O11 115.3(3) . . ?
O12 S1 C301 104.3(3) . . ?
O13 S1 C301 102.6(3) . . ?
O11 S1 C301 101.9(3) . . ?

_refine_diff_density_max         1.498
_refine_diff_density_min         -0.606
_refine_diff_density_rms         0.121

####################################################################### 
# 
# 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_4a1
_database_code_depnum_ccdc_archive 'CCDC 2289787'
loop_
_audit_author_name
_audit_author_address
'Stefano Zacchini'
;Universita di Bologna
Italy
;
_audit_update_record             
;
2023-08-21 deposited with the CCDC.	2024-02-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H17 Fe N O2'
_chemical_formula_weight         359.20

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'
Fe Fe 0.3463 0.8444 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   8.0498(13)
_cell_length_b                   15.316(3)
_cell_length_c                   13.650(2)
_cell_angle_alpha                90
_cell_angle_beta                 100.963(10)
_cell_angle_gamma                90
_cell_volume                     1652.2(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9672
_cell_measurement_theta_min      2.9015
_cell_measurement_theta_max      34.832

_exptl_crystal_description       prism
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.444
_exptl_crystal_F_000             744
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.190
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    0.924
_shelx_estimated_absorpt_T_min   0.844
_shelx_estimated_absorpt_T_max   0.874
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.6656
_exptl_absorpt_correction_T_max  0.7469
_exptl_absorpt_process_details   
; 
 Data were corrected for Lorentz polarization and absorption
 effects (empirical absorption correction SADABS).
 R(int) =  0.1414 (selected reflections only, before parameter refinement)
 R(int) =  0.0536 (selected reflections only, after parameter refinement)
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            24938
_diffrn_reflns_av_unetI/netI     0.0167
_diffrn_reflns_av_R_equivalents  0.0286
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.019
_diffrn_reflns_theta_max         26.996
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             3607
_reflns_number_gt                3391
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'APEX3 (Bruker AXS, 2015)'
_computing_cell_refinement       'APEX3 (Bruker AXS, 2015)'
_computing_data_reduction        'SAINT (Bruker AXS, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'ORTEPIII (Johnson, 1996)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0326P)²+1.2421P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3607
_refine_ls_number_parameters     219
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0330
_refine_ls_R_factor_gt           0.0310
_refine_ls_wR_factor_ref         0.0764
_refine_ls_wR_factor_gt          0.0753
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_restrained_S_all      1.103
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Fe1 Fe 0.45146(3) 0.20277(2) 0.36654(2) 0.01539(8) Uani 1 1 d . . . . .
N1 N 0.42833(19) 0.32596(9) 0.19989(10) 0.0215(3) Uani 1 1 d . . . . .
O1 O 0.81507(17) 0.20366(9) 0.38932(11) 0.0335(3) Uani 1 1 d . . . . .
O2 O 0.54412(15) 0.26932(8) 0.56364(9) 0.0220(3) Uani 1 1 d . . . . .
C1 C 0.6708(2) 0.20495(11) 0.37839(12) 0.0211(3) Uani 1 1 d . . . . .
C2 C 0.4126(2) 0.31026(10) 0.29247(12) 0.0179(3) Uani 1 1 d . . . . .
C3 C 0.3518(2) 0.38083(11) 0.34972(12) 0.0201(3) Uani 1 1 d . . . . .
H3 H 0.2997 0.4321 0.3189 0.024 Uiso 1 1 calc R U . . .
C4 C 0.3751(2) 0.36747(10) 0.44881(12) 0.0178(3) Uani 1 1 d . . . . .
C5 C 0.4688(2) 0.28139(10) 0.47789(12) 0.0169(3) Uani 1 1 d . . . . .
C6 C 0.3868(3) 0.40896(13) 0.14578(14) 0.0342(5) Uani 1 1 d . . . . .
H6A H 0.2747 0.4045 0.1030 0.051 Uiso 1 1 calc R U . . .
H6B H 0.4715 0.4210 0.1046 0.051 Uiso 1 1 calc R U . . .
H6C H 0.3869 0.4565 0.1939 0.051 Uiso 1 1 calc R U . . .
C7 C 0.4861(3) 0.25861(12) 0.13784(13) 0.0258(4) Uani 1 1 d . . . . .
H7A H 0.5295 0.2084 0.1795 0.039 Uiso 1 1 calc R U . . .
H7B H 0.5763 0.2824 0.1065 0.039 Uiso 1 1 calc R U . . .
H7C H 0.3913 0.2400 0.0860 0.039 Uiso 1 1 calc R U . . .
C8 C 0.3203(2) 0.42791(11) 0.52100(12) 0.0182(3) Uani 1 1 d . . . . .
C9 C 0.2586(2) 0.51164(11) 0.49213(13) 0.0242(4) Uani 1 1 d . . . . .
H9 H 0.2585 0.5308 0.4259 0.029 Uiso 1 1 calc R U . . .
C10 C 0.1981(2) 0.56690(12) 0.55732(13) 0.0258(4) Uani 1 1 d . . . . .
H10 H 0.1545 0.6226 0.5350 0.031 Uiso 1 1 calc R U . . .
C11 C 0.2006(2) 0.54143(11) 0.65596(13) 0.0218(3) Uani 1 1 d . . . . .
C12 C 0.2659(2) 0.45915(12) 0.68661(13) 0.0264(4) Uani 1 1 d . . . . .
H12 H 0.2710 0.4414 0.7538 0.032 Uiso 1 1 calc R U . . .
C13 C 0.3233(2) 0.40306(12) 0.62065(13) 0.0243(4) Uani 1 1 d . . . . .
H13 H 0.3652 0.3471 0.6430 0.029 Uiso 1 1 calc R U . . .
C14 C 0.1339(2) 0.59788(12) 0.72427(13) 0.0252(4) Uani 1 1 d . . . . .
C15 C 0.0738(2) 0.64306(12) 0.77842(13) 0.0276(4) Uani 1 1 d . . . . .
H15 H 0.0254 0.6794 0.8220 0.033 Uiso 1 1 calc R U . . .
C101 C 0.2448(2) 0.13916(12) 0.27241(14) 0.0265(4) Uani 1 1 d . . . . .
H101 H 0.1825 0.1614 0.2067 0.032 Uiso 1 1 calc R U . . .
C102 C 0.3840(2) 0.08337(11) 0.28639(14) 0.0252(4) Uani 1 1 d . . . . .
H102 H 0.4392 0.0589 0.2327 0.030 Uiso 1 1 calc R U . . .
C103 C 0.4332(2) 0.06717(12) 0.39033(15) 0.0279(4) Uani 1 1 d . . . . .
H103 H 0.5279 0.0282 0.4222 0.033 Uiso 1 1 calc R U . . .
C104 C 0.3220(3) 0.11148(13) 0.43997(14) 0.0304(4) Uani 1 1 d . . . . .
H104 H 0.3225 0.1094 0.5133 0.036 Uiso 1 1 calc R U . . .
C105 C 0.2041(2) 0.15767(13) 0.36729(16) 0.0307(4) Uani 1 1 d . . . . .
H105 H 0.1068 0.1936 0.3801 0.037 Uiso 1 1 calc R U . . .


