# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_SCO5F1centro_a
_database_code_depnum_ccdc_archive 'CCDC 1864670'
_audit_update_record             
;
2018-08-30 deposited with the CCDC.
2018-10-24 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C48 H52 Cl2 N8 O8 Pd, 2(C2 H3 N)'
_chemical_formula_sum            'C52 H58 Cl2 N10 O8 Pd'
_chemical_formula_weight         1128.38

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd 0.1215 3.9337 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.6996(3)
_cell_length_b                   11.6143(4)
_cell_length_c                   11.6936(4)
_cell_angle_alpha                73.8340(8)
_cell_angle_beta                 68.4900(8)
_cell_angle_gamma                74.6210(9)
_cell_volume                     1276.66(7)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9548
_cell_measurement_theta_min      4.03
_cell_measurement_theta_max      72.40

_exptl_crystal_description       block
_exptl_crystal_colour            gold
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.468
_exptl_crystal_F_000             584
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.289
_exptl_crystal_size_mid          0.086
_exptl_crystal_size_min          0.066
_exptl_absorpt_coefficient_mu    4.430
_shelx_estimated_absorpt_T_min   0.361
_shelx_estimated_absorpt_T_max   0.759
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6150
_exptl_absorpt_correction_T_max  0.7536
_exptl_absorpt_process_details   Bruker-SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   micro_source_ImuS
_diffrn_measurement_device_type  Bruker_D8QUEST_KAPPA_PHOTON100
_diffrn_measurement_method       OMEGA_and_PHI_SCANS
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            21146
_diffrn_reflns_av_unetI/netI     0.0141
_diffrn_reflns_av_R_equivalents  0.0181
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         4.031
_diffrn_reflns_theta_max         72.473
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             5026
_reflns_number_gt                5013
_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       'SAINT V8.30C'
_computing_cell_refinement       'SAINT V8.30C'
_computing_data_reduction        'SAINT V8.30C'
_computing_structure_solution    SHELXLS
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  BRUKER_SHELXTL

_refine_special_details          
;
The residual electron density (0.8 to 0.5) indicate that there 
is still a small amount of incorporated solvent molecules that 
could not be modeled.
;




_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0454P)²+1.2422P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5026
_refine_ls_number_parameters     340
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0300
_refine_ls_R_factor_gt           0.0299
_refine_ls_wR_factor_ref         0.0791
_refine_ls_wR_factor_gt          0.0790
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_restrained_S_all      1.051
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.5670(2) 0.96216(18) -0.26796(18) 0.0223(4) Uani 1 1 d . . . . .
H1 H 0.6044 1.0341 -0.3092 0.027 Uiso 1 1 calc R U . . .
C2 C 0.5638(2) 0.91191(18) -0.14514(19) 0.0228(4) Uani 1 1 d . . . . .
H2 H 0.5990 0.9485 -0.1030 0.027 Uiso 1 1 calc R U . . .
C3 C 0.5083(2) 0.80722(18) -0.08444(18) 0.0214(4) Uani 1 1 d . . . . .
C4 C 0.4641(2) 0.75288(19) -0.15134(19) 0.0239(4) Uani 1 1 d . . . . .
H4 H 0.4295 0.6792 -0.1132 0.029 Uiso 1 1 calc R U . . .
C5 C 0.4712(2) 0.80766(19) -0.27387(19) 0.0240(4) Uani 1 1 d . . . . .
H5 H 0.4415 0.7703 -0.3196 0.029 Uiso 1 1 calc R U . . .
C6 C 0.4188(2) 0.62932(18) 0.22322(18) 0.0212(4) Uani 1 1 d . . . . .
C7 C 0.4250(2) 0.6960(2) 0.30281(19) 0.0271(4) Uani 1 1 d . . . . .
H7 H 0.4577 0.7708 0.2683 0.033 Uiso 1 1 calc R U . . .
C8 C 0.3842(2) 0.6544(2) 0.4313(2) 0.0289(5) Uani 1 1 d . . . . .
H8 H 0.3884 0.7008 0.4848 0.035 Uiso 1 1 calc R U . . .
