# Electronic Supplementary Material (ESI) for Nanoscale Advances.
# 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_xu-128
_database_code_depnum_ccdc_archive 'CCDC 1835461'
loop_
_audit_author_name
_audit_author_address
'weidong fan'
;China University of Petroleum
China
;
_audit_update_record             
;
2018-04-08 deposited with the CCDC.	2019-12-30 downloaded from the CCDC.
;
_audit_creation_date             2018-04-08
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C30 H22 Ce N4 O15 Pd2, H2 O, C'
_chemical_formula_sum            'C30 H26 Ce N4 O17 Pd2'
_chemical_formula_weight         1067.47
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H O N Pd Ce'
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'
Ce Ce -0.2486 2.6331 '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'
Pd Pd -0.9988 1.0072 '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      triclinic
_space_group_IT_number           2
_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                   10.4340(6)
_cell_length_b                   12.4622(7)
_cell_length_c                   14.1273(8)
_cell_angle_alpha                93.984(5)
_cell_angle_beta                 95.627(5)
_cell_angle_gamma                114.527(5)
_cell_volume                     1650.81(17)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    6370
_cell_measurement_temperature    293.8(5)
_cell_measurement_theta_max      28.6090
_cell_measurement_theta_min      3.5770
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.521
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.95169
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_density_diffrn    2.148
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             1040
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0298
_diffrn_reflns_av_unetI/netI     0.0472
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12222
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        24.996
_diffrn_reflns_theta_max         24.996
_diffrn_reflns_theta_min         2.919
_diffrn_ambient_temperature      293.8(5)
_diffrn_detector_area_resol_mean 16.0450
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   53.00   88.00   1.0000    9.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8251   57.0000 -150.0000 35

#__ type_ start__ end____ width___ exp.time_
  2 omega  -48.00   34.00   1.0000    9.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8251  -57.0000  -60.0000 82

#__ type_ start__ end____ width___ exp.time_
  3 omega  -50.00   38.00   1.0000    9.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8251  -57.0000   60.0000 88

#__ type_ start__ end____ width___ exp.time_
  4 omega   42.00   68.00   1.0000    9.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8251  178.0000  120.0000 26

#__ type_ start__ end____ width___ exp.time_
  5 omega  -20.00   56.00   1.0000    9.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8251  -99.0000 -180.0000 76

#__ type_ start__ end____ width___ exp.time_
  6 omega   52.00   97.00   1.0000    9.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8251  178.0000  -30.0000 45

#__ type_ start__ end____ width___ exp.time_
  7 omega  -20.00   25.00   1.0000    9.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.9813  -99.0000  -30.0000 45

#__ type_ start__ end____ width___ exp.time_
  8 omega   -3.00   47.00   1.0000    9.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8251   57.0000   90.0000 50
;
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0075529000
_diffrn_orient_matrix_UB_12      0.0455175000
_diffrn_orient_matrix_UB_13      0.0361169000
_diffrn_orient_matrix_UB_21      0.0395911000
_diffrn_orient_matrix_UB_22      -0.0200288000
_diffrn_orient_matrix_UB_23      0.0320927000
_diffrn_orient_matrix_UB_31      0.0637980000
_diffrn_orient_matrix_UB_32      0.0387262000
_diffrn_orient_matrix_UB_33      -0.0157857000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4902
_reflns_number_total             5809
_reflns_odcompleteness_completeness 99.82
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         1.507
_refine_diff_density_min         -0.801
_refine_diff_density_rms         0.133
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     483
_refine_ls_number_reflns         5809
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0453
_refine_ls_R_factor_gt           0.0355
_refine_ls_restrained_S_all      1.041
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0359P)²+5.7871P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0853
_refine_ls_wR_factor_ref         0.0924
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Restrained distances
 H3A-H15
 2.1 with sigma of 0.01
3.a Free rotating group:
 O1(H1A,H1B)
3.b Rotating group:
 O3(H3A,H3B)
3.c Aromatic/amide H refined with riding coordinates:
 C15(H15), C12(H12), C30(H30), C20(H20), C24(H24), C38(H38), C17(H17),
 C26(H26), C34(H34), C18(H18), C1(H1), C4(H4)
3.d X=CH2 refined with riding coordinates:
 C36(H36A,H36B)
3.e Idealised Me refined as rotating group:
 C32(H32A,H32B,H32C), C37(H37A,H37B,H37C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_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
Ce1 Ce 0.10276(3) 0.32893(3) 0.07060(2) 0.02149(10) Uani 1 1 d . . . . .
