##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in          #
# Acta Crystallographica Section E. It conforms to the requirements of       #
# Notes for Authors for Acta Crystallographica Section E, and has been       #
# peer reviewed under the auspices of the IUCr Commission on Journals.       #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic.                                       #
#                                                                            #
# Software is freely available for graphical display of the structure(s)     #
# in this CIF. For information consult the CIF software page                 #
# http://www.iucr.org/resources/cif/software.                                #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
data_I
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_chemical_name_systematic
;\
Di-μ-chlorido-bis({2-[(η-2,3)-(prop-2-en-1-yl)sulfanyl]pyridine-κN}\
copper(I))
;
_chemical_name_common     ?
_chemical_formula_moiety     'C16 H18 Cl2 Cu2 N2 S2'
_chemical_formula_sum     'C16 H18 Cl2 Cu2 N2 S2'
_chemical_formula_iupac     '[Cu2 Cl2 (C8 H9 N S)2]'
_chemical_formula_weight     500.42
_chemical_melting_point     ?
_space_group_crystal_system     monoclinic
_space_group_name_H-M_alt     'P 1 21/c 1'
_space_group_name_Hall     '-P 2ybc'
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     9.2729(16)
_cell_length_b     9.5740(13)
_cell_length_c     11.037(2)
_cell_angle_alpha     90
_cell_angle_beta     108.52(2)
_cell_angle_gamma     90
_cell_volume     929.1(3)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     3255
_cell_measurement_theta_min     3.8210
_cell_measurement_theta_max     28.9230
_cell_measurement_temperature     150.00(10)
_exptl_crystal_description     irregular
_exptl_crystal_colour     yellowish
_exptl_crystal_size_max     0.33
_exptl_crystal_size_mid     0.28
_exptl_crystal_size_min     0.19
_exptl_crystal_density_diffrn     1.789
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     504
loop_
    _exptl_crystal_face_index_h
    _exptl_crystal_face_index_k
    _exptl_crystal_face_index_l
    _exptl_crystal_face_perp_dist
    0 4 -14 0.0777
    -2 5 -13 0.0846
    -9 -1 14 0.1078
    13 -3 -7 0.1804
    11 3 2 0.1373
    5 10 7 0.1306
    -1 2 15 0.1440
    -1 -12 7 0.0961
    -7 10 -2 0.1105
    0 12 -6 0.0826
    7 10 -8 0.1066
    13 -1 -4 0.1568
    -8 -10 -1 0.1465
    9 9 0 0.1069
    0 13 2 0.1022
    -7 7 13 0.0934
    -3 -3 -13 0.1276
    7 -6 -13 0.1753
    -3 8 -10 0.0572
_exptl_absorpt_coefficient_mu     2.801
_exptl_absorpt_correction_type     analytical
_exptl_absorpt_process_details
;
(CrysalisPro; Rigaku OD, 2021)
;
_exptl_absorpt_correction_T_min     0.546
_exptl_absorpt_correction_T_max     0.693
_diffrn_ambient_temperature     150.15
_diffrn_source     ?
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_measurement_device_type     'New Gemini, Dual, Cu at home/near, Atlas'
_diffrn_measurement_device     'four-circle diffractometer'
_diffrn_measurement_method     'ω scans'
_diffrn_detector_area_resol_mean     10.6426
_diffrn_reflns_number     8088
_diffrn_reflns_av_R_equivalents     0.0576
_diffrn_reflns_av_unetI/netI     0.0580
_diffrn_reflns_theta_min     2.884
_diffrn_reflns_theta_max     29.181
_diffrn_reflns_theta_full     26.000
_diffrn_measured_fraction_theta_max     0.860
_diffrn_measured_fraction_theta_full     0.998
_diffrn_reflns_limit_h_min     -12
_diffrn_reflns_limit_h_max     12
_diffrn_reflns_limit_k_min     -12
_diffrn_reflns_limit_k_max     11
_diffrn_reflns_limit_l_min     -15
_diffrn_reflns_limit_l_max     15
_refine_special_details     ?