C9 C 0.3366(2) 0.54389(18) 0.48276(18) 0.0219(4) Uani 1 1 d . . . . .
C10 C 0.3330(2) 0.47611(19) 0.4027(2) 0.0273(4) Uani 1 1 d . . . . .
H10 H 0.3027 0.4002 0.4367 0.033 Uiso 1 1 calc R U . . .
C11 C 0.3734(2) 0.51888(19) 0.27446(19) 0.0267(4) Uani 1 1 d . . . . .
H11 H 0.3700 0.4724 0.2208 0.035(7) Uiso 1 1 calc R . . . .
C12 C 0.2767(2) 0.54886(18) 0.70860(18) 0.0218(4) Uani 1 1 d . . . . .
C13 C 0.2292(2) 0.47549(18) 0.83916(18) 0.0211(4) Uani 1 1 d . . . . .
C14 C 0.1903(2) 0.54054(19) 0.93425(18) 0.0221(4) Uani 1 1 d . . . . .
H14 H 0.1987 0.6238 0.9139 0.027 Uiso 1 1 calc R U . . .
C15 C 0.1393(2) 0.48332(19) 1.05906(18) 0.0223(4) Uani 1 1 d . . . . .
C16 C 0.1272(2) 0.36059(19) 1.08926(18) 0.0224(4) Uani 1 1 d . . . . .
C17 C 0.1697(2) 0.29542(18) 0.99322(18) 0.0219(4) Uani 1 1 d . . . . .
C18 C 0.2206(2) 0.35269(18) 0.86781(18) 0.0221(4) Uani 1 1 d . . . . .
H18 H 0.2492 0.3082 0.8028 0.027 Uiso 1 1 calc R U . . .
C19 C 0.1069(2) 0.66516(18) 1.13238(19) 0.0241(4) Uani 1 1 d . . . . .
H19A H 0.0554 0.7152 1.0747 0.029 Uiso 1 1 calc R U . . .
H19B H 0.2039 0.6741 1.0929 0.029 Uiso 1 1 calc R U . . .
C20 C 0.0482(2) 0.7049(2) 1.2569(2) 0.0299(5) Uani 1 1 d . . . . .
H20A H -0.0489 0.6996 1.2927 0.045 Uiso 1 1 calc R U . . .
H20B H 0.0587 0.7893 1.2445 0.045 Uiso 1 1 calc R U . . .
H20C H 0.0969 0.6517 1.3145 0.045 Uiso 1 1 calc R U . . .
C21 C 0.1374(2) 0.2863(2) 1.29838(19) 0.0269(4) Uani 1 1 d . . . . .
H21A H 0.2059 0.3402 1.2656 0.032 Uiso 1 1 calc R U . . .
H21B H 0.1859 0.2007 1.3105 0.032 Uiso 1 1 calc R U . . .
C22 C 0.0378(3) 0.3130(3) 1.4207(2) 0.0419(6) Uani 1 1 d . . . . .
H22A H -0.0017 0.4002 1.4103 0.063 Uiso 1 1 calc R U . . .
H22B H 0.0850 0.2909 1.4836 0.063 Uiso 1 1 calc R U . . .
H22C H -0.0351 0.2656 1.4485 0.063 Uiso 1 1 calc R U . . .
C23 C 0.2059(2) 0.10215(19) 0.93912(19) 0.0255(4) Uani 1 1 d . . . . .
H23A H 0.3048 0.1011 0.8960 0.031 Uiso 1 1 calc R U . . .
H23B H 0.1576 0.1345 0.8757 0.031 Uiso 1 1 calc R U . . .
C24 C 0.1804(2) -0.0244(2) 1.0076(2) 0.0294(5) Uani 1 1 d . . . . .
H24A H 0.2340 -0.0574 1.0657 0.044 Uiso 1 1 calc R U . . .
H24B H 0.2076 -0.0771 0.9469 0.044 Uiso 1 1 calc R U . . .
H24C H 0.0830 -0.0210 1.0549 0.044 Uiso 1 1 calc R U . . .
