#------------------------------------------------------------------------------
#$Date: 2021-09-06 15:40:22 +0300 (Mon, 06 Sep 2021) $
#$Revision: 268963 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/43/1564311.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1564311
loop_
_publ_author_name
'Dong, Jie'
'Wang, Baiquan'
_publ_section_title
;
 Homo- and copolymerization of norbornene using tridentate IzQO palladium
 catalysts with dimethylaminoethyl as a side arm
;
_journal_issue                   32
_journal_name_full               'Polymer Chemistry'
_journal_page_first              4736
_journal_page_last               4747
_journal_paper_doi               10.1039/D1PY00699A
_journal_volume                  12
_journal_year                    2021
_chemical_formula_sum            'C32 H34 Cl N3 O Pd'
_chemical_formula_weight         618.47
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-05-05 deposited with the CCDC.	2021-07-19 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 107.14(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.427(3)
_cell_length_b                   10.938(2)
_cell_length_c                   19.798(4)
_cell_measurement_reflns_used    7981
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.8904
_cell_measurement_theta_min      1.6342
_cell_volume                     2778.5(11)
_computing_cell_refinement       crystalclear
_computing_data_collection       crystalclear
_computing_data_reduction        crystalclear
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'rigaku saturn'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0548
_diffrn_reflns_av_unetI/netI     0.0390
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            32586
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.879
_diffrn_reflns_theta_min         1.634
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.794
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.8504
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   crystalclear
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.478
_exptl_crystal_description       prism
_exptl_crystal_F_000             1272
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.120
_refine_diff_density_max         1.204
_refine_diff_density_min         -0.963
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     349
_refine_ls_number_reflns         6620
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.0446
_refine_ls_R_factor_gt           0.0375
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0465P)²+0.9402P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0863
_refine_ls_wR_factor_ref         0.0908
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5738
_reflns_number_total             6620
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1py00699a2.cif
_cod_data_source_block           shelxl
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'MULTI-SCAN' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 1564310--1564312.cif.
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1564311
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_min   0.857
_shelx_estimated_absorpt_t_max   0.911
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'
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 0.65994(2) 1.05364(2) 1.05699(2) 0.01825(7) Uani 1 1 d . U . . .
Cl1 Cl 0.60474(5) 0.99145(6) 1.15572(3) 0.03147(15) Uani 1 1 d . . . . .
O1 O 0.72453(13) 0.89010(15) 1.05993(9) 0.0241(4) Uani 1 1 d . . . . .
N1 N 0.76580(15) 1.01829(18) 0.94682(10) 0.0185(4) Uani 1 1 d . . . . .
N2 N 0.66010(15) 1.17132(18) 0.92292(10) 0.0210(4) Uani 1 1 d . . . . .
N3 N 0.59528(15) 1.22856(18) 1.05745(10) 0.0210(4) Uani 1 1 d . . . . .
C1 C 0.69759(18) 1.0840(2) 0.97168(12) 0.0198(5) Uani 1 1 d . . . . .
C2 C 0.70433(19) 1.1651(2) 0.86847(12) 0.0234(5) Uani 1 1 d . . . . .
H2 H 0.690616 1.217609 0.828536 0.028 Uiso 1 1 calc R U . . .
C3 C 0.77161(19) 1.0689(2) 0.88322(12) 0.0200(5) Uani 1 1 d . . . . .
C4 C 0.83967(19) 1.0165(2) 0.84752(12) 0.0207(5) Uani 1 1 d . . . . .
C5 C 0.82617(19) 1.0627(2) 0.77395(12) 0.0219(5) Uani 1 1 d . . . . .
C6 C 0.8609(2) 1.1779(2) 0.76229(14) 0.0290(6) Uani 1 1 d . . . . .
H6 H 0.896915 1.227243 0.801353 0.035 Uiso 1 1 calc R U . . .
C7 C 0.8433(2) 1.2222(3) 0.69333(15) 0.0364(7) Uani 1 1 d . . . . .