_reflns_number_total     2161
_reflns_number_gt     1730
_reflns_threshold_expression     'I > 2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0553
_refine_ls_R_factor_gt     0.0361
_refine_ls_wR_factor_gt     0.0664
_refine_ls_wR_factor_ref     0.0768
_refine_ls_goodness_of_fit_ref     1.078
_refine_ls_restrained_S_all     1.078
_refine_ls_number_reflns     2161
_refine_ls_number_parameters     109
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
              'w=1/[σ²(Fo²)+(0.0228P)²+0.6316P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary     ?
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.508
_refine_diff_density_min     -0.640
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     .
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'
    'Cl' 'Cl' 0.1484 0.1585
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Cu' 'Cu' 0.3201 1.2651
                         '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'
    'S' 'S' 0.1246 0.1234
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection
;
CrysAlisPro (Rigaku OD, 2021)
;
_computing_cell_refinement
;
CrysAlisPro (Rigaku OD, 2021)
;
_computing_data_reduction
;
CrysAlisPro (Rigaku OD, 2021)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_computing_structure_refinement
;
SHELXL (Sheldrick, 2015b)
;
_computing_molecular_graphics
;
OLEX2 (Dolomanov et al.,  2009)
;
_computing_publication_material
;
OLEX2 (Dolomanov et al.,  2009)
;
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Cu Cu1 0.57740(4) 0.64590(4) 0.46958(4) 0.01225(12) Uani d 1 . .
    Cl Cl1 0.36070(8) 0.54060(8) 0.34752(7) 0.01340(18) Uani d 1 . .
    S S1 0.91865(9) 0.82046(8) 0.47781(8) 0.01693(19) Uani d 1 . .
    N N1 0.7401(3) 0.5908(2) 0.3922(2) 0.0098(5) Uani d 1 . .
    C C2 0.8718(3) 0.6558(3) 0.4035(3) 0.0113(6) Uani d 1 . .
    C C3 0.9837(3) 0.5968(3) 0.3594(3) 0.0142(7) Uani d 1 . .
    H H3 1.075431 0.645998 0.368256 0.017 Uiso calc 1 . .
    C C4 0.9603(4) 0.4679(3) 0.3036(3) 0.0175(7) Uani d 1 . .
    H H4 1.036450 0.425281 0.275400 0.021 Uiso calc 1 . .
    C C5 0.8239(4) 0.4003(3) 0.2888(3) 0.0158(7) Uani d 1 . .
    H H5 0.803694 0.311139 0.249195 0.019 Uiso calc 1 . .
    C C6 0.7184(3) 0.4656(3) 0.3331(3) 0.0145(7) Uani d 1 . .
    H H6 0.624182 0.419633 0.321361 0.017 Uiso calc 1 . .
    C C7 0.7410(4) 0.8972(3) 0.4778(3) 0.0145(7) Uani d 1 . .
    H H7A 0.759319 0.996020 0.504812 0.017 Uiso calc 1 . .
    H H7B 0.669754 0.896375 0.389294 0.017 Uiso calc 1 . .
    C C8 0.6665(4) 0.8249(3) 0.5633(3) 0.0137(7) Uani d 1 . .
    H H8 0.729407 0.776905 0.636305 0.016 Uiso calc 1 . .
    C C9 0.5133(4) 0.8248(3) 0.5412(3) 0.0198(8) Uani d 1 . .
    H H9A 0.447951 0.872113 0.468765 0.024 Uiso calc 1 . .
    H H9B 0.471792 0.777530 0.598143 0.024 Uiso calc 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Cu1 Cl1 . 2.2691(9) y
    Cu1 Cl1 3_666 2.6186(9) y
    Cu1 N1 . 2.026(2) y
    Cu1 C8 . 2.037(3) y
    Cu1 C9 . 2.052(3) y
    S1 C2 . 1.766(3) ?
