# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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. 
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#######################################################################

data_p
_database_code_depnum_ccdc_archive 'CCDC 1057131'
_audit_update_record             
;
2015-07-01 deposited with the CCDC.
2015-07-02 downloaded from the CCDC.
;
_audit_creation_date             2015-06-30
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
bis(1-butyl-3-methyl-imidazole-2-selone)-dichloro-dipalladium
_chemical_formula_moiety         'C16 H28 Cl4 N4 Pd2 Se2'
_chemical_formula_sum            'C16 H28 Cl4 N4 Pd2 Se2'
_chemical_formula_weight         788.94
_chemical_melting_point          ?
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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      monoclinic
_space_group_IT_number           14
_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                   12.6713(4)
_cell_length_b                   15.2764(4)
_cell_length_c                   13.6503(4)
_cell_angle_alpha                90
_cell_angle_beta                 103.285(2)
_cell_angle_gamma                90
_cell_volume                     2571.60(13)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    325
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      15.03
_cell_measurement_theta_min      2.67
_shelx_estimated_absorpt_T_max   0.707
_shelx_estimated_absorpt_T_min   0.542
_exptl_absorpt_coefficient_mu    4.656
_exptl_absorpt_correction_T_max  0.7071
_exptl_absorpt_correction_T_min  0.5418
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.038
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1520
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1915
_diffrn_reflns_av_unetI/netI     0.2662
_diffrn_reflns_Laue_measured_fraction_full 0.970
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            11871
_diffrn_reflns_point_group_measured_fraction_full 0.970
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         24.996
_diffrn_reflns_theta_min         2.667
_diffrn_ambient_temperature      173.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1846
_reflns_number_total             4518
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         1.127
_refine_diff_density_min         -1.021
_refine_diff_density_rms         0.236
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.944
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     288
_refine_ls_number_reflns         4518
_refine_ls_number_restraints     152
_refine_ls_R_factor_all          0.2128
_refine_ls_R_factor_gt           0.0743
_refine_ls_restrained_S_all      0.931
_refine_ls_shift/su_max          0.899
_refine_ls_shift/su_mean         0.012
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0478P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1222
_refine_ls_wR_factor_ref         0.1695
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, {H16A,H16B,H16C} of C16, All C(H,H) groups
 At 1.5 times of:
  {H16D,H16E,H16F} of C16A, {H8AA,H8AB,H8AC} of C8A, {H8A,H8B,H8C} of C8,
  {H1A,H1B,H1C} of C1, {H9A,H9B,H9C} of C9
2. Restrained distances
 N2-C6A
 2.35 with sigma of 0.01
 C5A-C7A
 2.35 with sigma of 0.01
 C6A-C8A
 2.35 with sigma of 0.01
 C13A-C15A
 2.35 with sigma of 0.01
 C14A-N4
 2.35 with sigma of 0.01
 C16A-C14A
