# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_1-Co
_database_code_depnum_ccdc_archive 'CCDC 1968362'
loop_
_audit_author_name
_audit_author_address
'Lei Chen'
;Jiangsu University of Science and Technology
China
;
_audit_update_record             
;
2019-11-27 deposited with the CCDC.	2020-01-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C31 H31 B2 Co F8 N7 O0'
_chemical_formula_weight         734.18

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'
O O 0.0106 0.0060 '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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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, -z'

_cell_length_a                   11.2070(3)
_cell_length_b                   12.5604(4)
_cell_length_c                   13.5908(4)
_cell_angle_alpha                71.015(2)
_cell_angle_beta                 67.784(2)
_cell_angle_gamma                70.936(2)
_cell_volume                     1628.81(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    4317
_cell_measurement_theta_min      2.191
_cell_measurement_theta_max      23.966

_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.497
_exptl_crystal_F_000             750
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    0.608
_shelx_estimated_absorpt_T_min   0.909
_shelx_estimated_absorpt_T_max   0.953
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.901
_exptl_absorpt_correction_T_max  0.950
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            15037
_diffrn_reflns_av_unetI/netI     0.0382
_diffrn_reflns_av_R_equivalents  0.0232
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.663
_diffrn_reflns_theta_max         27.634
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.947
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.947
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.947
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             7184
_reflns_number_gt                5451
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.0530P)²+0.6427P] 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         7184
_refine_ls_number_parameters     442
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0630
_refine_ls_R_factor_gt           0.0428
_refine_ls_wR_factor_ref         0.1144
_refine_ls_wR_factor_gt          0.1012
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_restrained_S_all      1.018
_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
Co1 Co 0.85852(3) 0.70815(3) 0.72950(2) 0.03247(10) Uani 1 1 d . . . . .
N1 N 1.02704(18) 0.76445(17) 0.73989(16) 0.0374(4) Uani 1 1 d . . . . .
N2 N 0.8074(2) 0.9288(2) 0.67987(19) 0.0510(5) Uani 1 1 d . . . . .
N3 N 0.78070(19) 0.75963(16) 0.87916(16) 0.0375(4) Uani 1 1 d . . . . .
N4 N 1.03564(18) 0.66686(17) 0.58755(16) 0.0371(4) Uani 1 1 d . . . . .
N5 N 0.91768(19) 0.50767(16) 0.79149(16) 0.0397(5) Uani 1 1 d . . . . .
N6 N 0.74581(19) 0.75563(17) 0.61552(16) 0.0397(5) Uani 1 1 d . . . . .
N7 N 0.66515(18) 0.64847(16) 0.82566(16) 0.0359(4) Uani 1 1 d . . . . .
C1 C 1.1525(2) 0.6850(2) 0.6970(2) 0.0449(6) Uani 1 1 d . . . . .
H1A H 1.163510 0.613727 0.752256 0.054 Uiso 1 1 calc R U . . .
H1B H 1.225730 0.719800 0.679670 0.054 Uiso 1 1 calc R U . . .
C2 C 1.1544(2) 0.6585(2) 0.5965(2) 0.0390(5) Uani 1 1 d . . . . .
C3 C 1.2720(3) 0.6184(2) 0.5219(2) 0.0525(7) Uani 1 1 d . . . . .
H3 H 1.352515 0.615067 0.529027 0.063 Uiso 1 1 calc R U . . .
C4 C 1.2695(3) 0.5833(3) 0.4373(2) 0.0604(8) Uani 1 1 d . . . . .
H4 H 1.348042 0.555675 0.386782 0.072 Uiso 1 1 calc R U . . .
C5 C 1.1493(3) 0.5898(3) 0.4283(2) 0.0567(7) Uani 1 1 d . . . . .
H5 H 1.144910 0.565998 0.371997 0.068 Uiso 1 1 calc R U . . .
C6 C 1.0361(3) 0.6318(2) 0.5038(2) 0.0459(6) Uani 1 1 d . . . . .
H6 H 0.955077 0.636381 0.496821 0.055 Uiso 1 1 calc R U . . .
C7 C 1.0339(3) 0.4337(2) 0.7573(2) 0.0499(6) Uani 1 1 d . . . . .
H7 H 1.105247 0.464520 0.708195 0.060 Uiso 1 1 calc R U . . .
C8 C 1.0538(3) 0.3150(2) 0.7905(3) 0.0592(8) Uani 1 1 d . . . . .
H8 H 1.136561 0.267681 0.764856 0.071 Uiso 1 1 calc R U . . .
C9 C 0.9495(3) 0.2678(2) 0.8621(3) 0.0620(8) Uani 1 1 d . . . . .