    S1 C7 . 1.804(3) ?
    N1 C2 . 1.340(4) ?
    N1 C6 . 1.349(4) ?
    C2 C3 . 1.397(4) ?
    C3 H3 . 0.9500 ?
    C3 C4 . 1.366(4) ?
    C4 H4 . 0.9500 ?
    C4 C5 . 1.383(4) ?
    C5 H5 . 0.9500 ?
    C5 C6 . 1.375(4) ?
    C6 H6 . 0.9500 ?
    C7 H7A . 0.9900 ?
    C7 H7B . 0.9900 ?
    C7 C8 . 1.503(4) ?
    C8 H8 . 0.9500 ?
    C8 C9 . 1.364(4) ?
    C9 H9A . 0.9500 ?
    C9 H9B . 0.9500 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    Cl1 Cu1 Cl1 . 3_666 95.20(3) ?
    N1 Cu1 Cl1 . 3_666 97.91(7) ?
    N1 Cu1 Cl1 . . 105.77(7) ?
    N1 Cu1 C8 . . 101.34(11) ?
    N1 Cu1 C9 . . 136.50(12) ?
    C8 Cu1 Cl1 . 3_666 103.19(9) ?
    C8 Cu1 Cl1 . . 144.63(9) ?
    C8 Cu1 C9 . . 38.96(12) ?
    C9 Cu1 Cl1 . 3_666 106.96(10) ?
    C9 Cu1 Cl1 . . 106.81(10) ?
    Cu1 Cl1 Cu1 . 3_666 84.80(3) ?
    C2 S1 C7 . . 105.89(15) ?
    C2 N1 Cu1 . . 128.2(2) ?
    C2 N1 C6 . . 116.7(3) ?
    C6 N1 Cu1 . . 114.72(19) ?
    N1 C2 S1 . . 122.7(2) ?
    N1 C2 C3 . . 122.3(3) ?
    C3 C2 S1 . . 115.0(2) ?
    C2 C3 H3 . . 120.2 ?
    C4 C3 C2 . . 119.5(3) ?
    C4 C3 H3 . . 120.2 ?
    C3 C4 H4 . . 120.5 ?
    C3 C4 C5 . . 119.0(3) ?
    C5 C4 H4 . . 120.5 ?
    C4 C5 H5 . . 120.9 ?
    C6 C5 C4 . . 118.1(3) ?
    C6 C5 H5 . . 120.9 ?
    N1 C6 C5 . . 124.2(3) ?
    N1 C6 H6 . . 117.9 ?
    C5 C6 H6 . . 117.9 ?
    S1 C7 H7A . . 108.7 ?
    S1 C7 H7B . . 108.7 ?
    H7A C7 H7B . . 107.6 ?
    C8 C7 S1 . . 114.4(2) ?
    C8 C7 H7A . . 108.7 ?
    C8 C7 H7B . . 108.7 ?
    Cu1 C8 H8 . . 93.7 ?
    C7 C8 Cu1 . . 105.2(2) ?
    C7 C8 H8 . . 118.4 ?
    C9 C8 Cu1 . . 71.15(18) ?
    C9 C8 C7 . . 123.2(3) ?
    C9 C8 H8 . . 118.4 ?
    Cu1 C9 H9A . . 105.0 ?
    Cu1 C9 H9B . . 94.9 ?
    C8 C9 Cu1 . . 69.90(18) ?
    C8 C9 H9A . . 120.0 ?
    C8 C9 H9B . . 120.0 ?
    H9A C9 H9B . . 120.0 ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    Cu1 N1 C2 S1 . . . . -7.6(4) ?
    Cu1 N1 C2 C3 . . . . 171.1(2) ?
    Cu1 N1 C6 C5 . . . . -171.2(2) ?
    S1 C2 C3 C4 . . . . 178.2(2) ?
    S1 C7 C8 Cu1 . . . . -75.0(2) ?
    S1 C7 C8 C9 . . . . -152.1(3) ?