H7 H 0.867890 1.301017 0.685898 0.044 Uiso 1 1 calc R U . . .
C8 C 0.7907(2) 1.1522(3) 0.63650(14) 0.0361(7) Uani 1 1 d . . . . .
H8 H 0.778805 1.182346 0.589792 0.043 Uiso 1 1 calc R U . . .
C9 C 0.7551(2) 1.0372(3) 0.64760(14) 0.0378(7) Uani 1 1 d . . . . .
H9 H 0.718543 0.988528 0.608401 0.045 Uiso 1 1 calc R U . . .
C10 C 0.7727(2) 0.9929(3) 0.71621(13) 0.0296(6) Uani 1 1 d . . . . .
H10 H 0.747876 0.914079 0.723408 0.036 Uiso 1 1 calc R U . . .
C11 C 0.90617(18) 0.9261(2) 0.87933(12) 0.0194(5) Uani 1 1 d . . . . .
C12 C 0.97293(18) 0.8731(2) 0.83813(12) 0.0202(5) Uani 1 1 d . . . . .
C13 C 1.0538(2) 0.9420(2) 0.82686(13) 0.0257(5) Uani 1 1 d . . . . .
H13 H 1.068491 1.020948 0.847349 0.031 Uiso 1 1 calc R U . . .
C14 C 1.1130(2) 0.8957(3) 0.78577(14) 0.0307(6) Uani 1 1 d . . . . .
H14 H 1.168462 0.942819 0.778636 0.037 Uiso 1 1 calc R U . . .
C15 C 1.09132(19) 0.7810(3) 0.75516(13) 0.0287(6) Uani 1 1 d . . . . .
H15 H 1.131543 0.749508 0.726852 0.034 Uiso 1 1 calc R U . . .
C16 C 1.01103(19) 0.7129(2) 0.76606(12) 0.0254(5) Uani 1 1 d . . . . .
H16 H 0.996280 0.634217 0.745117 0.030 Uiso 1 1 calc R U . . .
C17 C 0.95159(19) 0.7575(2) 0.80711(12) 0.0221(5) Uani 1 1 d . . . . .
H17 H 0.896455 0.709609 0.814182 0.027 Uiso 1 1 calc R U . . .
C18 C 0.90411(18) 0.8758(2) 0.94798(12) 0.0204(5) Uani 1 1 d . . . . .
C19 C 0.97155(19) 0.7821(2) 0.98483(12) 0.0234(5) Uani 1 1 d . . . . .
C20 C 0.9465(2) 0.7249(2) 1.04049(12) 0.0263(5) Uani 1 1 d . . . . .
H20 H 0.990945 0.660619 1.063893 0.032 Uiso 1 1 calc R U . . .
C21 C 0.8623(2) 0.7535(2) 1.06492(12) 0.0239(5) Uani 1 1 d . . . . .
C22 C 0.80167(19) 0.8572(2) 1.03473(12) 0.0209(5) Uani 1 1 d . . . . .
C23 C 0.82600(18) 0.9162(2) 0.97794(12) 0.0190(5) Uani 1 1 d . . . . .
C24 C 1.0708(2) 0.7418(3) 0.97028(14) 0.0309(6) Uani 1 1 d . . . . .
H24A H 1.118765 0.707922 1.013527 0.046 Uiso 1 1 calc R U . . .
H24B H 1.103433 0.812202 0.954640 0.046 Uiso 1 1 calc R U . . .
H24C H 1.054633 0.679224 0.933214 0.046 Uiso 1 1 calc R U . . .
C25 C 0.8348(2) 0.6765(2) 1.12204(13) 0.0289(6) Uani 1 1 d . . . . .
C26 C 0.7230(3) 0.6262(3) 1.09211(15) 0.0413(7) Uani 1 1 d . . . . .
H26A H 0.705892 0.575365 1.127916 0.062 Uiso 1 1 calc R U . . .