H9 H 0.959444 0.188013 0.885329 0.074 Uiso 1 1 calc R U . . .
C10 C 0.8303(3) 0.3414(2) 0.8986(2) 0.0536(7) Uani 1 1 d . . . . .
H10 H 0.757752 0.311767 0.946742 0.064 Uiso 1 1 calc R U . . .
C11 C 0.8177(2) 0.4601(2) 0.86361(19) 0.0400(5) Uani 1 1 d . . . . .
C12 C 0.6915(2) 0.5416(2) 0.9083(2) 0.0438(6) Uani 1 1 d . . . . .
H12A H 0.618725 0.503791 0.934230 0.053 Uiso 1 1 calc R U . . .
H12B H 0.696344 0.560896 0.969977 0.053 Uiso 1 1 calc R U . . .
C13 C 0.5751(2) 0.7420(2) 0.8791(2) 0.0422(6) Uani 1 1 d . . . . .
H13A H 0.501787 0.713919 0.937284 0.051 Uiso 1 1 calc R U . . .
H13B H 0.539275 0.805277 0.826591 0.051 Uiso 1 1 calc R U . . .
C14 C 0.6487(2) 0.7841(2) 0.92501(19) 0.0381(5) Uani 1 1 d . . . . .
C15 C 0.5886(3) 0.8462(2) 1.0047(2) 0.0485(6) Uani 1 1 d . . . . .
H15 H 0.497137 0.861525 1.036322 0.058 Uiso 1 1 calc R U . . .
C16 C 0.6656(3) 0.8854(2) 1.0370(2) 0.0560(7) Uani 1 1 d . . . . .
H16 H 0.626777 0.928056 1.090400 0.067 Uiso 1 1 calc R U . . .
C17 C 0.8015(3) 0.8608(2) 0.9894(2) 0.0517(7) Uani 1 1 d . . . . .
H17 H 0.855045 0.887550 1.009675 0.062 Uiso 1 1 calc R U . . .
C18 C 0.8565(2) 0.7965(2) 0.9116(2) 0.0411(5) Uani 1 1 d . . . . .
C19 C 1.0022(3) 0.7596(2) 0.8563(2) 0.0482(6) Uani 1 1 d . . . . .
H19A H 1.048188 0.810221 0.861168 0.058 Uiso 1 1 calc R U . . .
H19B H 1.036366 0.681336 0.892869 0.058 Uiso 1 1 calc R U . . .
C20 C 0.6105(2) 0.6292(2) 0.7519(2) 0.0444(6) Uani 1 1 d . . . . .
H20A H 0.515456 0.638227 0.784218 0.053 Uiso 1 1 calc R U . . .
H20B H 0.649114 0.550865 0.741605 0.053 Uiso 1 1 calc R U . . .
C21 C 0.6396(2) 0.7134(2) 0.6440(2) 0.0448(6) Uani 1 1 d . . . . .
C22 C 0.5619(3) 0.7448(4) 0.5766(3) 0.0808(11) Uani 1 1 d . . . . .
H22 H 0.487502 0.715275 0.598150 0.097 Uiso 1 1 calc R U . . .
C23 C 0.5957(5) 0.8203(4) 0.4773(3) 0.1062(15) Uani 1 1 d . . . . .
H23 H 0.545311 0.841132 0.430188 0.127 Uiso 1 1 calc R U . . .
C24 C 0.7037(4) 0.8646(3) 0.4478(3) 0.0806(11) Uani 1 1 d . . . . .
H24 H 0.727391 0.916622 0.381146 0.097 Uiso 1 1 calc R U . . .
C25 C 0.7756(3) 0.8308(2) 0.5185(2) 0.0552(7) Uani 1 1 d . . . . .
H25 H 0.849027 0.861150 0.498698 0.066 Uiso 1 1 calc R U . . .
C26 C 0.6859(3) 1.0000(3) 0.6924(3) 0.0641(8) Uani 1 1 d . . . . .
H26 H 0.620681 0.976618 0.683501 0.077 Uiso 1 1 calc R U . . .
C27 C 0.6535(3) 1.1043(3) 0.7175(3) 0.0746(10) Uani 1 1 d . . . . .
H27 H 0.568299 1.151008 0.725239 0.089 Uiso 1 1 calc R U . . .
C28 C 0.7488(4) 1.1389(3) 0.7312(3) 0.0797(11) Uani 1 1 d . . . . .
H28 H 0.728566 1.209119 0.749877 0.096 Uiso 1 1 calc R U . . .
C29 C 0.8753(3) 1.0689(2) 0.7170(3) 0.0631(8) Uani 1 1 d . . . . .
H29 H 0.941900 1.091248 0.724944 0.076 Uiso 1 1 calc R U . . .
