##############################################################################
#                                                                            #
# 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     'SHELXL-2014/7'
_chemical_name_systematic
;\
[N,N-Bis(2-hydroxyethyl)dithiocarbamato-κ²S,S']\
bis(triphenylphosphane-κP)copper(I) chloroform monosolvate
;
_chemical_name_common     ?
_chemical_formula_moiety     'C41 H40 Cu N O2 P2 S2, C H Cl3'
_chemical_formula_sum     'C42 H41 Cl3 Cu N O2 P2 S2'
_chemical_formula_iupac     '[Cu (C5 H5 N O2 S2) (C18 H15 P)2], C H Cl3'
_chemical_formula_weight     887.71
_chemical_melting_point     ?
_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.
;
_space_group_crystal_system     triclinic
_space_group_name_H-M_alt     'P -1'
_space_group_name_Hall     '-P 1'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     10.7271(2)
_cell_length_b     13.5412(2)
_cell_length_c     15.9361(3)
_cell_angle_alpha     67.747(2)
_cell_angle_beta     87.126(2)
_cell_angle_gamma     72.826(2)
_cell_volume     2041.92(7)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     38605
_cell_measurement_theta_min     3.09
_cell_measurement_theta_max     30.05
_cell_measurement_temperature     100(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.440
_exptl_crystal_size_mid     0.240
_exptl_crystal_size_min     0.190
_exptl_crystal_density_diffrn     1.444
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     916
_exptl_absorpt_coefficient_mu     0.949
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Rigaku Oxford Diffraction, 2015)
;
_shelx_estimated_absorpt_T_min     0.680
_shelx_estimated_absorpt_T_max     0.840
_exptl_absorpt_correction_T_min     0.92829
_exptl_absorpt_correction_T_max     1.00000
_diffrn_ambient_temperature     100.0(10)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator     mirror
_diffrn_measurement_device_type
                                  'Rigaku  SuperNova,  Dual Mo at zero, AtlasS2'
_diffrn_measurement_device     'four-circle diffractometer'
_diffrn_measurement_method     'ω scans'
_diffrn_detector_area_resol_mean     5.2303
_diffrn_reflns_number     78295
_diffrn_reflns_av_R_equivalents     0.0285
_diffrn_reflns_theta_min     2.345
_diffrn_reflns_theta_max     30.227
_diffrn_reflns_theta_full     25.242
_diffrn_measured_fraction_theta_max     0.933
_diffrn_measured_fraction_theta_full     0.999
_diffrn_reflns_limit_h_min     -14
_diffrn_reflns_limit_h_max     14
_diffrn_reflns_limit_k_min     -19
_diffrn_reflns_limit_k_max     18
_diffrn_reflns_limit_l_min     -22
_diffrn_reflns_limit_l_max     21
_refine_special_details     ?
_reflns_number_total     11363
_reflns_number_gt     10195
_reflns_threshold_expression     'I > 2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0504
_refine_ls_R_factor_gt     0.0445
_refine_ls_wR_factor_gt     0.1127
_refine_ls_wR_factor_ref     0.1172
_refine_ls_goodness_of_fit_ref     1.034
_refine_ls_restrained_S_all     1.034
_refine_ls_number_reflns     11363
_refine_ls_number_parameters     478
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
              'w=1/[σ²(Fo²)+(0.0542P)²+3.7972P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary     ?
_refine_ls_shift/su_max     0.002
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     1.965
_refine_diff_density_min     -1.926
_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'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'P' 'P' 0.1023 0.0942
                         '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
;
CrysAlis PRO (Rigaku Oxford Diffraction, 2015)
;
_computing_cell_refinement
;
CrysAlis PRO (Rigaku Oxford Diffraction, 2015)
;
_computing_data_reduction
;
CrysAlis PRO (Rigaku Oxford Diffraction, 2015)
;
_computing_structure_solution
;
SHELXS (Sheldrick, 2008)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012), QMol (Gans & Shalloway,
2001) and
DIAMOND (Brandenburg, 2006)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
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 Cu 0.36192(2) 0.77121(2) 0.71076(2) 0.01300(7) Uani d 1 . .
    S S1 0.19989(5) 0.72501(4) 0.81318(3) 0.01687(10) Uani d 1 . .
    S S2 0.18227(5) 0.94266(4) 0.66887(3) 0.01434(10) Uani d 1 . .
    P P1 0.51698(5) 0.80568(4) 0.77705(3) 0.01311(10) Uani d 1 . .
    P P2 0.40667(5) 0.66266(4) 0.62988(3) 0.01279(10) Uani d 1 . .