    N1 C2 C3 C4 . . . . -0.6(5) ?
    C2 S1 C7 C8 . . . . 68.1(3) ?
    C2 N1 C6 C5 . . . . 2.3(4) ?
    C2 C3 C4 C5 . . . . 1.8(5) ?
    C3 C4 C5 C6 . . . . -1.0(5) ?
    C4 C5 C6 N1 . . . . -1.1(5) ?
    C6 N1 C2 S1 . . . . 179.9(2) ?
    C6 N1 C2 C3 . . . . -1.4(4) ?
    C7 S1 C2 N1 . . . . -19.4(3) ?
    C7 S1 C2 C3 . . . . 161.8(2) ?
    C7 C8 C9 Cu1 . . . . 96.2(3) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    _geom_hbond_publ_flag
    C3 H3 Cl1 1_655 0.95 2.91 3.581(3) 129 yes
    C6 H6 Cl1 . 0.95 2.80 3.447(3) 126 yes
    C7 H7B Cl1 2_655 0.99 2.89 3.676(3) 137 yes
_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.
;
_shelx_estimated_absorpt_T_min     0.458
_shelx_estimated_absorpt_T_max     0.618
data_II
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_chemical_name_systematic
;\
Di-μ-bromido-bis({2-[(η-2,3)-(prop-2-en-1-yl)sulfanyl]pyridine-κN}\
copper(I))
;
_chemical_name_common     ?
_chemical_formula_moiety     'C16 H18 Br2 Cu2 N2 S2'
_chemical_formula_sum     'C16 H18 Br2 Cu2 N2 S2'
_chemical_formula_iupac     '[Cu2 Br2 (C8 H9 N S)2]'
_chemical_formula_weight     589.34
_chemical_melting_point     ?
_space_group_crystal_system     monoclinic
_space_group_name_H-M_alt     'P 1 21/c 1'
_space_group_name_Hall     '-P 2ybc'
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     9.5009(6)
_cell_length_b     9.6022(5)
_cell_length_c     11.0936(8)
_cell_angle_alpha     90
_cell_angle_beta     107.257(7)
_cell_angle_gamma     90
_cell_volume     966.50(11)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     3535
_cell_measurement_theta_min     3.0730
_cell_measurement_theta_max     28.9820
_cell_measurement_temperature     150.00(10)
_exptl_crystal_description     irregular
_exptl_crystal_colour     yellowish
_exptl_crystal_size_max     0.436
_exptl_crystal_size_mid     0.35
_exptl_crystal_size_min     0.215
_exptl_crystal_density_diffrn     2.025
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     576
loop_
    _exptl_crystal_face_index_h
    _exptl_crystal_face_index_k
    _exptl_crystal_face_index_l
    _exptl_crystal_face_perp_dist
    -5 6 -11 0.1304
    4 11 6 0.1610
    6 5 10 0.1978
    4 -7 10 0.1940
    1 -13 5 0.1696
    -4 -11 -5 0.2415
    -6 -5 -10 0.2197
    -13 0 8 0.1008
    13 1 -9 0.1011
    9 0 -14 0.1328
    10 -7 -10 0.1583
    -10 5 12 0.1248
    -13 1 4 0.0982
    -13 -2 6 0.1045
    9 -9 3 0.1702
    8 9 -9 0.1298
    13 0 -1 0.1297
_exptl_absorpt_coefficient_mu     6.551
_exptl_absorpt_correction_type     analytical
_exptl_absorpt_process_details
;
(CrysalisPro; Rigaku OD, 2021)
;
_exptl_absorpt_correction_T_min     0.191
_exptl_absorpt_correction_T_max     0.368
_diffrn_ambient_temperature     150.15
_diffrn_source     ?