C30 C 0.9001(3) 0.9651(2) 0.6909(2) 0.0451(6) Uani 1 1 d . . . . .
C31 C 1.0334(2) 0.8831(2) 0.6726(2) 0.0486(6) Uani 1 1 d . . . . .
H31A H 1.070182 0.880767 0.596036 0.058 Uiso 1 1 calc R U . . .
H31B H 1.092171 0.911128 0.690157 0.058 Uiso 1 1 calc R U . . .
B1 B 0.4025(3) 0.4185(3) 0.7814(3) 0.0539(8) Uani 1 1 d . . . . .
B2 B 0.2650(3) 0.9266(3) 0.8308(3) 0.0536(8) Uani 1 1 d . . . . .
F1 F 0.50360(18) 0.37681(18) 0.82804(17) 0.0888(6) Uani 1 1 d . . . . .
F2 F 0.42231(17) 0.51894(15) 0.70381(15) 0.0734(5) Uani 1 1 d . . . . .
F3 F 0.28279(19) 0.4375(2) 0.85821(16) 0.0948(7) Uani 1 1 d . . . . .
F4 F 0.4052(3) 0.3389(2) 0.7317(2) 0.1227(9) Uani 1 1 d . . . . .
F5 F 0.2878(2) 0.8336(2) 0.7906(2) 0.1109(9) Uani 1 1 d . . . . .
F6 F 0.36762(18) 0.98101(17) 0.77558(15) 0.0758(5) Uani 1 1 d . . . . .
F7 F 0.2618(2) 0.88899(17) 0.93907(16) 0.0904(6) Uani 1 1 d . . . . .
F8 F 0.14826(19) 1.00084(19) 0.8209(2) 0.0971(7) 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
Co1 N3 2.1123(19) . ?
Co1 N6 2.1766(19) . ?
Co1 N4 2.2391(19) . ?
Co1 N1 2.2861(19) . ?
Co1 N7 2.2910(19) . ?
Co1 N5 2.3327(19) . ?
Co1 N2 2.550(2) . ?
N1 C31 1.481(3) . ?
N1 C1 1.468(3) . ?
N1 C19 1.483(3) . ?
N2 C30 1.334(3) . ?
N2 C26 1.346(3) . ?
N3 C14 1.342(3) . ?
N3 C18 1.343(3) . ?
N4 C6 1.345(3) . ?
N4 C2 1.350(3) . ?
N5 C11 1.341(3) . ?
N5 C7 1.345(3) . ?
N6 C21 1.333(3) . ?
N6 C25 1.343(3) . ?
N7 C13 1.468(3) . ?
N7 C20 1.468(3) . ?
N7 C12 1.470(3) . ?
C1 C2 1.499(3) . ?
C2 C3 1.381(3) . ?
C3 C4 1.370(4) . ?
C4 C5 1.372(4) . ?
C5 C6 1.368(4) . ?
C7 C8 1.377(4) . ?
C8 C9 1.372(4) . ?
C9 C10 1.369(4) . ?
C10 C11 1.386(3) . ?
C11 C12 1.492(3) . ?
C13 C14 1.496(3) . ?
C14 C15 1.376(3) . ?
C15 C16 1.372(4) . ?
C16 C17 1.383(4) . ?
C17 C18 1.374(4) . ?
C18 C19 1.500(4) . ?
C20 C21 1.493(4) . ?
C21 C22 1.378(4) . ?
C22 C23 1.371(5) . ?
C23 C24 1.365(5) . ?
C24 C25 1.360(4) . ?
C26 C27 1.360(5) . ?
C27 C28 1.368(5) . ?
C28 C29 1.383(5) . ?
C29 C30 1.375(4) . ?
C30 C31 1.495(3) . ?
B1 F4 1.364(4) . ?
B1 F3 1.356(4) . ?
B1 F1 1.379(4) . ?
B1 F2 1.375(4) . ?
B2 F8 1.362(4) . ?
B2 F6 1.371(4) . ?
B2 F5 1.357(4) . ?
B2 F7 1.382(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
N3 Co1 N6 122.82(7) . . ?
N3 Co1 N4 147.97(7) . . ?
N6 Co1 N4 85.08(7) . . ?
N3 Co1 N1 75.63(7) . . ?
N6 Co1 N1 136.50(7) . . ?
N4 Co1 N1 72.86(7) . . ?
N3 Co1 N7 71.93(7) . . ?
N6 Co1 N7 73.34(7) . . ?
N4 Co1 N7 136.84(7) . . ?
N1 Co1 N7 145.53(7) . . ?
N3 Co1 N5 100.43(7) . . ?
N6 Co1 N5 111.18(7) . . ?