    O O1 -0.0657(2) 1.09492(18) 0.86819(14) 0.0388(5) Uani d 1 . .
    H H1O -0.0221 1.1248 0.8899 0.058 Uiso d 1 . .
    O O2 -0.0552(2) 0.89051(18) 0.99446(14) 0.0379(5) Uani d 1 . .
    H H2O -0.0317 0.9473 0.9646 0.057 Uiso d 1 . .
    N N1 0.00449(17) 0.90924(16) 0.79337(12) 0.0179(3) Uani d 1 . .
    C C1 0.11675(19) 0.86434(16) 0.76152(13) 0.0138(3) Uani d 1 . .
    C C2 -0.0662(2) 1.02862(19) 0.74859(15) 0.0222(4) Uani d 1 . .
    H H2A -0.1600 1.0404 0.7600 0.027 Uiso calc 1 . .
    H H2B -0.0588 1.0517 0.6822 0.027 Uiso calc 1 . .
    C C3 -0.0154(3) 1.1018(2) 0.78121(17) 0.0274(5) Uani d 1 . .
    H H3A 0.0814 1.0761 0.7870 0.033 Uiso calc 1 . .
    H H3B -0.0444 1.1802 0.7370 0.033 Uiso calc 1 . .
    C C4 -0.0538(2) 0.8356(2) 0.86728(15) 0.0244(5) Uani d 1 . .
    H H4A -0.0415 0.7655 0.8574 0.029 Uiso calc 1 . .
    H H4B -0.1491 0.8725 0.8635 0.029 Uiso calc 1 . .
    C C5 0.0018(2) 0.8061(2) 0.96199(16) 0.0276(5) Uani d 1 . .
    H H5A -0.0136 0.7356 1.0035 0.033 Uiso calc 1 . .
    H H5B 0.0974 0.7937 0.9613 0.033 Uiso calc 1 . .
    C C11 0.4522(2) 0.90455(17) 0.83239(13) 0.0155(4) Uani d 1 . .
    C C12 0.3587(2) 0.88068(19) 0.89530(15) 0.0193(4) Uani d 1 . .
    H H12 0.3316 0.8164 0.9064 0.023 Uiso calc 1 . .
    C C13 0.3054(2) 0.9506(2) 0.94159(15) 0.0223(4) Uani d 1 . .
    H H13 0.2421 0.9338 0.9842 0.027 Uiso calc 1 . .
    C C14 0.3446(2) 1.0450(2) 0.92569(16) 0.0239(4) Uani d 1 . .
    H H14 0.3080 1.0928 0.9572 0.029 Uiso calc 1 . .
    C C15 0.4374(3) 1.0687(2) 0.86363(16) 0.0264(5) Uani d 1 . .
    H H15 0.4645 1.1330 0.8528 0.032 Uiso calc 1 . .
    C C16 0.4912(2) 0.99887(18) 0.81703(15) 0.0214(4) Uani d 1 . .
    H H16 0.5547 1.0158 0.7746 0.026 Uiso calc 1 . .
    C C21 0.6312(2) 0.86383(16) 0.69950(13) 0.0140(3) Uani d 1 . .
    C C22 0.5816(2) 0.96097(17) 0.62185(14) 0.0186(4) Uani d 1 . .
    H H22 0.4900 0.9973 0.6120 0.022 Uiso calc 1 . .
    C C23 0.6653(2) 1.00436(18) 0.55932(15) 0.0221(4) Uani d 1 . .
    H H23 0.6308 1.0706 0.5072 0.027 Uiso calc 1 . .
    C C24 0.7997(2) 0.95133(19) 0.57246(15) 0.0212(4) Uani d 1 . .
    H H24 0.8568 0.9818 0.5298 0.025 Uiso calc 1 . .
    C C25 0.8497(2) 0.85403(19) 0.64806(14) 0.0196(4) Uani d 1 . .
    H H25 0.9411 0.8171 0.6568 0.024 Uiso calc 1 . .
    C C26 0.7660(2) 0.81042(18) 0.71115(14) 0.0169(4) Uani d 1 . .
    H H26 0.8009 0.7436 0.7627 0.020 Uiso calc 1 . .
    C C31 0.6275(2) 0.68849(17) 0.86749(13) 0.0162(4) Uani d 1 . .
    C C32 0.6884(2) 0.70275(19) 0.93539(15) 0.0218(4) Uani d 1 . .
    H H32 0.6666 0.7743 0.9389 0.026 Uiso calc 1 . .
    C C33 0.7811(2) 0.6126(2) 0.99804(16) 0.0268(5) Uani d 1 . .