Pd2 Pd 0.74675(4) 0.04913(4) 0.24905(3) 0.01986(12) Uani 1 1 d . . . . .
Pd1 Pd 0.58460(5) 0.99986(4) 0.40829(3) 0.02371(13) Uani 1 1 d . . . . .
O2 O -0.1234(4) 0.3382(3) 0.0298(3) 0.0297(10) Uani 1 1 d . . . . .
O3 O -0.0767(4) 0.1091(3) 0.0072(3) 0.0305(10) Uani 1 1 d . . . . .
H3A H -0.1535 0.0832 0.0393 0.046 Uiso 1 1 d DGR . . . .
H3B H -0.0359 0.0575 0.0138 0.046 Uiso 1 1 d GR . . . .
O4 O -0.1808(5) 0.4679(4) -0.0433(4) 0.0450(13) Uani 1 1 d . . . . .
O5 O 0.2422(4) 0.2073(4) 0.0300(3) 0.0306(10) Uani 1 1 d . . . . .
O6 O 0.3714(4) 0.3778(3) 0.1210(3) 0.0324(10) Uani 1 1 d . . . . .
C15 C -0.3602(6) 0.1515(5) -0.0763(4) 0.0206(12) Uani 1 1 d . . . . .
H15 H -0.2878 0.1328 -0.0501 0.025 Uiso 1 1 calc DR . . . .
O9 O 0.7275(5) 1.1685(4) 0.4529(3) 0.0370(11) Uani 1 1 d . . . . .
O10 O 0.7289(5) 0.9407(4) 0.4557(3) 0.0376(11) Uani 1 1 d . . . . .
C36 C 0.1593(6) 0.2932(5) -0.2282(4) 0.0240(13) Uani 1 1 d . . . . .
H36A H 0.2462 0.3214 -0.2515 0.029 Uiso 1 1 calc R . . . .
H36B H 0.0767 0.2423 -0.2682 0.029 Uiso 1 1 calc R . . . .
O12 O 0.0940(5) 0.4220(4) 0.2232(3) 0.0448(12) Uani 1 1 d . . . . .
O13 O 0.1003(5) 0.2014(4) 0.2007(3) 0.0336(10) Uani 1 1 d . . . . .
O14 O -0.0011(4) 0.0067(4) 0.1498(3) 0.0355(11) Uani 1 1 d . . . . .
C11 C -0.2025(6) 0.3667(5) -0.0239(4) 0.0238(13) Uani 1 1 d . . . . .
N14 N 0.6484(5) 0.1380(4) 0.1819(3) 0.0204(10) Uani 1 1 d . . . . .
N13 N -0.5938(5) 0.0877(4) -0.1611(3) 0.0209(10) Uani 1 1 d . . . . .
O21 O 0.8292(5) 0.9492(4) 0.3160(3) 0.0450(12) Uani 1 1 d . . . . .
O22 O -0.0472(5) 0.4990(4) 0.2778(4) 0.0590(16) Uani 1 1 d . . . . .
N11 N 0.4270(5) 0.0444(4) 0.3604(3) 0.0230(11) Uani 1 1 d . . . . .
O24 O 0.2608(5) 0.3899(4) -0.0908(4) 0.0502(13) Uani 1 1 d . . . . .
O25 O 0.0383(5) 0.2807(4) -0.1136(3) 0.0438(12) Uani 1 1 d . . . . .
C10 C -0.3420(6) 0.2682(5) -0.0704(4) 0.0204(12) Uani 1 1 d . . . . .
C14 C -0.4869(6) 0.0631(5) -0.1216(4) 0.0188(12) Uani 1 1 d . . . . .
N12 N 0.4302(5) 0.8354(4) 0.3657(3) 0.0234(11) Uani 1 1 d . . . . .
C35 C 0.1537(6) 0.3224(5) -0.1466(4) 0.0253(13) Uani 1 1 d . . . . .
C16 C 0.5170(6) 0.0646(5) 0.1322(4) 0.0180(12) Uani 1 1 d . . . . .