N4 Co1 N5 80.76(7) . . ?
N1 Co1 N5 101.85(7) . . ?
N7 Co1 N5 73.33(7) . . ?
N3 Co1 N2 74.02(7) . . ?
N6 Co1 N2 76.49(7) . . ?
N4 Co1 N2 101.04(7) . . ?
N1 Co1 N2 71.81(7) . . ?
N7 Co1 N2 109.25(7) . . ?
N5 Co1 N2 172.30(7) . . ?
C31 N1 C1 108.2(2) . . ?
C31 N1 C19 110.5(2) . . ?
C1 N1 C19 111.27(19) . . ?
C31 N1 Co1 110.80(14) . . ?
C1 N1 Co1 108.34(14) . . ?
C19 N1 Co1 107.67(14) . . ?
C30 N2 C26 117.2(3) . . ?
C30 N2 Co1 109.95(16) . . ?
C26 N2 Co1 125.9(2) . . ?
C14 N3 C18 119.5(2) . . ?
C14 N3 Co1 118.37(16) . . ?
C18 N3 Co1 119.82(16) . . ?
C6 N4 C2 117.1(2) . . ?
C6 N4 Co1 125.73(16) . . ?
C2 N4 Co1 116.20(16) . . ?
C11 N5 C7 116.3(2) . . ?
C11 N5 Co1 114.58(15) . . ?
C7 N5 Co1 128.76(17) . . ?
C21 N6 C25 118.2(2) . . ?
C21 N6 Co1 119.47(16) . . ?
C25 N6 Co1 122.27(17) . . ?
C13 N7 C20 111.09(19) . . ?
C13 N7 C12 110.06(19) . . ?
C20 N7 C12 110.56(19) . . ?
C13 N7 Co1 105.53(14) . . ?
C20 N7 Co1 110.52(14) . . ?
C12 N7 Co1 108.94(14) . . ?
N1 C1 C2 110.60(19) . . ?
N4 C2 C3 121.8(2) . . ?
N4 C2 C1 116.5(2) . . ?
C3 C2 C1 121.5(2) . . ?
C4 C3 C2 119.7(3) . . ?
C3 C4 C5 118.9(3) . . ?
C6 C5 C4 118.8(3) . . ?
N4 C6 C5 123.6(2) . . ?
N5 C7 C8 124.0(3) . . ?
C9 C8 C7 118.8(3) . . ?
C10 C9 C8 118.2(3) . . ?
C9 C10 C11 120.0(3) . . ?
N5 C11 C10 122.5(2) . . ?
N5 C11 C12 116.7(2) . . ?
C10 C11 C12 120.8(2) . . ?
N7 C12 C11 111.82(19) . . ?
N7 C13 C14 109.56(19) . . ?
N3 C14 C15 121.6(2) . . ?
N3 C14 C13 114.3(2) . . ?
C15 C14 C13 124.0(2) . . ?
C16 C15 C14 119.1(2) . . ?
C15 C16 C17 119.4(2) . . ?
C18 C17 C16 119.1(3) . . ?
N3 C18 C17 121.4(2) . . ?
N3 C18 C19 113.7(2) . . ?
C17 C18 C19 124.9(2) . . ?
N1 C19 C18 110.37(19) . . ?
N7 C20 C21 110.37(19) . . ?
N6 C21 C22 121.6(3) . . ?
N6 C21 C20 116.6(2) . . ?
C22 C21 C20 121.8(3) . . ?
C21 C22 C23 119.1(3) . . ?
C24 C23 C22 119.7(3) . . ?
C23 C24 C25 118.3(3) . . ?
N6 C25 C24 123.1(3) . . ?
N2 C26 C27 123.4(3) . . ?
C26 C27 C28 118.6(3) . . ?
C27 C28 C29 119.5(3) . . ?
C30 C29 C28 118.2(3) . . ?
N2 C30 C29 123.0(3) . . ?
N2 C30 C31 114.2(2) . . ?
C29 C30 C31 122.8(2) . . ?
N1 C31 C30 112.2(2) . . ?
F4 B1 F3 108.3(3) . . ?
F4 B1 F1 109.1(3) . . ?
F3 B1 F1 110.9(3) . . ?
F4 B1 F2 108.9(3) . . ?
F3 B1 F2 110.9(3) . . ?
F1 B1 F2 108.7(3) . . ?
F8 B2 F6 110.5(3) . . ?
F8 B2 F5 109.9(3) . . ?
F6 B2 F5 109.6(3) . . ?
F8 B2 F7 110.5(3) . . ?
F6 B2 F7 107.2(2) . . ?
F5 B2 F7 109.1(3) . . ?