    H H33 0.8220 0.6228 1.0444 0.032 Uiso calc 1 . .
    C C34 0.8138(3) 0.5084(2) 0.99318(17) 0.0300(5) Uani d 1 . .
    H H34 0.8781 0.4474 1.0356 0.036 Uiso calc 1 . .
    C C35 0.7531(3) 0.4929(2) 0.9266(2) 0.0347(6) Uani d 1 . .
    H H35 0.7752 0.4211 0.9236 0.042 Uiso calc 1 . .
    C C36 0.6593(2) 0.58267(19) 0.86396(18) 0.0267(5) Uani d 1 . .
    H H36 0.6170 0.5716 0.8187 0.032 Uiso calc 1 . .
    C C41 0.48854(19) 0.51623(16) 0.69995(14) 0.0156(4) Uani d 1 . .
    C C42 0.5952(2) 0.45035(19) 0.67222(16) 0.0220(4) Uani d 1 . .
    H H42 0.6255 0.4805 0.6136 0.026 Uiso calc 1 . .
    C C43 0.6577(2) 0.3406(2) 0.73001(18) 0.0272(5) Uani d 1 . .
    H H43 0.7300 0.2961 0.7105 0.033 Uiso calc 1 . .
    C C44 0.6151(2) 0.29608(19) 0.81547(18) 0.0273(5) Uani d 1 . .
    H H44 0.6593 0.2219 0.8552 0.033 Uiso calc 1 . .
    C C45 0.5079(3) 0.3600(2) 0.84291(17) 0.0273(5) Uani d 1 . .
    H H45 0.4773 0.3288 0.9012 0.033 Uiso calc 1 . .
    C C46 0.4446(2) 0.46945(18) 0.78592(16) 0.0223(4) Uani d 1 . .
    H H46 0.3711 0.5127 0.8055 0.027 Uiso calc 1 . .
    C C51 0.26885(19) 0.65508(16) 0.57220(13) 0.0135(3) Uani d 1 . .
    C C52 0.2709(2) 0.55962(17) 0.55691(14) 0.0169(4) Uani d 1 . .
    H H52 0.3427 0.4937 0.5812 0.020 Uiso calc 1 . .
    C C53 0.1684(2) 0.56083(18) 0.50627(15) 0.0196(4) Uani d 1 . .
    H H53 0.1702 0.4958 0.4960 0.024 Uiso calc 1 . .
    C C54 0.0630(2) 0.65717(19) 0.47064(15) 0.0207(4) Uani d 1 . .
    H H54 -0.0067 0.6581 0.4355 0.025 Uiso calc 1 . .
    C C55 0.0595(2) 0.75232(18) 0.48645(15) 0.0192(4) Uani d 1 . .
    H H55 -0.0125 0.8181 0.4622 0.023 Uiso calc 1 . .
    C C56 0.16193(19) 0.75072(17) 0.53791(14) 0.0158(4) Uani d 1 . .
    H H56 0.1588 0.8151 0.5496 0.019 Uiso calc 1 . .
    C C61 0.51483(19) 0.69669(16) 0.53792(14) 0.0150(4) Uani d 1 . .
    C C62 0.4884(2) 0.70661(17) 0.44993(14) 0.0179(4) Uani d 1 . .
    H H62 0.4136 0.6900 0.4363 0.021 Uiso calc 1 . .
    C C63 0.5711(2) 0.74078(18) 0.38150(16) 0.0225(4) Uani d 1 . .
    H H63 0.5526 0.7468 0.3218 0.027 Uiso calc 1 . .
    C C64 0.6801(2) 0.7659(2) 0.40050(18) 0.0266(5) Uani d 1 . .
    H H64 0.7356 0.7901 0.3538 0.032 Uiso calc 1 . .
    C C65 0.7076(2) 0.7553(2) 0.4883(2) 0.0295(5) Uani d 1 . .
    H H65 0.7827 0.7716 0.5018 0.035 Uiso calc 1 . .
    C C66 0.6258(2) 0.7211(2) 0.55654(17) 0.0237(5) Uani d 1 . .
    H H66 0.6454 0.7141 0.6164 0.028 Uiso calc 1 . .
    C C6 0.0552(3) 0.4509(2) 0.7262(2) 0.0354(6) Uani d 1 . .
    H H6 0.0901 0.4682 0.6646 0.042 Uiso calc 1 . .
    Cl Cl1 0.14649(11) 0.31507(7) 0.79474(7) 0.0593(3) Uani d 1 . .
    Cl Cl2 -0.10822(9) 0.46142(12) 0.71310(9) 0.0740(4) Uani d 1 . .