 2.35 with sigma of 0.01
 C13A-C14A
 1.55 with sigma of 0.01
 C13-C14
 1.55 with sigma of 0.01
 C15A-C14A
 1.55 with sigma of 0.01
 C16A-C15A
 1.55 with sigma of 0.01
 C7-C8
 1.55 with sigma of 0.01
 C8A-C7A
 1.55 with sigma of 0.01
 C15-C13
 2.35 with sigma of 0.01
 C15-C14
 1.55 with sigma of 0.01
 C16-C15
 1.55 with sigma of 0.01
 C16-C14
 2.35 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
N2 \\sim C5 \\sim C5A \\sim C6 \\sim C6A \\sim C7 \\sim C7A \\sim C8 \\sim C8A:
within 1.7A with sigma of 0.004 and sigma for terminal atoms of 0.08
N3 \\sim C12: within 1.7A with sigma of 0.004 and sigma for terminal atoms of
0.08
C13 \\sim C13A \\sim C14 \\sim C14A \\sim C15 \\sim C15A \\sim C16 \\sim C16A:
within 1.7A with sigma of 0.004 and sigma for terminal atoms of 0.08
Uanis(C11) \\sim Ueq, Uanis(C10) \\sim Ueq, Uanis(N1) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.2
4. Others
 Fixed Sof: C5(0.5) H5A(0.5) H5B(0.5) C5A(0.5) H5AA(0.5) H5AB(0.5) C6(0.5)
 H6A(0.5) H6B(0.5) C6A(0.5) H6AA(0.5) H6AB(0.5) C7(0.5) H7A(0.5) H7B(0.5)
 C7A(0.5) H7AA(0.5) H7AB(0.5) C8(0.5) H8A(0.5) H8B(0.5) H8C(0.5) C8A(0.5)
 H8AA(0.5) H8AB(0.5) H8AC(0.5) C13(0.5) H13A(0.5) H13B(0.5) C13A(0.5) H13C(0.5)
 H13D(0.5) C14(0.5) H14A(0.5) H14B(0.5) C14A(0.5) H14C(0.5) H14D(0.5) C15(0.5)
 H15A(0.5) H15B(0.5) C15A(0.5) H15C(0.5) H15D(0.5) C16(0.5) H16A(0.5) H16B(0.5)
 H16C(0.5) C16A(0.5) H16D(0.5) H16E(0.5) H16F(0.5)
5.a Riding coordinates:
 C5(H5A,H5B), C5A(H5AA,H5AB), C6(H6A,H6B), C6A(H6AA,H6AB), C7(H7A,H7B),
 C7A(H7AA,H7AB), C8(H8A,H8B,H8C), C8A(H8AA,H8AB,H8AC), C10(H10), C13(H13A,H13B),
  C13A(H13C,H13D), C14(H14A,H14B), C14A(H14C,H14D), C15A(H15C,H15D), C16(H16A,
 H16B,H16C)
5.b Secondary CH2 refined with riding coordinates:
 C15(H15A,H15B)
5.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C11(H11)
5.d Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C9(H9A,H9B,H9C), C16A(H16D,H16E,H16F)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
Pd1 Pd 0.61847(11) 0.04319(9) 0.95647(11) 0.0275(4) Uani 1 1 d . . . . .
Pd2 Pd 0.79823(11) -0.09234(9) 1.09305(10) 0.0273(4) Uani 1 1 d . . . . .
Se1 Se 0.71842(14) 0.04310(13) 1.12868(13) 0.0282(5) Uani 1 1 d . . . . .
Se2 Se 0.62067(14) -0.11184(12) 0.98638(14) 0.0294(5) Uani 1 1 d . . . . .
Cl1 Cl 0.8551(3) -0.2290(3) 1.0477(3) 0.0334(12) Uani 1 1 d . . . . .
Cl2 Cl 0.9650(3) -0.0574(3) 1.1993(3) 0.0370(13) Uani 1 1 d . . . . .
Cl3 Cl 0.6329(4) 0.1940(3) 0.9393(4) 0.0382(13) Uani 1 1 d . . . . .
Cl4 Cl 0.5092(4) 0.0249(3) 0.7969(3) 0.0404(13) Uani 1 1 d . . . . .
N1 N 0.9002(10) 0.1461(9) 1.0870(10) 0.023(4) Uani 1 1 d . U . . .
N2 N 0.8571(14) 0.1787(12) 1.2244(12) 0.057(4) Uani 1 1 d D U . . .
N3 N 0.7134(10) -0.1456(9) 0.8100(11) 0.029(3) Uani 1 1 d . U . . .
N4 N 0.5928(13) -0.2373(11) 0.8303(13) 0.056(5) Uani 1 1 d D . . . .
C1 C 0.9022(12) 0.1043(11) 0.9910(12) 0.028(4) Uani 1 1 d . . . . .
H1A H 0.9195 0.0421 1.0022 0.042 Uiso 1 1 calc GR . . . .
H1B H 0.9575 0.1324 0.9619 0.042 Uiso 1 1 calc GR . . . .
H1C H 0.8310 0.1105 0.9446 0.042 Uiso 1 1 calc GR . . . .
C2 C 0.8317(14) 0.1271(11) 1.1411(14) 0.031(5) Uani 1 1 d . . . . .
C3 C 0.9683(16) 0.2130(11) 1.1303(16) 0.040(5) Uani 1 1 d . . . . .
H3 H 1.0245 0.2391 1.1047 0.048 Uiso 1 1 calc R . . . .
C4 C 0.9386(17) 0.2340(14) 1.2169(19) 0.064(7) Uani 1 1 d . . . . .
H4 H 0.9690 0.2787 1.2632 0.077 Uiso 1 1 calc R . . . .