_refine_diff_density_max         0.450
_refine_diff_density_min         -0.349
_refine_diff_density_rms         0.051

####################################################################### 
# 
# 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_2-Fe
_database_code_depnum_ccdc_archive 'CCDC 1968363'
loop_
_audit_author_name
_audit_author_address
'Lei Chen'
;Jiangsu University of Science and Technology
China
;
_audit_update_record             
;
2019-11-27 deposited with the CCDC.	2020-01-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C31 H31 Cl2 Fe N7 O8'
_chemical_formula_weight         756.38

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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, -z'

_cell_length_a                   11.5246(8)
_cell_length_b                   12.2303(9)
_cell_length_c                   14.0274(11)
_cell_angle_alpha                111.348(4)
_cell_angle_beta                 97.401(4)
_cell_angle_gamma                111.538(4)
_cell_volume                     1632.4(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    3755
_cell_measurement_theta_min      2.832
_cell_measurement_theta_max      23.621

_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.539
_exptl_crystal_F_000             780
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    0.688
_shelx_estimated_absorpt_T_min   0.886
_shelx_estimated_absorpt_T_max   0.934
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.879
_exptl_absorpt_correction_T_max  0.930
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            12754
_diffrn_reflns_av_unetI/netI     0.0428
_diffrn_reflns_av_R_equivalents  0.0216
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.636
_diffrn_reflns_theta_max         27.511
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.950
_diffrn_measured_fraction_theta_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.950
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.950
_diffrn_reflns_point_group_measured_fraction_full 0.991
_reflns_number_total             7121
_reflns_number_gt                5150
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.1182P)²+0.5617P] 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         7121
_refine_ls_number_parameters     442
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0852
_refine_ls_R_factor_gt           0.0553
_refine_ls_wR_factor_ref         0.1985
_refine_ls_wR_factor_gt          0.1601
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.006
_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 0.79728(5) 0.13639(5) 0.27188(4) 0.03482(17) Uani 1 1 d . . . . .
N1 N 0.8214(3) 0.0387(3) 0.1038(2) 0.0375(6) Uani 1 1 d . . . . .
N2 N 0.7651(3) -0.0643(3) 0.2420(2) 0.0397(6) Uani 1 1 d . . . . .
N3 N 0.5678(3) -0.0175(3) 0.1395(3) 0.0481(8) Uani 1 1 d . . . . .
N4 N 0.8581(3) 0.2899(3) 0.2097(2) 0.0433(7) Uani 1 1 d . . . . .
N5 N 1.0050(3) 0.2518(3) 0.3852(2) 0.0425(7) Uani 1 1 d . . . . .
N6 N 0.7914(3) 0.1094(3) 0.4297(2) 0.0409(7) Uani 1 1 d . . . . .
N7 N 0.6737(3) 0.2267(3) 0.3482(2) 0.0423(7) Uani 1 1 d . . . . .
C1 C 0.6973(4) -0.0173(4) 0.0191(3) 0.0464(9) Uani 1 1 d . . . . .
H1A H 0.700356 -0.077020 -0.047663 0.056 Uiso 1 1 calc R U . . .
H1B H 0.687185 0.052883 0.007969 0.056 Uiso 1 1 calc R U . . .
C2 C 0.5814(3) -0.0898(4) 0.0478(3) 0.0430(8) Uani 1 1 d . . . . .
C3 C 0.4967(4) -0.2208(4) -0.0145(3) 0.0576(11) Uani 1 1 d . . . . .
H3 H 0.508902 -0.269358 -0.077531 0.069 Uiso 1 1 calc R U . . .
C4 C 0.3929(4) -0.2787(5) 0.0193(4) 0.0672(13) Uani 1 1 d . . . . .
H4 H 0.335440 -0.367505 -0.020057 0.081 Uiso 1 1 calc R U . . .
C5 C 0.3760(4) -0.2045(5) 0.1102(4) 0.0632(12) Uani 1 1 d . . . . .
H5 H 0.305490 -0.241121 0.132808 0.076 Uiso 1 1 calc R U . . .
C6 C 0.4645(4) -0.0745(4) 0.1683(4) 0.0532(10) Uani 1 1 d . . . . .
H6 H 0.451964 -0.024008 0.230287 0.064 Uiso 1 1 calc R U . . .
C7 C 0.9231(4) 0.1400(4) 0.0876(3) 0.0454(9) Uani 1 1 d . . . . .
H7A H 1.008785 0.155761 0.125017 0.054 Uiso 1 1 calc R U . . .
H7B H 0.914929 0.109031 0.011726 0.054 Uiso 1 1 calc R U . . .
C8 C 0.9112(3) 0.2660(4) 0.1286(3) 0.0417(8) Uani 1 1 d . . . . .