    Cl Cl3 0.07466(6) 0.55046(5) 0.76719(4) 0.03169(13) Uani d 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
    Cu P2 . 2.2380(5) n
    Cu P1 . 2.2602(6) n
    Cu S1 . 2.3791(6) n
    Cu S2 . 2.4213(5) n
    S1 C1 . 1.714(2) ?
    S2 C1 . 1.717(2) ?
    P1 C31 . 1.824(2) ?
    P1 C21 . 1.825(2) ?
    P1 C11 . 1.827(2) ?
    P2 C51 . 1.827(2) ?
    P2 C61 . 1.828(2) ?
    P2 C41 . 1.828(2) ?
    O1 C3 . 1.442(3) ?
    O1 H1O . 0.8576 ?
    O2 C5 . 1.397(3) ?
    O2 H2O . 0.8400 ?
    N1 C1 . 1.348(3) ?
    N1 C2 . 1.468(3) ?
    N1 C4 . 1.476(3) ?
    C2 C3 . 1.513(3) ?
    C2 H2A . 0.9900 ?
    C2 H2B . 0.9900 ?
    C3 H3A . 0.9900 ?
    C3 H3B . 0.9900 ?
    C4 C5 . 1.512(3) ?
    C4 H4A . 0.9900 ?
    C4 H4B . 0.9900 ?
    C5 H5A . 0.9900 ?
    C5 H5B . 0.9900 ?
    C11 C16 . 1.391(3) ?
    C11 C12 . 1.400(3) ?
    C12 C13 . 1.391(3) ?
    C12 H12 . 0.9500 ?
    C13 C14 . 1.391(3) ?
    C13 H13 . 0.9500 ?
    C14 C15 . 1.386(3) ?
    C14 H14 . 0.9500 ?
    C15 C16 . 1.395(3) ?
    C15 H15 . 0.9500 ?
    C16 H16 . 0.9500 ?
    C21 C26 . 1.399(3) ?
    C21 C22 . 1.402(3) ?
    C22 C23 . 1.386(3) ?
    C22 H22 . 0.9500 ?
    C23 C24 . 1.394(3) ?
    C23 H23 . 0.9500 ?
    C24 C25 . 1.386(3) ?
    C24 H24 . 0.9500 ?
    C25 C26 . 1.392(3) ?
    C25 H25 . 0.9500 ?
    C26 H26 . 0.9500 ?
    C31 C32 . 1.392(3) ?
    C31 C36 . 1.394(3) ?
    C32 C33 . 1.391(3) ?
    C32 H32 . 0.9500 ?
    C33 C34 . 1.381(4) ?
    C33 H33 . 0.9500 ?
    C34 C35 . 1.383(4) ?
    C34 H34 . 0.9500 ?
    C35 C36 . 1.395(3) ?
    C35 H35 . 0.9500 ?
    C36 H36 . 0.9500 ?
    C41 C42 . 1.395(3) ?
    C41 C46 . 1.398(3) ?
    C42 C43 . 1.394(3) ?
    C42 H42 . 0.9500 ?
    C43 C44 . 1.380(4) ?
    C43 H43 . 0.9500 ?
    C44 C45 . 1.382(4) ?
    C44 H44 . 0.9500 ?
    C45 C46 . 1.390(3) ?
    C45 H45 . 0.9500 ?
    C46 H46 . 0.9500 ?
    C51 C56 . 1.393(3) ?
    C51 C52 . 1.397(3) ?
    C52 C53 . 1.389(3) ?
    C52 H52 . 0.9500 ?
    C53 C54 . 1.391(3) ?
    C53 H53 . 0.9500 ?
    C54 C55 . 1.393(3) ?
    C54 H54 . 0.9500 ?
    C55 C56 . 1.394(3) ?
    C55 H55 . 0.9500 ?
    C56 H56 . 0.9500 ?
    C61 C62 . 1.393(3) ?
    C61 C66 . 1.398(3) ?
    C62 C63 . 1.397(3) ?
    C62 H62 . 0.9500 ?
    C63 C64 . 1.387(3) ?
    C63 H63 . 0.9500 ?
    C64 C65 . 1.390(4) ?
    C64 H64 . 0.9500 ?
    C65 C66 . 1.389(3) ?
    C65 H65 . 0.9500 ?
    C66 H66 . 0.9500 ?
    C6 Cl2 . 1.733(3) ?
    C6 Cl1 . 1.748(3) ?
    C6 Cl3 . 1.771(3) ?
    C6 H6 . 1.0000 ?
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
    P2 Cu P1 . . 123.65(2) ?