C5 C 0.790(4) 0.195(4) 1.300(4) 0.057(4) Uani 0.5 1 d . U P A 1
H5A H 0.7239 0.1640 1.2807 0.069 Uiso 0.5 1 d R . P A 1
H5B H 0.7729 0.2557 1.3039 0.069 Uiso 0.5 1 d R . P A 1
C5A C 0.816(4) 0.175(4) 1.320(4) 0.058(4) Uani 0.5 1 d D U P A 2
H5AA H 0.7483 0.1456 1.3009 0.069 Uiso 0.5 1 d R . P A 2
H5AB H 0.8068 0.2304 1.3480 0.069 Uiso 0.5 1 d R . P A 2
C6 C 0.850(4) 0.162(3) 1.404(3) 0.058(4) Uani 0.5 1 d . U P A 1
H6A H 0.8105 0.1792 1.4518 0.070 Uiso 0.5 1 d R . P A 1
H6B H 0.9215 0.1858 1.4233 0.070 Uiso 0.5 1 d R . P A 1
C6A C 0.874(3) 0.114(3) 1.3839(19) 0.059(4) Uani 0.5 1 d D U P A 2
H6AA H 0.9402 0.1448 1.4095 0.070 Uiso 0.5 1 d R . P A 2
H6AB H 0.8892 0.0600 1.3543 0.070 Uiso 0.5 1 d R . P A 2
C7 C 0.872(4) 0.058(3) 1.420(3) 0.058(4) Uani 0.5 1 d D U P A 1
H7A H 0.9399 0.0411 1.4069 0.070 Uiso 0.5 1 d R . P A 1
H7B H 0.8162 0.0388 1.3653 0.070 Uiso 0.5 1 d R . P A 1
C7A C 0.796(3) 0.092(2) 1.459(3) 0.059(4) Uani 0.5 1 d D U P A 2
H7AA H 0.7358 0.1305 1.4517 0.071 Uiso 0.5 1 d R . P A 2
H7AB H 0.8379 0.0915 1.5262 0.071 Uiso 0.5 1 d R . P A 2
C8 C 0.852(4) 0.016(3) 1.518(3) 0.095(16) Uani 0.5 1 d D U P A 1
H8A H 0.8548 -0.0461 1.5114 0.142 Uiso 0.5 1 d R . P A 1
H8B H 0.9086 0.0347 1.5722 0.142 Uiso 0.5 1 d R . P A 1
H8C H 0.7838 0.0324 1.5302 0.142 Uiso 0.5 1 d R . P A 1
C8A C 0.770(4) -0.003(2) 1.421(4) 0.14(2) Uani 0.5 1 d D U P A 2
H8AA H 0.7244 -0.0310 1.4575 0.206 Uiso 0.5 1 d R . P A 2
H8AB H 0.7332 0.0014 1.3523 0.206 Uiso 0.5 1 d R . P A 2
H8AC H 0.8344 -0.0371 1.4261 0.206 Uiso 0.5 1 d R . P A 2
C9 C 0.7844(14) -0.0690(13) 0.8242(14) 0.049(6) Uani 1 1 d . . . . .
H9A H 0.8279 -0.0691 0.7733 0.074 Uiso 1 1 calc GR . . . .
H9B H 0.8326 -0.0708 0.8915 0.074 Uiso 1 1 calc GR . . . .
H9C H 0.7403 -0.0156 0.8171 0.074 Uiso 1 1 calc GR . . . .
C10 C 0.7060(16) -0.2059(13) 0.7346(15) 0.052(6) Uani 1 1 d . U . . .
H10 H 0.7446 -0.2058 0.6853 0.063 Uiso 1 1 d R . . . .
C11 C 0.6233(17) -0.2609(15) 0.7468(17) 0.062(7) Uani 1 1 d . U . . .
H11 H 0.5933 -0.3075 0.7032 0.074 Uiso 1 1 calc R . . . .
C12 C 0.6465(13) -0.1655(12) 0.8686(13) 0.029(3) Uani 1 1 d . U . . .