C9 C 0.9638(4) 0.3567(4) 0.0908(4) 0.0588(11) Uani 1 1 d . . . . .
H9 H 0.996395 0.335664 0.032926 0.071 Uiso 1 1 calc R U . . .
C10 C 0.9678(5) 0.4793(5) 0.1396(4) 0.0694(13) Uani 1 1 d . . . . .
H10 H 1.005053 0.542651 0.116389 0.083 Uiso 1 1 calc R U . . .
C11 C 0.9155(5) 0.5053(4) 0.2230(4) 0.0623(11) Uani 1 1 d . . . . .
H11 H 0.915811 0.586520 0.256935 0.075 Uiso 1 1 calc R U . . .
C12 C 0.8625(4) 0.4095(4) 0.2555(3) 0.0537(10) Uani 1 1 d . . . . .
H12 H 0.827832 0.428417 0.312396 0.064 Uiso 1 1 calc R U . . .
C13 C 0.8596(4) -0.0659(4) 0.0999(3) 0.0477(9) Uani 1 1 d . . . . .
H13A H 0.952928 -0.027120 0.134394 0.057 Uiso 1 1 calc R U . . .
H13B H 0.840406 -0.126606 0.025677 0.057 Uiso 1 1 calc R U . . .
C14 C 0.7860(4) -0.1382(4) 0.1558(3) 0.0449(8) Uani 1 1 d . . . . .
C15 C 0.7416(4) -0.2715(4) 0.1227(4) 0.0572(11) Uani 1 1 d . . . . .
H15 H 0.758325 -0.322360 0.063567 0.069 Uiso 1 1 calc R U . . .
C16 C 0.6715(4) -0.3277(4) 0.1798(4) 0.0620(12) Uani 1 1 d . . . . .
H16 H 0.637040 -0.417793 0.157132 0.074 Uiso 1 1 calc R U . . .
C17 C 0.6533(4) -0.2500(4) 0.2696(4) 0.0549(10) Uani 1 1 d . . . . .
H17 H 0.608350 -0.286202 0.309550 0.066 Uiso 1 1 calc R U . . .
C18 C 0.7022(3) -0.1184(4) 0.2994(3) 0.0425(8) Uani 1 1 d . . . . .
C19 C 0.6883(4) -0.0241(4) 0.3963(3) 0.0487(9) Uani 1 1 d . . . . .
H19A H 0.602761 -0.026633 0.379255 0.058 Uiso 1 1 calc R U . . .
H19B H 0.696364 -0.048618 0.454381 0.058 Uiso 1 1 calc R U . . .
C20 C 0.7649(4) 0.2114(4) 0.5037(3) 0.0486(9) Uani 1 1 d . . . . .
H20A H 0.844242 0.293839 0.539383 0.058 Uiso 1 1 calc R U . . .
H20B H 0.736009 0.186918 0.558086 0.058 Uiso 1 1 calc R U . . .
C21 C 0.6616(4) 0.2272(4) 0.4426(3) 0.0439(8) Uani 1 1 d . . . . .
C22 C 0.5591(4) 0.2402(4) 0.4779(4) 0.0605(11) Uani 1 1 d . . . . .
H22 H 0.552296 0.240060 0.543264 0.073 Uiso 1 1 calc R U . . .
C23 C 0.4676(5) 0.2531(5) 0.4170(5) 0.0732(14) Uani 1 1 d . . . . .
H23 H 0.396617 0.259162 0.439212 0.088 Uiso 1 1 calc R U . . .
C24 C 0.4814(4) 0.2572(4) 0.3227(5) 0.0688(13) Uani 1 1 d . . . . .
H24 H 0.421882 0.269062 0.281043 0.083 Uiso 1 1 calc R U . . .
C25 C 0.5851(4) 0.2435(4) 0.2910(3) 0.0528(10) Uani 1 1 d . . . . .
H25 H 0.594183 0.245990 0.226809 0.063 Uiso 1 1 calc R U . . .
C26 C 0.9198(4) 0.1201(4) 0.4758(3) 0.0488(9) Uani 1 1 d . . . . .
H26A H 0.922148 0.037444 0.437210 0.059 Uiso 1 1 calc R U . . .
H26B H 0.930999 0.136511 0.550213 0.059 Uiso 1 1 calc R U . . .
C27 C 1.0295(3) 0.2273(4) 0.4700(3) 0.0411(8) Uani 1 1 d . . . . .
C28 C 1.1507(4) 0.2935(4) 0.5456(3) 0.0506(9) Uani 1 1 d . . . . .
H28 H 1.163462 0.274918 0.603642 0.061 Uiso 1 1 calc R U . . .