    P2 Cu S1 . . 109.81(2) ?
    P1 Cu S1 . . 110.96(2) ?
    P2 Cu S2 . . 123.17(2) ?
    P1 Cu S2 . . 103.74(2) ?
    S1 Cu S2 . . 75.264(18) ?
    C1 S1 Cu . . 84.12(7) ?
    C1 S2 Cu . . 82.75(7) ?
    C31 P1 C21 . . 101.95(9) ?
    C31 P1 C11 . . 101.78(9) ?
    C21 P1 C11 . . 104.44(9) ?
    C31 P1 Cu . . 118.06(7) ?
    C21 P1 Cu . . 114.57(7) ?
    C11 P1 Cu . . 114.16(7) ?
    C51 P2 C61 . . 102.10(9) ?
    C51 P2 C41 . . 103.13(9) ?
    C61 P2 C41 . . 103.77(9) ?
    C51 P2 Cu . . 117.50(6) ?
    C61 P2 Cu . . 116.28(7) ?
    C41 P2 Cu . . 112.27(7) ?
    C3 O1 H1O . . 105.7 ?
    C5 O2 H2O . . 109.4 ?
    C1 N1 C2 . . 120.12(18) ?
    C1 N1 C4 . . 119.48(18) ?
    C2 N1 C4 . . 120.09(18) ?
    N1 C1 S1 . . 120.50(15) ?
    N1 C1 S2 . . 122.12(15) ?
    S1 C1 S2 . . 117.38(11) ?
    N1 C2 C3 . . 113.01(18) ?
    N1 C2 H2A . . 109.0 ?
    C3 C2 H2A . . 109.0 ?
    N1 C2 H2B . . 109.0 ?
    C3 C2 H2B . . 109.0 ?
    H2A C2 H2B . . 107.8 ?
    O1 C3 C2 . . 108.3(2) ?
    O1 C3 H3A . . 110.0 ?
    C2 C3 H3A . . 110.0 ?
    O1 C3 H3B . . 110.0 ?
    C2 C3 H3B . . 110.0 ?
    H3A C3 H3B . . 108.4 ?
    N1 C4 C5 . . 114.9(2) ?
    N1 C4 H4A . . 108.5 ?
    C5 C4 H4A . . 108.5 ?
    N1 C4 H4B . . 108.5 ?
    C5 C4 H4B . . 108.5 ?
    H4A C4 H4B . . 107.5 ?
    O2 C5 C4 . . 111.6(2) ?
    O2 C5 H5A . . 109.3 ?
    C4 C5 H5A . . 109.3 ?
    O2 C5 H5B . . 109.3 ?
    C4 C5 H5B . . 109.3 ?
    H5A C5 H5B . . 108.0 ?
    C16 C11 C12 . . 119.11(19) ?
    C16 C11 P1 . . 124.41(16) ?
    C12 C11 P1 . . 116.47(16) ?
    C13 C12 C11 . . 120.4(2) ?
    C13 C12 H12 . . 119.8 ?
    C11 C12 H12 . . 119.8 ?
    C14 C13 C12 . . 120.2(2) ?
    C14 C13 H13 . . 119.9 ?
    C12 C13 H13 . . 119.9 ?
    C15 C14 C13 . . 119.6(2) ?
    C15 C14 H14 . . 120.2 ?
    C13 C14 H14 . . 120.2 ?
    C14 C15 C16 . . 120.4(2) ?
    C14 C15 H15 . . 119.8 ?
    C16 C15 H15 . . 119.8 ?
    C11 C16 C15 . . 120.3(2) ?
    C11 C16 H16 . . 119.9 ?
    C15 C16 H16 . . 119.9 ?
    C26 C21 C22 . . 118.63(19) ?
    C26 C21 P1 . . 122.28(15) ?
    C22 C21 P1 . . 118.91(16) ?
    C23 C22 C21 . . 120.4(2) ?
    C23 C22 H22 . . 119.8 ?
    C21 C22 H22 . . 119.8 ?
    C22 C23 C24 . . 120.4(2) ?
    C22 C23 H23 . . 119.8 ?
    C24 C23 H23 . . 119.8 ?
    C25 C24 C23 . . 119.7(2) ?
    C25 C24 H24 . . 120.1 ?
    C23 C24 H24 . . 120.1 ?
    C24 C25 C26 . . 120.0(2) ?
    C24 C25 H25 . . 120.0 ?
    C26 C25 H25 . . 120.0 ?
    C25 C26 C21 . . 120.80(19) ?
    C25 C26 H26 . . 119.6 ?
    C21 C26 H26 . . 119.6 ?