C25 C 0.1016(3) 0.9295(3) 0.6712(3) 0.0525(7) Uani 1 1 d . . . . .
H25A H 0.1499 0.8842 0.6034 0.079 Uiso 1 1 calc R U . . .
H25B H 0.0899 0.8727 0.7524 0.079 Uiso 1 1 calc R U . . .
H25C H 0.1548 0.9891 0.6652 0.079 Uiso 1 1 calc R U . . .
C26 C -0.0313(3) 0.9925(3) 0.6603(3) 0.0447(6) Uani 1 1 d . . . . .
N26 N -0.1313(2) 1.0407(2) 0.6503(2) 0.0383(5) Uani 1 1 d . . . . .
Cl1 Cl 0.35572(6) 1.16046(4) -0.41043(4) 0.02931(12) Uani 1 1 d . . . . .
N1 N 0.51907(17) 0.91262(15) -0.33085(15) 0.0210(3) Uani 1 1 d . . . . .
N2 N 0.49172(18) 0.76760(16) 0.04692(15) 0.0226(3) Uani 1 1 d . . . . .
N3 N 0.45085(17) 0.66718(15) 0.09174(15) 0.0222(3) Uani 1 1 d . . . . .
N4 N 0.29309(19) 0.49525(16) 0.61206(16) 0.0245(4) Uani 1 1 d . . . . .
H4A H 0.278(3) 0.422(3) 0.629(3) 0.034(7) Uiso 1 1 d . . . . .
O1 O 0.29776(17) 0.65158(14) 0.69059(13) 0.0298(3) Uani 1 1 d . . . . .
O2 O 0.09487(16) 0.53941(13) 1.15853(13) 0.0251(3) Uani 1 1 d . . . . .
O3 O 0.06503(16) 0.30618(14) 1.20997(13) 0.0270(3) Uani 1 1 d . . . . .
O4 O 0.15473(16) 0.17598(13) 1.03240(13) 0.0254(3) Uani 1 1 d . . . . .
Pd1 Pd 0.5000 1.0000 -0.5000 0.01915(7) Uani 1 2 d S . P . .


_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
C1 N1 1.343(3) . ?
C1 C2 1.383(3) . ?
C1 H1 0.9500 . ?
C2 C3 1.388(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.393(3) . ?
C3 N2 1.433(2) . ?
C4 C5 1.379(3) . ?
C4 H4 0.9500 . ?
C5 N1 1.349(3) . ?
C5 H5 0.9500 . ?
C6 C11 1.389(3) . ?
C6 C7 1.394(3) . ?
C6 N3 1.411(2) . ?
C7 C8 1.382(3) . ?
C7 H7 0.9500 . ?
C8 C9 1.401(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.396(3) . ?
C9 N4 1.403(2) . ?
C10 C11 1.381(3) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C12 O1 1.219(3) . ?
C12 N4 1.371(3) . ?
C12 C13 1.501(3) . ?
C13 C18 1.391(3) . ?
C13 C14 1.394(3) . ?
C14 C15 1.392(3) . ?
C14 H14 0.9500 . ?
C15 O2 1.362(2) . ?
C15 C16 1.399(3) . ?
C16 O3 1.368(2) . ?
C16 C17 1.399(3) . ?
C17 O4 1.367(2) . ?
C17 C18 1.398(3) . ?
C18 H18 0.9500 . ?
C19 O2 1.437(2) . ?
C19 C20 1.510(3) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 O3 1.442(3) . ?
C21 C22 1.494(3) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 O4 1.435(2) . ?
C23 C24 1.508(3) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.450(4) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 N26 1.100(4) . ?
Cl1 Pd1 2.3083(5) . ?
N1 Pd1 2.0131(16) . ?
N2 N3 1.260(2) . ?
N4 H4A 0.86(3) . ?
Pd1 N1 2.0131(16) 2_674 ?
Pd1 Cl1 2.3084(5) 2_674 ?

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
N1 C1 C2 122.20(18) . . ?
N1 C1 H1 118.9 . . ?
C2 C1 H1 118.9 . . ?
C1 C2 C3 118.96(19) . . ?