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_measurement_device_type     'New Gemini, Dual, Cu at home/near, Atlas'
_diffrn_measurement_device     'four-circle diffractometer'
_diffrn_measurement_method     'ω scans'
_diffrn_detector_area_resol_mean     10.6426
_diffrn_reflns_number     6837
_diffrn_reflns_av_R_equivalents     0.0435
_diffrn_reflns_av_unetI/netI     0.0410
_diffrn_reflns_theta_min     2.863
_diffrn_reflns_theta_max     28.992
_diffrn_reflns_theta_full     26.000
_diffrn_measured_fraction_theta_max     0.845
_diffrn_measured_fraction_theta_full     0.990
_diffrn_reflns_limit_h_min     -12
_diffrn_reflns_limit_h_max     12
_diffrn_reflns_limit_k_min     -10
_diffrn_reflns_limit_k_max     12
_diffrn_reflns_limit_l_min     -12
_diffrn_reflns_limit_l_max     13
_refine_special_details     ?
_reflns_number_total     2162
_reflns_number_gt     1854
_reflns_threshold_expression     'I > 2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0446
_refine_ls_R_factor_gt     0.0339
_refine_ls_wR_factor_gt     0.0726
_refine_ls_wR_factor_ref     0.0785
_refine_ls_goodness_of_fit_ref     1.080
_refine_ls_restrained_S_all     1.080
_refine_ls_number_reflns     2162
_refine_ls_number_parameters     109
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
              'w=1/[σ²(Fo²)+(0.0328P)²+1.3651P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary     ?
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.816
_refine_diff_density_min     -0.745
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     .
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'
    'Br' 'Br' -0.2901 2.4595
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Cu' 'Cu' 0.3201 1.2651
                         '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'
    'S' 'S' 0.1246 0.1234
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection
;
CrysAlisPro (Rigaku OD, 2021)
;
_computing_cell_refinement
;
CrysAlisPro (Rigaku OD, 2021)
;
_computing_data_reduction
;
CrysAlisPro (Rigaku OD, 2021)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_computing_structure_refinement
;
SHELXL (Sheldrick, 2015b)
;
_computing_molecular_graphics
;
OLEX2 (Dolomanov et al.,  2009)
;
_computing_publication_material
;
OLEX2 (Dolomanov et al.,  2009)
;
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Br Br1 0.36045(4) 0.54960(3) 0.34080(3) 0.01538(12) Uani d 1 . .
    Cu Cu1 0.58645(5) 0.64663(4) 0.47542(4) 0.01478(13) Uani d 1 . .
    S S1 0.91726(10) 0.82315(9) 0.48313(10) 0.0201(2) Uani d 1 . .
    N N1 0.7467(3) 0.5936(3) 0.3976(3) 0.0135(6) Uani d 1 . .
    C C2 0.8735(4) 0.6601(3) 0.4079(3) 0.0127(7) Uani d 1 . .
    C C3 0.9838(4) 0.6033(4) 0.3631(3) 0.0176(8) Uani d 1 . .
    H H3 1.072777 0.652922 0.372109 0.021 Uiso calc 1 . .
    C C4 0.9622(4) 0.4747(4) 0.3060(4) 0.0191(8) Uani d 1 . .
    H H4 1.036808 0.433779 0.276414 0.023 Uiso calc 1 . .
    C C5 0.8301(4) 0.4056(4) 0.2920(3) 0.0186(8) Uani d 1 . .
    H H5 0.811443 0.317584 0.251361 0.022 Uiso calc 1 . .
    C C6 0.7270(4) 0.4681(4) 0.3387(4) 0.0168(8) Uani d 1 . .
    H H6 0.636629 0.420650 0.329185 0.020 Uiso calc 1 . .
    C C7 0.7453(4) 0.8986(4) 0.4850(4) 0.0171(8) Uani d 1 . .
    H H7A 0.762903 0.996856 0.512413 0.021 Uiso calc 1 . .
    H H7B 0.677805 0.898701 0.397736 0.021 Uiso calc 1 . .
    C C8 0.6700(4) 0.8262(4) 0.5692(4) 0.0192(8) Uani d 1 . .