O32 O 0.8791(5) 1.1911(4) 0.3405(3) 0.0411(12) Uani 1 1 d . . . . .
C22 C 0.2039(6) 0.0791(5) 0.2655(4) 0.0232(13) Uani 1 1 d . . . . .
C12 C -0.4530(6) 0.2932(5) -0.1079(4) 0.0261(13) Uani 1 1 d . . . . .
H12 H -0.4437 0.3709 -0.1030 0.031 Uiso 1 1 calc R . . . .
C28 C 0.3053(6) 0.8323(5) 0.3257(4) 0.0233(13) Uani 1 1 d . . . . .
C32 C 0.8878(8) 0.8493(7) 0.4432(5) 0.0457(18) Uani 1 1 d . . . . .
H32A H 0.9076 0.8689 0.5115 0.069 Uiso 1 1 calc GR . . . .
H32B H 0.9755 0.8699 0.4172 0.069 Uiso 1 1 calc GR . . . .
H32C H 0.8294 0.7656 0.4275 0.069 Uiso 1 1 calc GR . . . .
C30 C 0.3264(7) 0.6241(6) 0.3382(5) 0.0370(16) Uani 1 1 d . . . . .
H30 H 0.3373 0.5541 0.3420 0.044 Uiso 1 1 calc R . . . .
C20 C 0.4239(6) 0.1095(5) 0.0980(4) 0.0216(12) Uani 1 1 d . . . . .
H20 H 0.3348 0.0583 0.0656 0.026 Uiso 1 1 calc R . . . .
C37 C 0.9454(8) 1.3409(6) 0.4760(5) 0.0452(18) Uani 1 1 d . . . . .
H37A H 0.8990 1.3929 0.4811 0.068 Uiso 1 1 calc GR . . . .
H37B H 1.0280 1.3771 0.4446 0.068 Uiso 1 1 calc GR . . . .
H37C H 0.9736 1.3267 0.5389 0.068 Uiso 1 1 calc GR . . . .
C23 C 0.0913(6) 0.0977(5) 0.2012(4) 0.0270(14) Uani 1 1 d . . . . .
C19 C 0.4622(6) 0.2315(5) 0.1118(4) 0.0219(12) Uani 1 1 d . . . . .
C31 C 0.8105(6) 0.9179(5) 0.4010(4) 0.0284(14) Uani 1 1 d . . . . .
C24 C 0.3245(7) 0.1744(5) 0.3138(4) 0.0297(14) Uani 1 1 d . . . . .
H24 H 0.3309 0.2513 0.3156 0.036 Uiso 1 1 calc R . . . .
C33 C 0.3046(6) 0.9499(5) 0.3185(4) 0.0226(13) Uani 1 1 d . . . . .
C38 C -0.5785(6) 0.2004(5) -0.1530(4) 0.0292(14) Uani 1 1 d . . . . .
H38 H -0.6533 0.2168 -0.1780 0.035 Uiso 1 1 calc R . . . .
C17 C 0.6881(6) 0.2557(5) 0.1911(4) 0.0227(13) Uani 1 1 d . . . . .
H17 H 0.7790 0.3059 0.2213 0.027 Uiso 1 1 calc R . . . .
C26 C 0.1884(6) 0.7265(5) 0.2939(4) 0.0260(13) Uani 1 1 d . . . . .
H26 H 0.1024 0.7266 0.2696 0.031 Uiso 1 1 calc R . . . .
C34 C 0.1942(6) 0.9661(5) 0.2704(4) 0.0256(13) Uani 1 1 d . . . . .
H34 H 0.1129 0.9007 0.2412 0.031 Uiso 1 1 calc R . . . .
C27 C 0.1997(6) 0.6201(5) 0.2983(4) 0.0270(14) Uani 1 1 d . . . . .
C18 C 0.5990(6) 0.3048(5) 0.1574(4) 0.0245(13) Uani 1 1 d . . . . .
H18 H 0.6300 0.3869 0.1651 0.029 Uiso 1 1 calc R . . . .
C1 C 0.4353(6) 0.1543(5) 0.3594(4) 0.0276(14) Uani 1 1 d . . . . .
H1 H 0.5169 0.2186 0.3898 0.033 Uiso 1 1 calc R . . . .
