# Electronic Supplementary Material (ESI) for Chemical Science.
# 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_4b
_database_code_depnum_ccdc_archive 'CCDC 2000400'
loop_
_audit_author_name
_audit_author_address
'Dongwook Kim'
;Institute for Basic Science
South Korea
;
_audit_update_record             
;
2020-07-23 deposited with the CCDC.	2020-10-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C23 H40 Cl O2 P Pd'
_chemical_formula_weight         521.37

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'
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'
Cl Cl 0.1484 0.1585 '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'

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

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   9.7932(5)
_cell_length_b                   13.0955(6)
_cell_length_c                   19.8473(10)
_cell_angle_alpha                90
_cell_angle_beta                 93.9044(18)
_cell_angle_gamma                90
_cell_volume                     2539.4(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9988
_cell_measurement_theta_min      2.60
_cell_measurement_theta_max      27.08

_exptl_crystal_description       rod
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.364
_exptl_crystal_F_000             1088
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.157
_exptl_crystal_size_mid          0.112
_exptl_crystal_size_min          0.087
_exptl_absorpt_coefficient_mu    0.914
_shelx_estimated_absorpt_T_min   0.870
_shelx_estimated_absorpt_T_max   0.925
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.6665
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker Photon II'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            49846
_diffrn_reflns_av_unetI/netI     0.0244
_diffrn_reflns_av_R_equivalents  0.0589
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.601
_diffrn_reflns_theta_max         24.299
_diffrn_reflns_theta_full        24.299
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             4109
_reflns_number_gt                3912
_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       'Bruker APEXIII'
_computing_cell_refinement       'Bruker APEXIII'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    SHELXS
_computing_structure_refinement  SHELXL
_computing_molecular_graphics    ORTEP
_computing_publication_material  CIFTAB
_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)+(0.0378P)²+25.0533P] 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         4109
_refine_ls_number_parameters     265
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0629
_refine_ls_R_factor_gt           0.0604
_refine_ls_wR_factor_ref         0.1551
_refine_ls_wR_factor_gt          0.1539
_refine_ls_goodness_of_fit_ref   1.225
_refine_ls_restrained_S_all      1.225
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.50155(5) 0.33478(4) 0.41859(3) 0.02236(19) Uani 1 1 d . . . . .
P2 P 0.70733(18) 0.25240(14) 0.43129(9) 0.0248(4) Uani 1 1 d . . . . .
C3 C 0.7645(8) 0.1817(6) 0.5126(4) 0.0362(18) Uani 1 1 d . . . . .
C4 C 0.8871(8) 0.1079(7) 0.5052(5) 0.046(2) Uani 1 1 d . . . . .
H4A H 0.919996 0.082487 0.549812 0.069 Uiso 1 1 calc R U . . .
H4B H 0.961126 0.144392 0.484687 0.069 Uiso 1 1 calc R U . . .
H4C H 0.857259 0.050188 0.476335 0.069 Uiso 1 1 calc R U . . .
C5 C 0.8083(9) 0.2583(7) 0.5692(4) 0.043(2) Uani 1 1 d . . . . .
H5A H 0.826021 0.221494 0.611860 0.065 Uiso 1 1 calc R U . . .
H5B H 0.734904 0.308156 0.573872 0.065 Uiso 1 1 calc R U . . .
H5C H 0.891607 0.293826 0.557660 0.065 Uiso 1 1 calc R U . . .
C6 C 0.6450(9) 0.1192(7) 0.5379(5) 0.046(2) Uani 1 1 d . . . . .
H6A H 0.680214 0.070338 0.572167 0.068 Uiso 1 1 calc R U . . .
H6B H 0.598838 0.082203 0.499895 0.068 Uiso 1 1 calc R U . . .
H6C H 0.579724 0.165338 0.557598 0.068 Uiso 1 1 calc R U . . .
C7 C 0.8368(7) 0.3581(6) 0.4168(4) 0.0319(17) Uani 1 1 d . . . . .
C8 C 0.8161(8) 0.3968(7) 0.3439(4) 0.0381(19) Uani 1 1 d . . . . .
H8A H 0.873152 0.457276 0.338333 0.057 Uiso 1 1 calc R U . . .
H8B H 0.719639 0.414680 0.333938 0.057 Uiso 1 1 calc R U . . .