    C32 C31 C36 . . 119.2(2) ?
    C32 C31 P1 . . 122.25(16) ?
    C36 C31 P1 . . 118.39(16) ?
    C33 C32 C31 . . 120.2(2) ?
    C33 C32 H32 . . 119.9 ?
    C31 C32 H32 . . 119.9 ?
    C34 C33 C32 . . 120.3(2) ?
    C34 C33 H33 . . 119.9 ?
    C32 C33 H33 . . 119.9 ?
    C33 C34 C35 . . 120.0(2) ?
    C33 C34 H34 . . 120.0 ?
    C35 C34 H34 . . 120.0 ?
    C34 C35 C36 . . 120.0(2) ?
    C34 C35 H35 . . 120.0 ?
    C36 C35 H35 . . 120.0 ?
    C31 C36 C35 . . 120.2(2) ?
    C31 C36 H36 . . 119.9 ?
    C35 C36 H36 . . 119.9 ?
    C42 C41 C46 . . 118.73(19) ?
    C42 C41 P2 . . 122.71(17) ?
    C46 C41 P2 . . 118.53(16) ?
    C41 C42 C43 . . 120.4(2) ?
    C41 C42 H42 . . 119.8 ?
    C43 C42 H42 . . 119.8 ?
    C44 C43 C42 . . 120.3(2) ?
    C44 C43 H43 . . 119.8 ?
    C42 C43 H43 . . 119.8 ?
    C43 C44 C45 . . 119.7(2) ?
    C43 C44 H44 . . 120.1 ?
    C45 C44 H44 . . 120.1 ?
    C44 C45 C46 . . 120.5(2) ?
    C44 C45 H45 . . 119.7 ?
    C46 C45 H45 . . 119.7 ?
    C45 C46 C41 . . 120.3(2) ?
    C45 C46 H46 . . 119.8 ?
    C41 C46 H46 . . 119.8 ?
    C56 C51 C52 . . 119.51(18) ?
    C56 C51 P2 . . 118.08(15) ?
    C52 C51 P2 . . 122.29(15) ?
    C53 C52 C51 . . 120.22(19) ?
    C53 C52 H52 . . 119.9 ?
    C51 C52 H52 . . 119.9 ?
    C52 C53 C54 . . 120.1(2) ?
    C52 C53 H53 . . 119.9 ?
    C54 C53 H53 . . 119.9 ?
    C53 C54 C55 . . 120.0(2) ?
    C53 C54 H54 . . 120.0 ?
    C55 C54 H54 . . 120.0 ?
    C54 C55 C56 . . 119.85(19) ?
    C54 C55 H55 . . 120.1 ?
    C56 C55 H55 . . 120.1 ?
    C51 C56 C55 . . 120.29(19) ?
    C51 C56 H56 . . 119.9 ?
    C55 C56 H56 . . 119.9 ?
    C62 C61 C66 . . 118.8(2) ?
    C62 C61 P2 . . 123.81(16) ?
    C66 C61 P2 . . 117.29(16) ?
    C61 C62 C63 . . 120.5(2) ?
    C61 C62 H62 . . 119.7 ?
    C63 C62 H62 . . 119.7 ?
    C64 C63 C62 . . 120.2(2) ?
    C64 C63 H63 . . 119.9 ?
    C62 C63 H63 . . 119.9 ?
    C63 C64 C65 . . 119.6(2) ?
    C63 C64 H64 . . 120.2 ?
    C65 C64 H64 . . 120.2 ?
    C66 C65 C64 . . 120.3(2) ?
    C66 C65 H65 . . 119.8 ?
    C64 C65 H65 . . 119.8 ?
    C65 C66 C61 . . 120.6(2) ?
    C65 C66 H66 . . 119.7 ?
    C61 C66 H66 . . 119.7 ?
    Cl2 C6 Cl1 . . 111.63(17) ?
    Cl2 C6 Cl3 . . 111.63(17) ?
    Cl1 C6 Cl3 . . 111.60(15) ?
    Cl2 C6 H6 . . 107.2 ?
    Cl1 C6 H6 . . 107.2 ?
    Cl3 C6 H6 . . 107.2 ?
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
    C2 N1 C1 S1 . . . . -179.88(15) ?
    C4 N1 C1 S1 . . . . -6.2(3) ?
    C2 N1 C1 S2 . . . . 0.1(3) ?
    C4 N1 C1 S2 . . . . 173.79(16) ?
    Cu S1 C1 N1 . . . . -173.40(17) ?
    Cu S1 C1 S2 . . . . 6.57(10) ?