C3 C 0.3519(6) 0.2757(5) 0.0846(4) 0.0248(13) Uani 1 1 d . . . . .
C4 C 0.4394(7) 0.7331(6) 0.3732(5) 0.0347(15) Uani 1 1 d . . . . .
H4 H 0.5237 0.7342 0.4026 0.042 Uiso 1 1 calc R . . . .
C8 C 0.0684(7) 0.5047(5) 0.2627(5) 0.0339(15) Uani 1 1 d . . . . .
C9 C 0.8450(6) 1.2252(5) 0.4187(4) 0.0280(14) Uani 1 1 d . . . . .
O1 O 0.4342(7) 0.4537(6) -0.2748(5) 0.0775(18) Uiso 1 1 d . . . . .
H1A H 0.4304 0.4450 -0.2158 0.116 Uiso 1 1 d G . . . .
H1B H 0.4972 0.5224 -0.2800 0.116 Uiso 1 1 d G . . . .
C0AA C 0.7103(12) 1.4564(10) 0.3965(8) 0.086(3) Uiso 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
Ce1 O2 2.425(4) . ?
Ce1 O3 2.624(4) . ?
Ce1 O4 2.389(4) 2_565 ?
Ce1 O5 2.572(4) . ?
Ce1 O6 2.621(4) . ?
Ce1 O12 2.404(4) . ?
Ce1 O13 2.507(4) . ?
Ce1 O24 2.903(5) . ?
Ce1 O25 2.586(5) . ?
Ce1 C3 2.930(6) . ?
Pd2 Pd1 2.8942(6) 1_545 ?
Pd2 N14 2.019(5) . ?
Pd2 N13 2.014(4) 2 ?
Pd2 O21 2.020(5) 1_545 ?
Pd2 O32 2.003(4) 1_545 ?
Pd1 Pd2 2.8942(6) 1_565 ?
Pd1 O9 2.017(4) . ?
Pd1 O10 2.013(4) . ?
Pd1 N11 2.015(5) 1_565 ?
Pd1 N12 2.014(5) . ?
O2 C11 1.241(7) . ?
O4 Ce1 2.389(4) 2_565 ?
O4 C11 1.241(7) . ?
O5 C3 1.248(7) . ?
O6 C3 1.264(7) . ?
C15 C10 1.382(8) . ?
C15 C14 1.377(7) . ?
O9 C9 1.295(7) . ?
O10 C31 1.305(7) . ?
C36 C35 1.199(8) . ?
O12 C8 1.274(8) . ?
O13 C23 1.257(7) . ?
O14 C23 1.258(7) . ?
C11 C10 1.507(7) . ?
N14 C16 1.375(7) . ?
N14 C17 1.342(7) . ?
N13 Pd2 2.014(4) 2 ?
N13 C14 1.355(7) . ?
N13 C38 1.341(7) . ?
O21 Pd2 2.020(5) 1_565 ?
O21 C31 1.296(7) . ?
O22 C8 1.220(8) . ?
N11 Pd1 2.015(5) 1_545 ?
N11 C33 1.368(7) 1_545 ?
N11 C1 1.338(7) . ?
O24 C35 1.238(7) . ?
O25 C35 1.249(7) . ?
C10 C12 1.386(8) . ?
C14 C16 1.482(8) 2 ?
N12 C28 1.353(7) . ?
N12 C4 1.329(8) . ?
C16 C14 1.482(8) 2 ?
C16 C20 1.374(8) . ?
O32 Pd2 2.003(4) 1_565 ?
O32 C9 1.290(7) . ?
C22 C23 1.518(8) . ?
C22 C24 1.392(8) . ?
C22 C34 1.378(8) 1_545 ?
C12 C38 1.391(8) . ?
C28 C33 1.479(8) . ?
C28 C26 1.380(8) . ?
C32 C31 1.512(9) . ?
C30 C27 1.364(9) . ?
C30 C4 1.393(9) . ?
C20 C19 1.396(8) . ?
C37 C9 1.499(8) . ?
C19 C18 1.394(8) . ?
C19 C3 1.498(8) . ?
C24 C1 1.390(9) . ?
C33 N11 1.368(7) 1_565 ?
C33 C34 1.374(8) . ?
C17 C18 1.375(8) . ?