C29 C 1.2524(4) 0.3864(4) 0.5355(3) 0.0592(11) Uani 1 1 d . . . . .
H29 H 1.334659 0.431691 0.586208 0.071 Uiso 1 1 calc R U . . .
C30 C 1.2304(4) 0.4114(4) 0.4487(4) 0.0579(11) Uani 1 1 d . . . . .
H30 H 1.297809 0.473292 0.438981 0.070 Uiso 1 1 calc R U . . .
C31 C 1.1067(4) 0.3429(4) 0.3762(3) 0.0514(9) Uani 1 1 d . . . . .
H31 H 1.092553 0.360696 0.317882 0.062 Uiso 1 1 calc R U . . .
Cl1 Cl 0.33294(12) 0.45685(11) 0.20340(9) 0.0683(3) Uani 1 1 d . . . . .
Cl2 Cl 0.14899(10) 0.92543(11) 0.26508(8) 0.0552(3) Uani 1 1 d . . . . .
O1 O 0.3384(6) 0.4979(5) 0.1239(4) 0.143(2) Uani 1 1 d . . . . .
O2 O 0.4507(5) 0.4849(7) 0.2627(8) 0.237(5) Uani 1 1 d . . . . .
O3 O 0.2431(4) 0.3245(4) 0.1668(4) 0.0994(13) Uani 1 1 d . . . . .
O4 O 0.2894(9) 0.5347(6) 0.2746(5) 0.195(4) Uani 1 1 d . . . . .
O5 O 0.2630(4) 0.9353(4) 0.3252(3) 0.0902(12) Uani 1 1 d . . . . .
O6 O 0.1765(5) 0.9684(7) 0.1884(4) 0.142(2) Uani 1 1 d . . . . .
O7 O 0.0555(6) 0.8000(6) 0.2143(8) 0.217(4) Uani 1 1 d . . . . .
O8 O 0.1012(7) 0.9995(7) 0.3313(4) 0.168(3) 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 N2 2.209(3) . ?
Fe1 N7 2.255(3) . ?
Fe1 N4 2.272(3) . ?
Fe1 N5 2.271(3) . ?
Fe1 N1 2.329(3) . ?
Fe1 N6 2.359(3) . ?
N1 C1 1.475(4) . ?
N1 C13 1.483(5) . ?
N1 C7 1.472(5) . ?
N2 C14 1.333(5) . ?
N2 C18 1.341(5) . ?
N3 C6 1.337(5) . ?
N3 C2 1.337(5) . ?
N4 C12 1.344(5) . ?
N4 C8 1.349(4) . ?
N5 C31 1.346(5) . ?
N5 C27 1.348(4) . ?
N6 C20 1.465(5) . ?
N6 C26 1.474(5) . ?
N6 C19 1.474(5) . ?
N7 C25 1.338(5) . ?
N7 C21 1.347(5) . ?
C1 C2 1.504(5) . ?
C2 C3 1.378(6) . ?
C3 C4 1.387(6) . ?
C4 C5 1.356(7) . ?
C5 C6 1.372(6) . ?
C7 C8 1.502(5) . ?
C8 C9 1.377(5) . ?
C9 C10 1.383(7) . ?
C10 C11 1.373(7) . ?
C11 C12 1.375(6) . ?
C13 C14 1.498(6) . ?
C14 C15 1.382(6) . ?
C15 C16 1.387(6) . ?
C16 C17 1.371(7) . ?
C17 C18 1.366(6) . ?
C18 C19 1.502(5) . ?
C20 C21 1.489(5) . ?
C21 C22 1.378(5) . ?
C22 C23 1.362(7) . ?
C23 C24 1.369(8) . ?
C24 C25 1.372(6) . ?
C26 C27 1.487(5) . ?
C27 C28 1.376(5) . ?
C28 C29 1.366(6) . ?
C29 C30 1.375(6) . ?
C30 C31 1.378(6) . ?
Cl1 O1 1.379(5) . ?
Cl1 O3 1.408(4) . ?
Cl1 O2 1.346(5) . ?
Cl1 O4 1.394(6) . ?
Cl2 O8 1.368(4) . ?
Cl2 O7 1.347(5) . ?
Cl2 O5 1.406(3) . ?
Cl2 O6 1.382(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
N2 Fe1 N7 122.38(11) . . ?
N2 Fe1 N4 145.00(11) . . ?
N7 Fe1 N4 87.74(11) . . ?
N2 Fe1 N5 99.50(11) . . ?
N7 Fe1 N5 108.33(11) . . ?
N4 Fe1 N5 85.39(11) . . ?
N2 Fe1 N1 72.82(11) . . ?
N7 Fe1 N1 140.19(10) . . ?