H8C H 0.842162 0.343142 0.312845 0.057 Uiso 1 1 calc R U . . .
C9 C 0.9885(7) 0.3269(7) 0.4303(4) 0.042(2) Uani 1 1 d . . . . .
H9A H 1.047503 0.384007 0.419056 0.062 Uiso 1 1 calc R U . . .
H9B H 1.008021 0.267758 0.402221 0.062 Uiso 1 1 calc R U . . .
H9C H 1.006129 0.309100 0.478030 0.062 Uiso 1 1 calc R U . . .
C10 C 0.8058(8) 0.4486(6) 0.4624(4) 0.039(2) Uani 1 1 d . . . . .
H10A H 0.868109 0.505102 0.454066 0.058 Uiso 1 1 calc R U . . .
H10B H 0.818291 0.427757 0.509801 0.058 Uiso 1 1 calc R U . . .
H10C H 0.711022 0.470909 0.452323 0.058 Uiso 1 1 calc R U . . .
C11 C 0.7046(8) 0.1547(7) 0.3588(4) 0.041(2) Uani 1 1 d . . . . .
C12 C 0.6203(9) 0.1979(8) 0.2979(4) 0.050(2) Uani 1 1 d . . . . .
H12A H 0.623235 0.150511 0.259805 0.075 Uiso 1 1 calc R U . . .
H12B H 0.658174 0.264010 0.285422 0.075 Uiso 1 1 calc R U . . .
H12C H 0.525220 0.206991 0.309281 0.075 Uiso 1 1 calc R U . . .
C13 C 0.8475(9) 0.1267(8) 0.3356(5) 0.056(3) Uani 1 1 d . . . . .
H13A H 0.837980 0.073761 0.300728 0.084 Uiso 1 1 calc R U . . .
H13B H 0.905164 0.101104 0.374275 0.084 Uiso 1 1 calc R U . . .
H13C H 0.889960 0.187475 0.317215 0.084 Uiso 1 1 calc R U . . .
C14 C 0.6326(9) 0.0568(7) 0.3790(6) 0.052(2) Uani 1 1 d . . . . .
H14A H 0.620484 0.011446 0.339783 0.078 Uiso 1 1 calc R U . . .
H14B H 0.542912 0.073898 0.395015 0.078 Uiso 1 1 calc R U . . .
H14C H 0.688248 0.022471 0.415106 0.078 Uiso 1 1 calc R U . . .
O15 O 0.4822(5) 0.4010(5) 0.3157(3) 0.0370(13) Uani 1 1 d . . . . .
O16 O 0.3202(5) 0.4163(4) 0.3858(2) 0.0291(11) Uani 1 1 d . . . . .
C17 C 0.3608(7) 0.4272(6) 0.3273(4) 0.0288(17) Uani 1 1 d . . . . .
C18 C 0.2643(8) 0.4661(6) 0.2701(4) 0.0344(18) Uani 1 1 d . . . . .
C19 C 0.3409(10) 0.5044(9) 0.2114(4) 0.061(3) Uani 1 1 d . . . . .
H19A H 0.275512 0.521517 0.173552 0.092 Uiso 1 1 calc R U . . .
H19B H 0.403398 0.451199 0.197481 0.092 Uiso 1 1 calc R U . . .
H19C H 0.393530 0.565465 0.225322 0.092 Uiso 1 1 calc R U . . .
C20 C 0.1726(9) 0.3758(8) 0.2489(4) 0.049(2) Uani 1 1 d . . . . .
H20A H 0.107831 0.396334 0.211560 0.074 Uiso 1 1 calc R U . . .
H20B H 0.121958 0.353764 0.287296 0.074 Uiso 1 1 calc R U . . .
H20C H 0.229095 0.319223 0.234323 0.074 Uiso 1 1 calc R U . . .
C21 C 0.1761(11) 0.5505(8) 0.2966(5) 0.063(3) Uani 1 1 d . . . . .
H21A H 0.105646 0.570106 0.261577 0.095 Uiso 1 1 calc R U . . .
H21B H 0.233504 0.609878 0.308899 0.095 Uiso 1 1 calc R U . . .
H21C H 0.132287 0.526110 0.336546 0.095 Uiso 1 1 calc R U . . .
C22 C 0.4395(7) 0.3050(5) 0.5088(3) 0.0236(15) Uani 1 1 d . . . . .
C23 C 0.4779(8) 0.3655(6) 0.5651(4) 0.0335(18) Uani 1 1 d . . . . .
H23 H 0.547421 0.415534 0.562145 0.040 Uiso 1 1 calc R U . . .
C24 C 0.4150(9) 0.3529(7) 0.6250(4) 0.044(2) Uani 1 1 d . . . . .
H24 H 0.442160 0.393827 0.663140 0.052 Uiso 1 1 calc R U . . .
C25 C 0.3133(10) 0.2811(8) 0.6294(4) 0.048(2) Uani 1 1 d . . . . .
H25 H 0.271533 0.272843 0.670875 0.058 Uiso 1 1 calc R U . . .
C26 C 0.2713(9) 0.2216(7) 0.5756(5) 0.046(2) Uani 1 1 d . . . . .
H26 H 0.200780 0.172384 0.579051 0.055 Uiso 1 1 calc R U . . .
C27 C 0.3346(7) 0.2348(5) 0.5154(4) 0.0283(16) Uani 1 1 d . . . . .
Cl28 Cl 0.2802(2) 0.15826(16) 0.44639(12) 0.0442(5) 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
Pd1 C22 1.968(7) . ?
Pd1 O16 2.136(5) . ?
Pd1 O15 2.215(5) . ?
Pd1 P2 2.2846(19) . ?
Pd1 C17 2.512(7) . ?
P2 C3 1.911(8) . ?
P2 C7 1.912(8) . ?
P2 C11 1.924(8) . ?
C3 C6 1.540(11) . ?
C3 C5 1.544(12) . ?
C3 C4 1.556(11) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C10 1.534(11) . ?
C7 C8 1.534(11) . ?
C7 C9 1.546(10) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.525(13) . ?
C11 C14 1.530(12) . ?
C11 C13 1.547(11) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
O15 C17 1.274(9) . ?
O16 C17 1.261(8) . ?
C17 C18 1.515(10) . ?
C18 C19 1.513(11) . ?
C18 C21 1.519(13) . ?
C18 C20 1.527(12) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C27 1.391(10) . ?
C22 C23 1.400(10) . ?
C23 C24 1.387(11) . ?
C23 H23 0.9500 . ?
C24 C25 1.376(13) . ?
C24 H24 0.9500 . ?
C25 C26 1.363(13) . ?
C25 H25 0.9500 . ?
C26 C27 1.395(11) . ?
C26 H26 0.9500 . ?
C27 Cl28 1.751(8) . ?