    H H8 0.729668 0.778274 0.641149 0.023 Uiso calc 1 . .
    C C9 0.5222(5) 0.8253(4) 0.5484(4) 0.0247(9) Uani d 1 . .
    H H9A 0.459626 0.872317 0.477213 0.030 Uiso calc 1 . .
    H H9B 0.481069 0.777660 0.605052 0.030 Uiso calc 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Cu1 Br1 . 2.4097(6) y
    Cu1 Br1 3_666 2.7113(6) y
    Cu1 N1 . 2.025(3) y
    Cu1 C8 . 2.048(4) y
    Cu1 C9 . 2.065(4) y
    S1 C2 . 1.765(4) ?
    S1 C7 . 1.793(4) ?
    N1 C2 . 1.338(5) ?
    N1 C6 . 1.357(5) ?
    C2 C3 . 1.397(5) ?
    C3 H3 . 0.9500 ?
    C3 C4 . 1.375(5) ?
    C4 H4 . 0.9500 ?
    C4 C5 . 1.387(5) ?
    C5 H5 . 0.9500 ?
    C5 C6 . 1.374(5) ?
    C6 H6 . 0.9500 ?
    C7 H7A . 0.9900 ?
    C7 H7B . 0.9900 ?
    C7 C8 . 1.505(5) ?
    C8 H8 . 0.9500 ?
    C8 C9 . 1.354(6) ?
    C9 H9A . 0.9500 ?
    C9 H9B . 0.9500 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    Cu1 Br1 Cu1 . 3_666 82.521(18) ?
    Br1 Cu1 Br1 . 3_666 97.479(19) ?
    N1 Cu1 Br1 . 3_666 98.64(8) ?
    N1 Cu1 Br1 . . 106.43(9) ?
    N1 Cu1 C8 . . 101.60(14) ?
    N1 Cu1 C9 . . 136.30(14) ?
    C8 Cu1 Br1 . 3_666 104.22(11) ?
    C8 Cu1 Br1 . . 141.26(11) ?
    C8 Cu1 C9 . . 38.43(15) ?
    C9 Cu1 Br1 . . 104.57(12) ?
    C9 Cu1 Br1 . 3_666 107.05(12) ?
    C2 S1 C7 . . 106.04(17) ?
    C2 N1 Cu1 . . 128.0(2) ?
    C2 N1 C6 . . 117.2(3) ?
    C6 N1 Cu1 . . 114.5(2) ?
    N1 C2 S1 . . 122.9(3) ?
    N1 C2 C3 . . 122.3(3) ?
    C3 C2 S1 . . 114.7(3) ?
    C2 C3 H3 . . 120.3 ?
    C4 C3 C2 . . 119.3(4) ?
    C4 C3 H3 . . 120.3 ?
    C3 C4 H4 . . 120.4 ?
    C3 C4 C5 . . 119.1(4) ?
    C5 C4 H4 . . 120.4 ?
    C4 C5 H5 . . 120.9 ?
    C6 C5 C4 . . 118.1(4) ?
    C6 C5 H5 . . 120.9 ?
    N1 C6 C5 . . 123.9(4) ?
    N1 C6 H6 . . 118.1 ?
    C5 C6 H6 . . 118.1 ?
    S1 C7 H7A . . 108.5 ?
    S1 C7 H7B . . 108.5 ?
    H7A C7 H7B . . 107.5 ?
    C8 C7 S1 . . 115.0(3) ?
    C8 C7 H7A . . 108.5 ?
    C8 C7 H7B . . 108.5 ?
    Cu1 C8 H8 . . 93.7 ?
    C7 C8 Cu1 . . 104.9(2) ?
    C7 C8 H8 . . 118.0 ?
    C9 C8 Cu1 . . 71.5(2) ?
    C9 C8 C7 . . 123.9(4) ?
    C9 C8 H8 . . 118.0 ?
    Cu1 C9 H9A . . 104.7 ?