_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
Fe1 C1 1.7426(18) . ?
Fe1 C5 1.9232(16) . ?
Fe1 C2 1.9261(17) . ?
Fe1 C104 2.1079(18) . ?
Fe1 C105 2.1095(18) . ?
Fe1 C103 2.1115(18) . ?
Fe1 C101 2.1344(17) . ?
Fe1 C102 2.1473(17) . ?
N1 C2 1.316(2) . ?
N1 C7 1.466(2) . ?
N1 C6 1.476(2) . ?
O1 C1 1.142(2) . ?
O2 C5 1.226(2) . ?
C2 C3 1.471(2) . ?
C3 C4 1.345(2) . ?
C3 H3 0.9500 . ?
C4 C8 1.479(2) . ?
C4 C5 1.533(2) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C9 1.404(2) . ?
C8 C13 1.408(2) . ?
C9 C10 1.382(2) . ?
C9 H9 0.9500 . ?
C10 C11 1.398(2) . ?
C10 H10 0.9500 . ?
C11 C12 1.398(3) . ?
C11 C14 1.448(2) . ?
C12 C13 1.386(2) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C14 C15 1.181(3) . ?
C15 H15 0.9500 . ?
C101 C102 1.393(3) . ?
C101 C105 1.423(3) . ?
C101 H101 1.0000 . ?
C102 C103 1.421(3) . ?
C102 H102 1.0000 . ?
C103 C104 1.397(3) . ?
C103 H103 1.0000 . ?
C104 C105 1.424(3) . ?
C104 H104 1.0000 . ?
C105 H105 1.0000 . ?