C13 C 0.498(4) -0.273(3) 0.861(4) 0.097(8) Uiso 0.5 1 d D U P B 2
H13A H 0.4492 -0.2991 0.8052 0.117 Uiso 0.5 1 d R . P B 2
H13B H 0.4618 -0.2305 0.8915 0.117 Uiso 0.5 1 d R . P B 2
C13A C 0.539(2) -0.296(4) 0.896(4) 0.098(8) Uiso 0.5 1 d D U P B 1
H13C H 0.5501 -0.2776 0.9636 0.118 Uiso 0.5 1 d R . P B 1
H13D H 0.5664 -0.3540 0.8938 0.118 Uiso 0.5 1 d R . P B 1
C14 C 0.553(3) -0.340(3) 0.941(4) 0.100(8) Uiso 0.5 1 d D U P B 2
H14A H 0.5976 -0.3135 0.9989 0.120 Uiso 0.5 1 d R . P B 2
H14B H 0.5964 -0.3783 0.9113 0.120 Uiso 0.5 1 d R . P B 2
C14A C 0.4220(18) -0.297(3) 0.832(3) 0.101(8) Uiso 0.5 1 d D U P B 1
H14C H 0.4123 -0.3030 0.7612 0.121 Uiso 0.5 1 d R . P B 1
H14D H 0.3897 -0.2433 0.8461 0.121 Uiso 0.5 1 d R . P B 1
C15 C 0.451(2) -0.389(3) 0.956(4) 0.105(8) Uiso 0.5 1 d D U P B 2
H15A H 0.4037 -0.3508 0.9862 0.126 Uiso 0.5 1 calc R . P B 2
H15B H 0.4080 -0.4137 0.8919 0.126 Uiso 0.5 1 calc R . P B 2
C15A C 0.377(3) -0.375(3) 0.884(4) 0.104(8) Uiso 0.5 1 d D U P B 1
H15C H 0.3860 -0.3678 0.9539 0.124 Uiso 0.5 1 d R . P B 1
H15D H 0.4109 -0.4278 0.8702 0.124 Uiso 0.5 1 d R . P B 1
C16 C 0.506(4) -0.461(2) 1.029(3) 0.108(8) Uiso 0.5 1 d D U P B 2
H16A H 0.4510 -0.4978 1.0458 0.130 Uiso 0.5 1 d R . P B 2
H16B H 0.5494 -0.4948 0.9941 0.130 Uiso 0.5 1 d R . P B 2
H16C H 0.5511 -0.4379 1.0900 0.130 Uiso 0.5 1 d R . P B 2
C16A C 0.256(2) -0.365(3) 0.832(5) 0.15(3) Uiso 0.5 1 d D U P B 1
H16D H 0.2276 -0.3107 0.8543 0.227 Uiso 0.5 1 calc GR . P B 1
H16E H 0.2155 -0.4150 0.8509 0.227 Uiso 0.5 1 calc GR . P B 1
H16F H 0.2466 -0.3641 0.7590 0.227 Uiso 0.5 1 calc GR . P B 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_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pd1 Se1 2.400(2) . ?
Pd1 Se2 2.402(2) . ?
Pd1 Cl3 2.327(5) . ?
Pd1 Cl4 2.314(5) . ?
Pd2 Se1 2.401(2) . ?
Pd2 Se2 2.401(2) . ?
Pd2 Cl1 2.338(5) . ?
Pd2 Cl2 2.333(5) . ?
Se1 C2 1.903(17) . ?
Se2 C12 1.899(17) . ?
N1 C1 1.463(19) . ?
N1 C2 1.295(19) . ?
N1 C3 1.38(2) . ?
N2 C2 1.36(2) . ?
N2 C4 1.36(2) . ?
N2 C5 1.50(5) . ?
N2 C5A 1.51(5) . ?
N3 C9 1.46(2) . ?
N3 C10 1.37(2) . ?
N3 C12 1.328(19) . ?
N4 C11 1.33(2) . ?
N4 C12 1.33(2) . ?
N4 C13 1.46(5) . ?
N4 C13A 1.53(4) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C3 H3 0.9500 . ?
C3 C4 1.36(3) . ?
C4 H4 0.9500 . ?
C5 H5A 0.9525 . ?
C5 H5B 0.9540 . ?
C5 C6 1.54(6) . ?
C5A H5AA 0.9520 . ?
C5A H5AB 0.9526 . ?
C5A C6A 1.37(5) . ?
C6 H6A 0.9488 . ?
C6 H6B 0.9518 . ?
C6 C7 1.61(6) . ?
C6A H6AA 0.9522 . ?
C6A H6AB 0.9524 . ?
C6A C7A 1.62(5) . ?
C7 H7A 0.9509 . ?
C7 H7B 0.9500 . ?
C7 C8 1.560(10) . ?
C7A H7AA 0.9524 . ?
C7A H7AB 0.9480 . ?
C7A C8A 1.548(10) . ?
C8 H8A 0.9549 . ?