C1 C2 H2 120.5 . . ?
C3 C2 H2 120.5 . . ?
C2 C3 C4 118.82(18) . . ?
C2 C3 N2 116.70(18) . . ?
C4 C3 N2 124.32(19) . . ?
C5 C4 C3 118.97(19) . . ?
C5 C4 H4 120.5 . . ?
C3 C4 H4 120.5 . . ?
N1 C5 C4 122.10(19) . . ?
N1 C5 H5 118.9 . . ?
C4 C5 H5 118.9 . . ?
C11 C6 C7 119.20(18) . . ?
C11 C6 N3 115.81(18) . . ?
C7 C6 N3 124.95(19) . . ?
C8 C7 C6 120.7(2) . . ?
C8 C7 H7 119.6 . . ?
C6 C7 H7 119.6 . . ?
C7 C8 C9 119.9(2) . . ?
C7 C8 H8 120.0 . . ?
C9 C8 H8 120.0 . . ?
C10 C9 C8 119.26(18) . . ?
C10 C9 N4 117.19(18) . . ?
C8 C9 N4 123.54(19) . . ?
C11 C10 C9 120.32(19) . . ?
C11 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
C10 C11 C6 120.58(19) . . ?
C10 C11 H11 119.7 . . ?
C6 C11 H11 119.7 . . ?
O1 C12 N4 122.26(18) . . ?
O1 C12 C13 120.99(18) . . ?
N4 C12 C13 116.74(18) . . ?
C18 C13 C14 120.62(18) . . ?
C18 C13 C12 124.65(18) . . ?
C14 C13 C12 114.72(18) . . ?
C15 C14 C13 119.92(19) . . ?
C15 C14 H14 120.0 . . ?
C13 C14 H14 120.0 . . ?
O2 C15 C14 124.57(19) . . ?
O2 C15 C16 115.25(17) . . ?
C14 C15 C16 120.15(18) . . ?
O3 C16 C17 119.51(18) . . ?
O3 C16 C15 120.91(18) . . ?
C17 C16 C15 119.40(18) . . ?
O4 C17 C18 124.48(18) . . ?
O4 C17 C16 114.95(17) . . ?
C18 C17 C16 120.56(19) . . ?
C13 C18 C17 119.31(18) . . ?
C13 C18 H18 120.3 . . ?
C17 C18 H18 120.3 . . ?
O2 C19 C20 106.42(16) . . ?
O2 C19 H19A 110.4 . . ?
C20 C19 H19A 110.4 . . ?
O2 C19 H19B 110.4 . . ?
C20 C19 H19B 110.4 . . ?
H19A C19 H19B 108.6 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
O3 C21 C22 109.29(19) . . ?
O3 C21 H21A 109.8 . . ?
C22 C21 H21A 109.8 . . ?
O3 C21 H21B 109.8 . . ?
C22 C21 H21B 109.8 . . ?
H21A C21 H21B 108.3 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O4 C23 C24 106.40(16) . . ?
O4 C23 H23A 110.4 . . ?
C24 C23 H23A 110.4 . . ?
O4 C23 H23B 110.4 . . ?
C24 C23 H23B 110.4 . . ?
H23A C23 H23B 108.6 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 H25A 109.5 . . ?
C26 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C26 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
N26 C26 C25 179.0(3) . . ?
C1 N1 C5 118.82(17) . . ?
C1 N1 Pd1 121.30(13) . . ?
C5 N1 Pd1 119.59(14) . . ?
N3 N2 C3 112.17(17) . . ?
N2 N3 C6 114.94(17) . . ?
C12 N4 C9 127.85(18) . . ?
C12 N4 H4A 119.0(19) . . ?
C9 N4 H4A 113.1(19) . . ?
C15 O2 C19 117.31(15) . . ?
C16 O3 C21 116.41(16) . . ?
C17 O4 C23 117.47(15) . . ?
N1 Pd1 N1 180.0 2_674 . ?
N1 Pd1 Cl1 90.87(5) 2_674 . ?
N1 Pd1 Cl1 89.13(5) . . ?