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
C22 Pd1 O16 94.3(2) . . ?
C22 Pd1 O15 154.7(2) . . ?
O16 Pd1 O15 60.42(18) . . ?
C22 Pd1 P2 97.50(19) . . ?
O16 Pd1 P2 168.19(14) . . ?
O15 Pd1 P2 107.82(14) . . ?
C22 Pd1 C17 124.3(3) . . ?
O16 Pd1 C17 30.1(2) . . ?
O15 Pd1 C17 30.4(2) . . ?
P2 Pd1 C17 138.06(18) . . ?
C3 P2 C7 108.5(4) . . ?
C3 P2 C11 107.3(4) . . ?
C7 P2 C11 110.2(4) . . ?
C3 P2 Pd1 121.8(2) . . ?
C7 P2 Pd1 103.3(2) . . ?
C11 P2 Pd1 105.3(3) . . ?
C6 C3 C5 106.7(7) . . ?
C6 C3 C4 108.0(6) . . ?
C5 C3 C4 107.2(7) . . ?
C6 C3 P2 110.3(6) . . ?
C5 C3 P2 110.5(5) . . ?
C4 C3 P2 113.9(6) . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C3 C5 H5A 109.5 . . ?
C3 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C3 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C3 C6 H6A 109.5 . . ?
C3 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C3 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C10 C7 C8 106.4(7) . . ?
C10 C7 C9 109.3(7) . . ?
C8 C7 C9 108.3(6) . . ?
C10 C7 P2 108.1(5) . . ?
C8 C7 P2 109.5(5) . . ?
C9 C7 P2 115.0(5) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 C14 106.5(7) . . ?
C12 C11 C13 107.7(7) . . ?
C14 C11 C13 108.8(8) . . ?
C12 C11 P2 109.0(6) . . ?
C14 C11 P2 110.1(6) . . ?
C13 C11 P2 114.4(6) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C17 O15 Pd1 87.8(4) . . ?
C17 O16 Pd1 91.7(4) . . ?
O16 C17 O15 119.5(6) . . ?
O16 C17 C18 120.6(6) . . ?
O15 C17 C18 119.8(6) . . ?
O16 C17 Pd1 58.2(3) . . ?
O15 C17 Pd1 61.8(4) . . ?
C18 C17 Pd1 170.5(6) . . ?
C19 C18 C17 111.8(7) . . ?
C19 C18 C21 110.4(8) . . ?
C17 C18 C21 109.0(7) . . ?
C19 C18 C20 111.0(7) . . ?
C17 C18 C20 105.7(7) . . ?
C21 C18 C20 108.8(7) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C18 C21 H21A 109.5 . . ?
C18 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C18 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C27 C22 C23 117.3(7) . . ?
C27 C22 Pd1 119.5(5) . . ?
C23 C22 Pd1 122.1(6) . . ?
C24 C23 C22 120.5(8) . . ?
C24 C23 H23 119.8 . . ?
C22 C23 H23 119.8 . . ?
C25 C24 C23 120.0(8) . . ?
C25 C24 H24 120.0 . . ?
C23 C24 H24 120.0 . . ?
C26 C25 C24 121.5(8) . . ?
C26 C25 H25 119.2 . . ?
C24 C25 H25 119.2 . . ?
C25 C26 C27 118.2(8) . . ?
C25 C26 H26 120.9 . . ?
C27 C26 H26 120.9 . . ?
C22 C27 C26 122.5(7) . . ?
C22 C27 Cl28 119.5(6) . . ?
C26 C27 Cl28 118.0(6) . . ?