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
C1 Fe1 C5 89.71(7) . . ?
C1 Fe1 C2 95.32(7) . . ?
C5 Fe1 C2 81.95(7) . . ?
C1 Fe1 C104 123.54(8) . . ?
C5 Fe1 C104 90.43(7) . . ?
C2 Fe1 C104 140.45(8) . . ?
C1 Fe1 C105 161.19(8) . . ?
C5 Fe1 C105 97.34(7) . . ?
C2 Fe1 C105 102.91(8) . . ?
C104 Fe1 C105 39.46(8) . . ?
C1 Fe1 C103 95.93(8) . . ?
C5 Fe1 C103 119.40(7) . . ?
C2 Fe1 C103 155.83(7) . . ?
C104 Fe1 C103 38.68(8) . . ?
C105 Fe1 C103 65.41(8) . . ?
C1 Fe1 C101 136.45(8) . . ?
C5 Fe1 C101 133.83(7) . . ?
C2 Fe1 C101 92.52(7) . . ?
C104 Fe1 C101 65.43(7) . . ?
C105 Fe1 C101 39.19(8) . . ?
C103 Fe1 C101 64.82(7) . . ?
C1 Fe1 C102 102.55(7) . . ?
C5 Fe1 C102 155.39(7) . . ?
C2 Fe1 C102 117.41(7) . . ?
C104 Fe1 C102 64.99(7) . . ?
C105 Fe1 C102 64.91(7) . . ?
C103 Fe1 C102 38.96(7) . . ?
C101 Fe1 C102 37.98(7) . . ?
C2 N1 C7 121.69(14) . . ?
C2 N1 C6 125.74(15) . . ?
C7 N1 C6 112.54(14) . . ?
O1 C1 Fe1 177.01(16) . . ?
N1 C2 C3 118.57(14) . . ?
N1 C2 Fe1 128.66(13) . . ?
C3 C2 Fe1 112.72(12) . . ?
C4 C3 C2 115.17(15) . . ?
C4 C3 H3 122.4 . . ?
C2 C3 H3 122.4 . . ?
C3 C4 C8 124.90(15) . . ?
C3 C4 C5 111.04(14) . . ?
C8 C4 C5 124.06(14) . . ?
O2 C5 C4 120.44(15) . . ?
O2 C5 Fe1 127.50(13) . . ?
C4 C5 Fe1 112.06(11) . . ?
N1 C6 H6A 109.5 . . ?
N1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
N1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
N1 C7 H7A 109.5 . . ?
N1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
N1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C9 C8 C13 117.26(15) . . ?
C9 C8 C4 121.26(15) . . ?
C13 C8 C4 121.45(15) . . ?
C10 C9 C8 121.84(16) . . ?
C10 C9 H9 119.1 . . ?
C8 C9 H9 119.1 . . ?
C9 C10 C11 120.46(17) . . ?
C9 C10 H10 119.8 . . ?
C11 C10 H10 119.8 . . ?
C10 C11 C12 118.37(16) . . ?
C10 C11 C14 120.96(16) . . ?
C12 C11 C14 120.65(16) . . ?
C13 C12 C11 121.13(16) . . ?
C13 C12 H12 119.4 . . ?
C11 C12 H12 119.4 . . ?
C12 C13 C8 120.89(16) . . ?
C12 C13 H13 119.6 . . ?
C8 C13 H13 119.6 . . ?
C15 C14 C11 177.6(2) . . ?
C14 C15 H15 180.0 . . ?
C102 C101 C105 108.41(16) . . ?
C102 C101 Fe1 71.51(10) . . ?
C105 C101 Fe1 69.46(10) . . ?
C102 C101 H101 125.8 . . ?
C105 C101 H101 125.8 . . ?
Fe1 C101 H101 125.8 . . ?
C101 C102 C103 107.96(17) . . ?
C101 C102 Fe1 70.51(10) . . ?
C103 C102 Fe1 69.16(10) . . ?
C101 C102 H102 126.0 . . ?
C103 C102 H102 126.0 . . ?
Fe1 C102 H102 126.0 . . ?
C104 C103 C102 108.46(17) . . ?
C104 C103 Fe1 70.52(11) . . ?
C102 C103 Fe1 71.88(10) . . ?
C104 C103 H103 125.7 . . ?
C102 C103 H103 125.7 . . ?
Fe1 C103 H103 125.7 . . ?
C103 C104 C105 107.89(17) . . ?
C103 C104 Fe1 70.80(11) . . ?
C105 C104 Fe1 70.33(11) . . ?
C103 C104 H104 126.0 . . ?
C105 C104 H104 126.0 . . ?
Fe1 C104 H104 126.0 . . ?
C101 C105 C104 107.27(17) . . ?
C101 C105 Fe1 71.35(10) . . ?
C104 C105 Fe1 70.21(11) . . ?
C101 C105 H105 126.3 . . ?
C104 C105 H105 126.3 . . ?
Fe1 C105 H105 126.3 . . ?

_refine_diff_density_max         0.345
_refine_diff_density_min         -0.273
_refine_diff_density_rms         0.055