    Cu1 C9 H9B . . 95.0 ?
    C8 C9 Cu1 . . 70.1(2) ?
    C8 C9 H9A . . 120.0 ?
    C8 C9 H9B . . 120.0 ?
    H9A C9 H9B . . 120.0 ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    Cu1 N1 C2 S1 . . . . -6.5(4) ?
    Cu1 N1 C2 C3 . . . . 171.5(3) ?
    Cu1 N1 C6 C5 . . . . -172.5(3) ?
    S1 C2 C3 C4 . . . . 178.3(3) ?
    S1 C7 C8 Cu1 . . . . -74.2(3) ?
    S1 C7 C8 C9 . . . . -151.7(3) ?
    N1 C2 C3 C4 . . . . 0.2(5) ?
    C2 S1 C7 C8 . . . . 68.3(3) ?
    C2 N1 C6 C5 . . . . 1.3(5) ?
    C2 C3 C4 C5 . . . . 1.2(5) ?
    C3 C4 C5 C6 . . . . -1.3(6) ?
    C4 C5 C6 N1 . . . . 0.1(6) ?
    C6 N1 C2 S1 . . . . -179.3(3) ?
    C6 N1 C2 C3 . . . . -1.4(5) ?
    C7 S1 C2 N1 . . . . -20.3(3) ?
    C7 S1 C2 C3 . . . . 161.7(3) ?
    C7 C8 C9 Cu1 . . . . 95.9(3) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    _geom_hbond_publ_flag
    C3 H3 Br1 1_655 0.95 3.02 3.696(4) 129 yes
    C6 H6 Br1 . 0.95 2.94 3.576(4) 126 yes
    C7 H7B Br1 2_655 0.99 2.94 3.744(4) 139 yes
_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.
;
_shelx_estimated_absorpt_T_min     ?
_shelx_estimated_absorpt_T_max     ?
data_publication_text
_journal_data_validation_number     ?
_journal_date_recd_electronic     2021-10-12
_journal_date_accepted     2021-10-21
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2021
_journal_volume     77
_journal_issue     11
_journal_page_first     1180
_journal_page_last     1184
_journal_paper_category     GM
_journal_paper_doi     10.1107/S2056989021011002
_journal_coeditor_code     HB7993
_publ_contact_author_name
;
Nazariy T. Pokhodylo
;
_publ_contact_author_address
;
Department of Organic Chemistry,
Ivan Franko National University of Lviv,
Kyryla i Mefodiya, 6,
Lviv, 79005 Ukraine
;
_publ_contact_author_email     'pokhodylo@gmail.com'
_publ_contact_author_fax     ?
_publ_contact_author_phone     ?
_publ_section_title
;
Syntheses and crystal structures of two copper(I)--halide π,σ-coordination
compounds based on 2-[(prop-2-en-1-yl)sulfanyl]pyridine
;
_publ_section_title_footnote     .
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Slyvka, Yurii' .
;
Department of Inorganic Chemistry,
Ivan Franko National University of Lviv,
Kyryla i Mefodiya, 6,
Lviv, 79005, Ukraine
;
    'Pokhodylo, Nazariy T.' .
;
Department of Organic Chemistry,
Ivan Franko National University of Lviv,
Kyryla i Mefodiya, 6,
Lviv, 79005, Ukraine
;
    'Goreshnik, Evgeny' .
;
Department of Inorganic Chemistry and Technology,
Jozef Stefan Institute,
Jamova 39, SI-1000 Ljubljana, Slovenia
;
    'Pavlyuk, Olexii' .
;
Department of Inorganic Chemistry,
Ivan Franko National University of Lviv,
Kyryla i Mefodiya, 6,
Lviv, 79005, Ukraine
;
    'Mys`kiv, Marian' .
;
Department of Inorganic Chemistry,
Ivan Franko National University of Lviv,
Kyryla i Mefodiya, 6,
Lviv, 79005, Ukraine
;
_publ_section_synopsis     .