C8 H8B 0.9498 . ?
C8 H8C 0.9509 . ?
C8A H8AA 0.9498 . ?
C8A H8AB 0.9473 . ?
C8A H8AC 0.9523 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10 0.9180 . ?
C10 C11 1.38(3) . ?
C11 H11 0.9500 . ?
C13 H13A 0.9496 . ?
C13 H13B 0.9509 . ?
C13 C14 1.548(10) . ?
C13A H13C 0.9470 . ?
C13A H13D 0.9539 . ?
C13A C14A 1.542(10) . ?
C14 H14A 0.9496 . ?
C14 H14B 0.9512 . ?
C14 C15 1.548(10) . ?
C14A H14C 0.9465 . ?
C14A H14D 0.9525 . ?
C14A C15A 1.556(10) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C16 1.545(10) . ?
C15A H15C 0.9464 . ?
C15A H15D 0.9532 . ?
C15A C16A 1.549(10) . ?
C16 C16 1.42(9) 3_647 ?
C16 H16A 0.9599 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C16A H16D 0.9914 . ?
C16A H16E 0.9913 . ?
C16A H16F 0.9913 . ?

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
Se1 Pd1 Se2 81.38(8) . . ?
Cl3 Pd1 Se1 93.63(14) . . ?
Cl3 Pd1 Se2 174.24(14) . . ?
Cl4 Pd1 Se1 171.42(15) . . ?
Cl4 Pd1 Se2 91.26(14) . . ?
Cl4 Pd1 Cl3 93.94(18) . . ?
Se2 Pd2 Se1 81.38(7) . . ?
Cl1 Pd2 Se1 173.11(13) . . ?
Cl1 Pd2 Se2 91.79(13) . . ?
Cl2 Pd2 Se1 92.32(13) . . ?
Cl2 Pd2 Se2 173.62(14) . . ?
Cl2 Pd2 Cl1 94.52(16) . . ?
Pd1 Se1 Pd2 87.37(8) . . ?
C2 Se1 Pd1 107.7(6) . . ?
C2 Se1 Pd2 104.8(5) . . ?
Pd2 Se2 Pd1 87.33(7) . . ?
C12 Se2 Pd1 106.2(6) . . ?
C12 Se2 Pd2 104.3(5) . . ?
C2 N1 C1 124.4(15) . . ?
C2 N1 C3 111.0(15) . . ?
C3 N1 C1 124.7(15) . . ?
C2 N2 C5 128(3) . . ?
C2 N2 C5A 130(3) . . ?
C4 N2 C2 109.7(17) . . ?
C4 N2 C5 120(3) . . ?
C4 N2 C5A 120(3) . . ?
C10 N3 C9 124.9(16) . . ?
C12 N3 C9 124.2(15) . . ?
C12 N3 C10 110.9(15) . . ?
C11 N4 C13 124(3) . . ?
C11 N4 C13A 127(3) . . ?
C12 N4 C11 109.6(17) . . ?
C12 N4 C13 125(3) . . ?
C12 N4 C13A 120(3) . . ?
N1 C1 H1A 109.4 . . ?
N1 C1 H1B 109.5 . . ?
N1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
N1 C2 Se1 133.7(13) . . ?
N1 C2 N2 106.6(15) . . ?
N2 C2 Se1 119.6(14) . . ?
N1 C3 H3 127.0 . . ?
C4 C3 N1 106.0(18) . . ?
C4 C3 H3 127.0 . . ?
N2 C4 C3 107(2) . . ?
N2 C4 H4 126.7 . . ?
C3 C4 H4 126.7 . . ?
N2 C5 H5A 109.1 . . ?
N2 C5 H5B 112.1 . . ?
N2 C5 C6 110(3) . . ?
H5A C5 H5B 107.3 . . ?
C6 C5 H5A 108.0 . . ?
C6 C5 H5B 110.0 . . ?
N2 C5A H5AA 104.8 . . ?
N2 C5A H5AB 114.6 . . ?
H5AA C5A H5AB 109.6 . . ?
C6A C5A N2 110(4) . . ?
C6A C5A H5AA 99.9 . . ?
C6A C5A H5AB 116.5 . . ?
C5 C6 H6A 108.3 . . ?
C5 C6 H6B 111.3 . . ?
C5 C6 C7 119(4) . . ?
H6A C6 H6B 109.0 . . ?
C7 C6 H6A 106.5 . . ?