H26B H 0.718429 0.576777 1.050002 0.062 Uiso 1 1 calc R U . . .
H26C H 0.673732 0.694438 1.079395 0.062 Uiso 1 1 calc R U . . .
C27 C 0.9081(3) 0.5668(3) 1.14556(16) 0.0449(8) Uani 1 1 d . . . . .
H27A H 0.887676 0.520515 1.181731 0.067 Uiso 1 1 calc R U . . .
H27B H 0.979856 0.596028 1.165164 0.067 Uiso 1 1 calc R U . . .
H27C H 0.903589 0.513934 1.104821 0.067 Uiso 1 1 calc R U . . .
C28 C 0.8403(2) 0.7518(2) 1.18839(13) 0.0310(6) Uani 1 1 d . . . . .
H28A H 0.790880 0.819964 1.175846 0.047 Uiso 1 1 calc R U . . .
H28B H 0.911040 0.783864 1.208337 0.047 Uiso 1 1 calc R U . . .
H28C H 0.822432 0.699699 1.223396 0.047 Uiso 1 1 calc R U . . .
C29 C 0.6473(2) 1.2864(2) 1.12685(13) 0.0348(6) Uani 1 1 d . . . . .
H29A H 0.617194 1.367468 1.128724 0.052 Uiso 1 1 calc R U . . .
H29B H 0.722055 1.294459 1.132698 0.052 Uiso 1 1 calc R U . . .
H29C H 0.636923 1.235298 1.164891 0.052 Uiso 1 1 calc R U . . .
C30 C 0.4824(2) 1.2163(3) 1.04974(16) 0.0359(6) Uani 1 1 d . . . . .
H30A H 0.472948 1.164960 1.087956 0.054 Uiso 1 1 calc R U . . .
H30B H 0.447217 1.178424 1.004067 0.054 Uiso 1 1 calc R U . . .
H30C H 0.452526 1.297338 1.052096 0.054 Uiso 1 1 calc R U . . .
C31 C 0.6102(2) 1.3134(2) 1.00208(12) 0.0232(5) Uani 1 1 d . . . . .
H31A H 0.684088 1.339196 1.015494 0.028 Uiso 1 1 calc R U . . .
H31B H 0.567367 1.387483 1.001106 0.028 Uiso 1 1 calc R U . . .
C32 C 0.5814(2) 1.2591(2) 0.92839(13) 0.0261(5) Uani 1 1 d . . . . .
H32A H 0.512874 1.218041 0.917972 0.031 Uiso 1 1 calc R U . . .
H32B H 0.575832 1.325144 0.893254 0.031 Uiso 1 1 calc R U . . .
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'
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'
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'
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
C1 Pd1 O1 87.46(8) . . ?
C1 Pd1 N3 93.56(9) . . ?
O1 Pd1 N3 177.93(7) . . ?
C1 Pd1 Cl1 172.60(7) . . ?
O1 Pd1 Cl1 87.57(5) . . ?
N3 Pd1 Cl1 91.58(6) . . ?
C22 O1 Pd1 128.20(15) . . ?
C1 N1 C3 109.73(19) . . ?
C1 N1 C23 128.2(2) . . ?
C3 N1 C23 122.01(19) . . ?
C1 N2 C2 111.72(19) . . ?
C1 N2 C32 122.78(19) . . ?
C2 N2 C32 125.49(19) . . ?
C30 N3 C29 108.7(2) . . ?
C30 N3 C31 109.52(19) . . ?
C29 N3 C31 106.62(19) . . ?
C30 N3 Pd1 109.13(15) . . ?
C29 N3 Pd1 108.00(15) . . ?
C31 N3 Pd1 114.69(14) . . ?
N2 C1 N1 105.32(19) . . ?
N2 C1 Pd1 127.66(17) . . ?
N1 C1 Pd1 126.99(17) . . ?
C3 C2 N2 106.4(2) . . ?
C3 C2 H2 126.8 . . ?
N2 C2 H2 126.8 . . ?