    Cu S2 C1 N1 . . . . 173.49(17) ?
    Cu S2 C1 S1 . . . . -6.48(10) ?
    C1 N1 C2 C3 . . . . -84.6(2) ?
    C4 N1 C2 C3 . . . . 101.8(2) ?
    N1 C2 C3 O1 . . . . -77.9(2) ?
    C1 N1 C4 C5 . . . . 83.8(3) ?
    C2 N1 C4 C5 . . . . -102.5(2) ?
    N1 C4 C5 O2 . . . . 82.1(3) ?
    C31 P1 C11 C16 . . . . 103.55(19) ?
    C21 P1 C11 C16 . . . . -2.2(2) ?
    Cu P1 C11 C16 . . . . -128.12(17) ?
    C31 P1 C11 C12 . . . . -75.31(18) ?
    C21 P1 C11 C12 . . . . 178.89(16) ?
    Cu P1 C11 C12 . . . . 53.01(17) ?
    C16 C11 C12 C13 . . . . 0.2(3) ?
    P1 C11 C12 C13 . . . . 179.10(17) ?
    C11 C12 C13 C14 . . . . 0.0(3) ?
    C12 C13 C14 C15 . . . . -0.2(4) ?
    C13 C14 C15 C16 . . . . 0.2(4) ?
    C12 C11 C16 C15 . . . . -0.2(3) ?
    P1 C11 C16 C15 . . . . -179.03(18) ?
    C14 C15 C16 C11 . . . . 0.0(4) ?
    C31 P1 C21 C26 . . . . 8.01(19) ?
    C11 P1 C21 C26 . . . . 113.67(18) ?
    Cu P1 C21 C26 . . . . -120.71(16) ?
    C31 P1 C21 C22 . . . . -176.85(16) ?
    C11 P1 C21 C22 . . . . -71.19(18) ?
    Cu P1 C21 C22 . . . . 54.43(17) ?
    C26 C21 C22 C23 . . . . -1.6(3) ?
    P1 C21 C22 C23 . . . . -176.94(17) ?
    C21 C22 C23 C24 . . . . 0.6(3) ?
    C22 C23 C24 C25 . . . . 0.6(3) ?
    C23 C24 C25 C26 . . . . -0.9(3) ?
    C24 C25 C26 C21 . . . . -0.2(3) ?
    C22 C21 C26 C25 . . . . 1.4(3) ?
    P1 C21 C26 C25 . . . . 176.57(16) ?
    C21 P1 C31 C32 . . . . 79.67(19) ?
    C11 P1 C31 C32 . . . . -28.1(2) ?
    Cu P1 C31 C32 . . . . -153.85(16) ?
    C21 P1 C31 C36 . . . . -95.22(19) ?
    C11 P1 C31 C36 . . . . 157.05(19) ?
    Cu P1 C31 C36 . . . . 31.3(2) ?
    C36 C31 C32 C33 . . . . 0.8(3) ?
    P1 C31 C32 C33 . . . . -174.02(18) ?
    C31 C32 C33 C34 . . . . 0.3(4) ?
    C32 C33 C34 C35 . . . . -0.9(4) ?
    C33 C34 C35 C36 . . . . 0.4(4) ?
    C32 C31 C36 C35 . . . . -1.3(4) ?
    P1 C31 C36 C35 . . . . 173.7(2) ?
    C34 C35 C36 C31 . . . . 0.7(4) ?
    C51 P2 C41 C42 . . . . 96.01(19) ?
    C61 P2 C41 C42 . . . . -10.2(2) ?
    Cu P2 C41 C42 . . . . -136.55(17) ?
    C51 P2 C41 C46 . . . . -85.86(18) ?
    C61 P2 C41 C46 . . . . 167.95(17) ?
    Cu P2 C41 C46 . . . . 41.58(19) ?
    C46 C41 C42 C43 . . . . -1.0(3) ?
    P2 C41 C42 C43 . . . . 177.13(18) ?
    C41 C42 C43 C44 . . . . -0.3(4) ?
    C42 C43 C44 C45 . . . . 1.6(4) ?
    C43 C44 C45 C46 . . . . -1.4(4) ?
    C44 C45 C46 C41 . . . . 0.1(4) ?
    C42 C41 C46 C45 . . . . 1.1(3) ?
    P2 C41 C46 C45 . . . . -177.09(19) ?
    C61 P2 C51 C56 . . . . -94.07(16) ?
    C41 P2 C51 C56 . . . . 158.48(16) ?
    Cu P2 C51 C56 . . . . 34.40(18) ?
    C61 P2 C51 C52 . . . . 82.03(18) ?