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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pd1 O16 C17 O15 -7.9(7) . . . . ?
Pd1 O16 C17 C18 169.0(7) . . . . ?
Pd1 O15 C17 O16 7.6(7) . . . . ?
Pd1 O15 C17 C18 -169.3(7) . . . . ?
O16 C17 C18 C19 162.2(8) . . . . ?
O15 C17 C18 C19 -20.9(11) . . . . ?
O16 C17 C18 C21 39.9(10) . . . . ?
O15 C17 C18 C21 -143.2(8) . . . . ?
O16 C17 C18 C20 -76.8(9) . . . . ?
O15 C17 C18 C20 100.1(8) . . . . ?
C27 C22 C23 C24 1.7(11) . . . . ?
Pd1 C22 C23 C24 169.3(6) . . . . ?
C22 C23 C24 C25 -0.5(12) . . . . ?
C23 C24 C25 C26 -0.4(13) . . . . ?
C24 C25 C26 C27 0.2(13) . . . . ?
C23 C22 C27 C26 -1.9(11) . . . . ?
Pd1 C22 C27 C26 -169.9(6) . . . . ?
C23 C22 C27 Cl28 179.0(5) . . . . ?
Pd1 C22 C27 Cl28 11.1(8) . . . . ?
C25 C26 C27 C22 1.0(12) . . . . ?
C25 C26 C27 Cl28 -180.0(7) . . . . ?

_refine_diff_density_max         0.913
_refine_diff_density_min         -2.224
_refine_diff_density_rms         0.114