N4 Fe1 N1 72.39(10) . . ?
N5 Fe1 N1 104.12(10) . . ?
N2 Fe1 N6 69.46(11) . . ?
N7 Fe1 N6 72.39(11) . . ?
N4 Fe1 N6 143.18(11) . . ?
N5 Fe1 N6 72.60(10) . . ?
N1 Fe1 N6 140.82(11) . . ?
C1 N1 C13 110.3(3) . . ?
C1 N1 C7 108.6(3) . . ?
C13 N1 C7 110.5(3) . . ?
C1 N1 Fe1 109.9(2) . . ?
C13 N1 Fe1 108.9(2) . . ?
C7 N1 Fe1 108.6(2) . . ?
C14 N2 C18 120.1(3) . . ?
C14 N2 Fe1 120.0(2) . . ?
C18 N2 Fe1 118.9(2) . . ?
C6 N3 C2 117.9(4) . . ?
C12 N4 C8 116.9(3) . . ?
C12 N4 Fe1 125.7(3) . . ?
C8 N4 Fe1 116.8(2) . . ?
C31 N5 C27 116.5(3) . . ?
C31 N5 Fe1 126.3(2) . . ?
C27 N5 Fe1 117.2(2) . . ?
C20 N6 C26 111.6(3) . . ?
C20 N6 C19 112.5(3) . . ?
C26 N6 C19 109.8(3) . . ?
C20 N6 Fe1 108.9(2) . . ?
C26 N6 Fe1 107.2(2) . . ?
C19 N6 Fe1 106.6(2) . . ?
C25 N7 C21 117.9(3) . . ?
C25 N7 Fe1 121.6(3) . . ?
C21 N7 Fe1 117.6(2) . . ?
N1 C1 C2 111.8(3) . . ?
N3 C2 C3 122.5(4) . . ?
N3 C2 C1 114.7(3) . . ?
C3 C2 C1 122.8(4) . . ?
C4 C3 C2 118.3(4) . . ?
C5 C4 C3 119.4(4) . . ?
C4 C5 C6 119.0(4) . . ?
N3 C6 C5 122.7(4) . . ?
C8 C7 N1 111.1(3) . . ?
N4 C8 C9 122.5(4) . . ?
N4 C8 C7 116.9(3) . . ?
C9 C8 C7 120.4(3) . . ?
C8 C9 C10 119.6(4) . . ?
C11 C10 C9 118.4(4) . . ?
C10 C11 C12 119.0(4) . . ?
N4 C12 C11 123.6(4) . . ?
N1 C13 C14 109.9(3) . . ?
N2 C14 C15 121.1(4) . . ?
N2 C14 C13 115.0(3) . . ?
C15 C14 C13 123.9(4) . . ?
C14 C15 C16 118.4(4) . . ?
C17 C16 C15 119.9(4) . . ?
C16 C17 C18 118.8(4) . . ?
N2 C18 C17 121.7(4) . . ?
N2 C18 C19 114.9(3) . . ?
C17 C18 C19 123.3(4) . . ?
N6 C19 C18 108.9(3) . . ?
N6 C20 C21 109.4(3) . . ?
N7 C21 C22 121.3(4) . . ?
N7 C21 C20 115.4(3) . . ?
C22 C21 C20 123.3(4) . . ?
C23 C22 C21 119.9(4) . . ?
C22 C23 C24 119.2(4) . . ?
C25 C24 C23 118.6(4) . . ?
N7 C25 C24 123.0(4) . . ?
N6 C26 C27 112.0(3) . . ?
N5 C27 C28 122.4(4) . . ?
N5 C27 C26 116.5(3) . . ?
C28 C27 C26 121.0(3) . . ?
C29 C28 C27 120.1(4) . . ?
C28 C29 C30 118.5(4) . . ?
C29 C30 C31 118.7(4) . . ?
N5 C31 C30 123.7(4) . . ?
O1 Cl1 O3 113.8(3) . . ?
O1 Cl1 O2 113.9(4) . . ?
O3 Cl1 O2 111.5(3) . . ?
O1 Cl1 O4 104.3(4) . . ?
O3 Cl1 O4 107.9(4) . . ?
O2 Cl1 O4 104.5(6) . . ?
O8 Cl2 O7 108.3(5) . . ?
O8 Cl2 O5 110.1(3) . . ?
O7 Cl2 O5 110.9(4) . . ?
O8 Cl2 O6 109.6(4) . . ?
O7 Cl2 O6 108.2(5) . . ?
O5 Cl2 O6 109.9(3) . . ?

_refine_diff_density_max         0.785
_refine_diff_density_min         -0.526
_refine_diff_density_rms         0.161