N1 Pd1 Cl1 89.13(5) 2_674 2_674 ?
N1 Pd1 Cl1 90.87(5) . 2_674 ?
Cl1 Pd1 Cl1 180.0 . 2_674 ?

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
N1 C1 C2 C3 -0.5(3) . . . . ?
C1 C2 C3 C4 3.2(3) . . . . ?
C1 C2 C3 N2 -172.41(18) . . . . ?
C2 C3 C4 C5 -2.8(3) . . . . ?
N2 C3 C4 C5 172.45(19) . . . . ?
C3 C4 C5 N1 -0.4(3) . . . . ?
C11 C6 C7 C8 -1.2(3) . . . . ?
N3 C6 C7 C8 176.3(2) . . . . ?
C6 C7 C8 C9 0.3(4) . . . . ?
C7 C8 C9 C10 0.9(3) . . . . ?
C7 C8 C9 N4 -179.9(2) . . . . ?
C8 C9 C10 C11 -1.3(3) . . . . ?
N4 C9 C10 C11 179.5(2) . . . . ?
C9 C10 C11 C6 0.4(3) . . . . ?
C7 C6 C11 C10 0.9(3) . . . . ?
N3 C6 C11 C10 -176.9(2) . . . . ?
O1 C12 C13 C18 -170.8(2) . . . . ?
N4 C12 C13 C18 10.1(3) . . . . ?
O1 C12 C13 C14 10.2(3) . . . . ?
N4 C12 C13 C14 -168.95(18) . . . . ?
C18 C13 C14 C15 -1.6(3) . . . . ?
C12 C13 C14 C15 177.48(18) . . . . ?
C13 C14 C15 O2 -177.97(19) . . . . ?
C13 C14 C15 C16 0.1(3) . . . . ?
O2 C15 C16 O3 4.7(3) . . . . ?
C14 C15 C16 O3 -173.56(19) . . . . ?
O2 C15 C16 C17 179.75(18) . . . . ?
C14 C15 C16 C17 1.5(3) . . . . ?
O3 C16 C17 O4 -5.4(3) . . . . ?
C15 C16 C17 O4 179.43(18) . . . . ?
O3 C16 C17 C18 173.48(18) . . . . ?
C15 C16 C17 C18 -1.6(3) . . . . ?
C14 C13 C18 C17 1.4(3) . . . . ?
C12 C13 C18 C17 -177.53(19) . . . . ?
O4 C17 C18 C13 179.00(18) . . . . ?
C16 C17 C18 C13 0.2(3) . . . . ?
C2 C1 N1 C5 -2.7(3) . . . . ?
C2 C1 N1 Pd1 171.09(15) . . . . ?
C4 C5 N1 C1 3.1(3) . . . . ?
C4 C5 N1 Pd1 -170.78(16) . . . . ?
C2 C3 N2 N3 -174.84(17) . . . . ?
C4 C3 N2 N3 9.8(3) . . . . ?
C3 N2 N3 C6 -173.67(16) . . . . ?
C11 C6 N3 N2 179.92(18) . . . . ?
C7 C6 N3 N2 2.3(3) . . . . ?
O1 C12 N4 C9 1.2(3) . . . . ?
C13 C12 N4 C9 -179.71(19) . . . . ?
C10 C9 N4 C12 -174.2(2) . . . . ?
C8 C9 N4 C12 6.7(3) . . . . ?
C14 C15 O2 C19 -2.6(3) . . . . ?
C16 C15 O2 C19 179.24(18) . . . . ?
C20 C19 O2 C15 178.83(17) . . . . ?
C17 C16 O3 C21 115.1(2) . . . . ?
C15 C16 O3 C21 -69.8(3) . . . . ?
C22 C21 O3 C16 140.1(2) . . . . ?
C18 C17 O4 C23 5.6(3) . . . . ?
C16 C17 O4 C23 -175.50(18) . . . . ?
C24 C23 O4 C17 178.29(17) . . . . ?

_refine_diff_density_max         2.375
_refine_diff_density_min         -0.383
_refine_diff_density_rms         0.073