C7 C6 H6B 102.6 . . ?
C5A C6A H6AA 101.0 . . ?
C5A C6A H6AB 116.4 . . ?
C5A C6A C7A 103(3) . . ?
H6AA C6A H6AB 110.2 . . ?
C7A C6A H6AA 118.9 . . ?
C7A C6A H6AB 107.3 . . ?
C6 C7 H7A 112.4 . . ?
C6 C7 H7B 97.4 . . ?
H7A C7 H7B 108.2 . . ?
C8 C7 C6 118(4) . . ?
C8 C7 H7A 112.1 . . ?
C8 C7 H7B 107.6 . . ?
C6A C7A H7AA 113.3 . . ?
C6A C7A H7AB 108.7 . . ?
H7AA C7A H7AB 111.2 . . ?
C8A C7A C6A 95(2) . . ?
C8A C7A H7AA 116.6 . . ?
C8A C7A H7AB 110.7 . . ?
C7 C8 H8A 108.4 . . ?
C7 C8 H8B 107.6 . . ?
C7 C8 H8C 112.2 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.7 . . ?
C7A C8A H8AA 110.2 . . ?
C7A C8A H8AB 106.3 . . ?
C7A C8A H8AC 112.0 . . ?
H8AA C8A H8AB 109.2 . . ?
H8AA C8A H8AC 109.4 . . ?
H8AB C8A H8AC 109.7 . . ?
N3 C9 H9A 109.4 . . ?
N3 C9 H9B 109.5 . . ?
N3 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N3 C10 H10 126.5 . . ?
N3 C10 C11 104.0(18) . . ?
C11 C10 H10 129.4 . . ?
N4 C11 C10 108(2) . . ?
N4 C11 H11 125.8 . . ?
C10 C11 H11 125.8 . . ?
N3 C12 Se2 132.0(13) . . ?
N3 C12 N4 106.9(15) . . ?
N4 C12 Se2 121.0(13) . . ?
N4 C13 H13A 111.0 . . ?
N4 C13 H13B 112.5 . . ?
N4 C13 C14 101(3) . . ?
H13A C13 H13B 110.0 . . ?
C14 C13 H13A 113.3 . . ?
C14 C13 H13B 109.0 . . ?
N4 C13A H13C 114.5 . . ?
N4 C13A H13D 108.5 . . ?
N4 C13A C14A 100(2) . . ?
H13C C13A H13D 109.4 . . ?
C14A C13A H13C 117.4 . . ?
C14A C13A H13D 106.5 . . ?
C13 C14 H14A 112.7 . . ?
C13 C14 H14B 107.9 . . ?
C13 C14 C15 99.0(8) . . ?
H14A C14 H14B 109.3 . . ?
C15 C14 H14A 117.1 . . ?
C15 C14 H14B 110.3 . . ?
C13A C14A H14C 117.4 . . ?
C13A C14A H14D 106.4 . . ?
C13A C14A C15A 98.6(8) . . ?
H14C C14A H14D 109.6 . . ?
C15A C14A H14C 114.1 . . ?
C15A C14A H14D 110.0 . . ?
C14 C15 H15A 112.0 . . ?
C14 C15 H15B 111.9 . . ?
H15A C15 H15B 109.7 . . ?
C16 C15 C14 99.0(8) . . ?
C16 C15 H15A 112.0 . . ?
C16 C15 H15B 112.0 . . ?
C14A C15A H15C 114.1 . . ?
C14A C15A H15D 110.0 . . ?
H15C C15A H15D 109.6 . . ?
C16A C15A C14A 98.7(8) . . ?
C16A C15A H15C 108.5 . . ?
C16A C15A H15D 115.6 . . ?
C15 C16 H16A 108.9 . . ?
C15 C16 H16B 106.5 . . ?
C15 C16 H16C 112.9 . . ?
C16 C16 C15 105(5) 3_647 . ?
C16 C16 H16A 69.8 3_647 . ?
C16 C16 H16B 42.9 3_647 . ?
C16 C16 H16C 139.4 3_647 . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15A C16A H16D 110.6 . . ?
C15A C16A H16E 110.5 . . ?
C15A C16A H16F 110.6 . . ?
H16D C16A H16E 108.4 . . ?
H16D C16A H16F 108.3 . . ?
H16E C16A H16F 108.4 . . ?

_olex2_submission_special_instructions 'No special instructions were received'

_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: methanol'