C26 C27 1.384(8) . ?
C34 C22 1.378(8) 1_565 ?
C27 C8 1.525(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
O2 Ce1 O3 75.35(13) . . ?
O2 Ce1 O5 142.32(13) . . ?
O2 Ce1 O6 165.41(13) . . ?
O2 Ce1 O13 113.19(14) . . ?
O2 Ce1 O24 108.26(14) . . ?
O2 Ce1 O25 73.14(15) . . ?
O2 Ce1 C3 167.35(15) . . ?
O3 Ce1 O24 99.99(14) . . ?
O3 Ce1 C3 93.92(14) . . ?
O4 Ce1 O2 79.08(14) 2_565 . ?
O4 Ce1 O3 145.00(15) 2_565 . ?
O4 Ce1 O5 122.33(15) 2_565 . ?
O4 Ce1 O6 86.92(14) 2_565 . ?
O4 Ce1 O12 77.84(17) 2_565 . ?
O4 Ce1 O13 141.76(15) 2_565 . ?
O4 Ce1 O24 65.99(16) 2_565 . ?
O4 Ce1 O25 85.65(16) 2_565 . ?
O4 Ce1 C3 107.62(16) 2_565 . ?
O5 Ce1 O3 70.65(13) . . ?
O5 Ce1 O6 50.38(12) . . ?
O5 Ce1 O24 63.42(14) . . ?
O5 Ce1 O25 77.83(14) . . ?
O5 Ce1 C3 25.15(14) . . ?
O6 Ce1 O3 119.10(13) . . ?
O6 Ce1 O24 68.97(14) . . ?
O6 Ce1 C3 25.56(14) . . ?
O12 Ce1 O2 82.43(15) . . ?
O12 Ce1 O3 121.23(15) . . ?
O12 Ce1 O5 129.40(15) . . ?
O12 Ce1 O6 90.69(15) . . ?
O12 Ce1 O13 68.76(15) . . ?
O12 Ce1 O24 138.74(15) . . ?
O12 Ce1 O25 152.71(16) . . ?
O12 Ce1 C3 109.24(17) . . ?
O13 Ce1 O3 71.59(13) . . ?
O13 Ce1 O5 70.74(14) . . ?
O13 Ce1 O6 75.70(14) . . ?
O13 Ce1 O24 133.33(14) . . ?
O13 Ce1 O25 132.19(14) . . ?
O13 Ce1 C3 68.44(15) . . ?
O24 Ce1 C3 66.46(15) . . ?
O25 Ce1 O3 64.36(14) . . ?
O25 Ce1 O6 110.13(15) . . ?
O25 Ce1 O24 45.08(14) . . ?
O25 Ce1 C3 96.33(16) . . ?
N14 Pd2 Pd1 96.93(13) . 1_545 ?
N14 Pd2 O21 175.30(18) . 1_545 ?
N13 Pd2 Pd1 92.88(13) 2 1_545 ?
N13 Pd2 N14 80.87(18) 2 . ?
N13 Pd2 O21 95.40(19) 2 1_545 ?
O21 Pd2 Pd1 80.33(14) 1_545 1_545 ?
O32 Pd2 Pd1 82.38(13) 1_545 1_545 ?
O32 Pd2 N14 94.09(19) 1_545 . ?
O32 Pd2 N13 172.66(19) 1_545 2 ?
O32 Pd2 O21 89.35(19) 1_545 1_545 ?
O9 Pd1 Pd2 79.47(12) . 1_565 ?
O10 Pd1 Pd2 82.13(13) . 1_565 ?
O10 Pd1 O9 89.94(19) . . ?
O10 Pd1 N11 174.96(18) . 1_565 ?
O10 Pd1 N12 93.85(19) . . ?
N11 Pd1 Pd2 100.13(13) 1_565 1_565 ?
N11 Pd1 O9 94.89(19) 1_565 . ?
N12 Pd1 Pd2 103.21(13) . 1_565 ?
N12 Pd1 O9 175.62(19) . . ?
N12 Pd1 N11 81.27(19) . 1_565 ?
C11 O2 Ce1 150.2(4) . . ?
C11 O4 Ce1 171.4(4) . 2_565 ?
C3 O5 Ce1 93.7(3) . . ?
C3 O6 Ce1 91.0(3) . . ?