    C41 P2 C51 C52 . . . . -25.42(19) ?
    Cu P2 C51 C52 . . . . -149.50(15) ?
    C56 C51 C52 C53 . . . . 1.3(3) ?
    P2 C51 C52 C53 . . . . -174.71(16) ?
    C51 C52 C53 C54 . . . . -0.1(3) ?
    C52 C53 C54 C55 . . . . -0.6(3) ?
    C53 C54 C55 C56 . . . . 0.1(3) ?
    C52 C51 C56 C55 . . . . -1.9(3) ?
    P2 C51 C56 C55 . . . . 174.34(16) ?
    C54 C55 C56 C51 . . . . 1.2(3) ?
    C51 P2 C61 C62 . . . . -2.56(19) ?
    C41 P2 C61 C62 . . . . 104.40(18) ?
    Cu P2 C61 C62 . . . . -131.80(16) ?
    C51 P2 C61 C66 . . . . 173.12(17) ?
    C41 P2 C61 C66 . . . . -79.91(18) ?
    Cu P2 C61 C66 . . . . 43.89(18) ?
    C66 C61 C62 C63 . . . . -0.3(3) ?
    P2 C61 C62 C63 . . . . 175.35(16) ?
    C61 C62 C63 C64 . . . . -0.4(3) ?
    C62 C63 C64 C65 . . . . 0.9(3) ?
    C63 C64 C65 C66 . . . . -0.7(4) ?
    C64 C65 C66 C61 . . . . 0.0(4) ?
    C62 C61 C66 C65 . . . . 0.5(3) ?
    P2 C61 C66 C65 . . . . -175.44(18) ?
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
    O2 H2O O1 . 0.84 1.95 2.710(3) 150
    O1 H1O O2 2_577 0.86 1.97 2.697(3) 142
    C6 Cl3 Cg1 . 1.771(3) 3.8075(11) 3.798(3) 76.24(10)
data_global
_journal_date_recd_electronic     2016-11-03
_journal_date_accepted     2016-11-07
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2016
_journal_volume     72
_journal_issue     12
_journal_page_first     1799
_journal_page_last     1805
_journal_paper_category     GM
_journal_paper_doi     10.1107/S2056989016017837
_journal_coeditor_code     HB7632
loop_
    _publ_contact_author_name
    _publ_contact_author_address
    _publ_contact_author_email
    'Edward R.T. Tiekink'
;
Faculty of Science and Technology,
Sunway University,
No. 5 Jalan Universiti,
47500 Bandar Sunway,
Selangor Darul Ehsan, Malaysia
;
 edwardt@sunway.edu.my
_publ_contact_author_fax     ' +60 3 7491 8633 '
_publ_contact_author_phone     ' +60 3 7491 7173 '
_publ_section_title
;\
[N,N-Bis(2-hydroxyethyl)dithiocarbamato-κ²S,S']\
bis(triphenylphosphane-κP)copper(I) chloroform monosolvate: crystal
structure, Hirshfeld surface analysis and solution NMR measurements
;
_publ_section_title_footnote     .
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    ' Sang Loon Tan ' .
;
Research Centre for Crystalline Materials,
Faculty of Science and Technology,
Sunway University, 47500 Bandar Sunway,
Selangor Darul Ehsan, Malaysia
;
    'Chien Ing Yeo ' .
;
Research Centre for Crystalline Materials,
Faculty of Science and Technology,
Sunway University, 47500 Bandar Sunway,
Selangor Darul Ehsan, Malaysia
;
    'Heard, Peter J. ' .
;
Office of the Provost,
Sunway University, 47500 Bandar Sunway,
Selangor Darul Ehsan, Malaysia
;
    'Akien, Geoffrey R.' .
;
Department of Chemistry,
Lancaster University,
Lancaster LA1 4YB,
UK
;
    ' Halcovitch, Nathan R.' .
;
Department of Chemistry,
Lancaster University,
Lancaster LA1 4YB,
UK
;
    'Tiekink, Edward R. T.' .
;
Research Centre for Crystalline Materials,
Faculty of Science and Technology,
Sunway University, 47500 Bandar Sunway,
Selangor Darul Ehsan, Malaysia
;
_publ_section_synopsis
;
A tetrahedral CuP₂S₂ coordination geometry is found for the CuI ion in
the title compound. The dithiocabamate ligand forms symmetric Cu---S bonds. In
the crystal, supramolecular dimers of complex molecules are connected
via eight-membered {...H---O...H---O}₂ synthons. In addition, the
chloroform molecule participates in Cl...π(arene) and S...Cl interactions.
;