C14 C15 C10 119.2(5) . . ?
C9 O9 Pd1 126.0(4) . . ?
C31 O10 Pd1 123.3(4) . . ?
C8 O12 Ce1 143.2(4) . . ?
C23 O13 Ce1 133.7(4) . . ?
O2 C11 O4 127.3(5) . . ?
O2 C11 C10 117.0(5) . . ?
O4 C11 C10 115.7(5) . . ?
C16 N14 Pd2 113.3(4) . . ?
C17 N14 Pd2 127.6(4) . . ?
C17 N14 C16 118.5(5) . . ?
C14 N13 Pd2 113.8(3) . 2 ?
C38 N13 Pd2 125.7(4) . 2 ?
C38 N13 C14 119.4(5) . . ?
C31 O21 Pd2 125.9(4) . 1_565 ?
C33 N11 Pd1 114.1(4) 1_545 1_545 ?
C1 N11 Pd1 126.7(4) . 1_545 ?
C1 N11 C33 119.0(5) . 1_545 ?
C35 O24 Ce1 90.5(4) . . ?
C35 O25 Ce1 105.9(4) . . ?
C15 C10 C11 120.1(5) . . ?
C15 C10 C12 119.2(5) . . ?
C12 C10 C11 120.8(5) . . ?
C15 C14 C16 123.5(5) . 2 ?
N13 C14 C15 121.7(5) . . ?
N13 C14 C16 114.8(5) . 2 ?
C28 N12 Pd1 114.7(4) . . ?
C4 N12 Pd1 127.0(4) . . ?
C4 N12 C28 118.4(5) . . ?
C36 C35 O24 122.3(6) . . ?
C36 C35 O25 120.3(6) . . ?
O24 C35 O25 117.3(6) . . ?
N14 C16 C14 114.3(5) . 2 ?
C20 C16 N14 121.1(5) . . ?
C20 C16 C14 124.7(5) . 2 ?
C9 O32 Pd2 123.5(4) . 1_565 ?
C24 C22 C23 121.7(5) . . ?
C34 C22 C23 119.8(5) 1_545 . ?
C34 C22 C24 118.3(6) 1_545 . ?
C10 C12 C38 119.2(5) . . ?
N12 C28 C33 115.0(5) . . ?
N12 C28 C26 121.8(5) . . ?
C26 C28 C33 123.2(5) . . ?
C27 C30 C4 120.0(6) . . ?
C16 C20 C19 120.4(5) . . ?
O13 C23 O14 125.5(6) . . ?
O13 C23 C22 118.3(5) . . ?
O14 C23 C22 116.1(5) . . ?
C20 C19 C3 118.8(5) . . ?
C18 C19 C20 117.5(5) . . ?
C18 C19 C3 123.4(5) . . ?
O10 C31 C32 115.3(6) . . ?
O21 C31 O10 125.5(6) . . ?
O21 C31 C32 119.2(6) . . ?
C1 C24 C22 119.7(6) . . ?
N11 C33 C28 114.7(5) 1_565 . ?
N11 C33 C34 121.4(5) 1_565 . ?
C34 C33 C28 123.8(5) . . ?
N13 C38 C12 121.3(6) . . ?
N14 C17 C18 122.4(5) . . ?
C28 C26 C27 119.7(6) . . ?
C33 C34 C22 120.0(5) . 1_565 ?
C30 C27 C26 118.0(6) . . ?
C30 C27 C8 123.5(6) . . ?
C26 C27 C8 118.4(6) . . ?
C17 C18 C19 119.9(5) . . ?
N11 C1 C24 121.3(5) . . ?
O5 C3 Ce1 61.2(3) . . ?
O5 C3 O6 123.3(5) . . ?
O5 C3 C19 117.9(5) . . ?
O6 C3 Ce1 63.4(3) . . ?
O6 C3 C19 118.7(5) . . ?
C19 C3 Ce1 165.5(4) . . ?
N12 C4 C30 121.9(6) . . ?
O12 C8 C27 114.9(6) . . ?
O22 C8 O12 127.0(6) . . ?
O22 C8 C27 118.1(6) . . ?
O9 C9 C37 115.4(6) . . ?
O32 C9 O9 125.5(5) . . ?
O32 C9 C37 119.1(6) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