C2 C3 N1 106.8(2) . . ?
C2 C3 C4 133.2(2) . . ?
N1 C3 C4 120.0(2) . . ?
C11 C4 C3 119.5(2) . . ?
C11 C4 C5 124.8(2) . . ?
C3 C4 C5 115.6(2) . . ?
C10 C5 C6 118.8(2) . . ?
C10 C5 C4 120.0(2) . . ?
C6 C5 C4 121.1(2) . . ?
C5 C6 C7 120.5(3) . . ?
C5 C6 H6 119.7 . . ?
C7 C6 H6 119.7 . . ?
C8 C7 C6 120.3(3) . . ?
C8 C7 H7 119.9 . . ?
C6 C7 H7 119.9 . . ?
C7 C8 C9 119.7(2) . . ?
C7 C8 H8 120.2 . . ?
C9 C8 H8 120.2 . . ?
C8 C9 C10 120.2(3) . . ?
C8 C9 H9 119.9 . . ?
C10 C9 H9 119.9 . . ?
C5 C10 C9 120.6(3) . . ?
C5 C10 H10 119.7 . . ?
C9 C10 H10 119.7 . . ?
C4 C11 C18 120.8(2) . . ?
C4 C11 C12 116.6(2) . . ?
C18 C11 C12 122.4(2) . . ?
C13 C12 C17 119.2(2) . . ?
C13 C12 C11 119.9(2) . . ?
C17 C12 C11 120.8(2) . . ?
C14 C13 C12 120.3(2) . . ?
C14 C13 H13 119.9 . . ?
C12 C13 H13 119.9 . . ?
C15 C14 C13 120.2(2) . . ?
C15 C14 H14 119.9 . . ?
C13 C14 H14 119.9 . . ?
C16 C15 C14 119.6(2) . . ?
C16 C15 H15 120.2 . . ?
C14 C15 H15 120.2 . . ?
C15 C16 C17 120.9(2) . . ?
C15 C16 H16 119.5 . . ?
C17 C16 H16 119.5 . . ?
C16 C17 C12 119.8(2) . . ?
C16 C17 H17 120.1 . . ?
C12 C17 H17 120.1 . . ?
C23 C18 C19 116.7(2) . . ?
C23 C18 C11 119.1(2) . . ?
C19 C18 C11 124.1(2) . . ?
C20 C19 C18 117.7(2) . . ?
C20 C19 C24 116.9(2) . . ?
C18 C19 C24 125.3(2) . . ?
C21 C20 C19 125.9(2) . . ?
C21 C20 H20 117.1 . . ?
C19 C20 H20 117.1 . . ?
C20 C21 C22 117.2(2) . . ?
C20 C21 C25 121.9(2) . . ?
C22 C21 C25 120.9(2) . . ?
O1 C22 C23 124.3(2) . . ?
O1 C22 C21 118.2(2) . . ?
C23 C22 C21 117.4(2) . . ?
N1 C23 C22 118.1(2) . . ?
N1 C23 C18 117.6(2) . . ?
C22 C23 C18 124.2(2) . . ?
C19 C24 H24A 109.5 . . ?
C19 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C19 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C28 C25 C27 107.2(2) . . ?
C28 C25 C21 112.0(2) . . ?
C27 C25 C21 112.3(2) . . ?
C28 C25 C26 108.4(2) . . ?
C27 C25 C26 107.6(2) . . ?
C21 C25 C26 109.3(2) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C25 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
N3 C29 H29A 109.5 . . ?
N3 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
N3 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
N3 C30 H30A 109.5 . . ?
N3 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
N3 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
N3 C31 C32 114.3(2) . . ?
N3 C31 H31A 108.7 . . ?
C32 C31 H31A 108.7 . . ?
N3 C31 H31B 108.7 . . ?
C32 C31 H31B 108.7 . . ?
H31A C31 H31B 107.6 . . ?
N2 C32 C31 110.2(2) . . ?
N2 C32 H32A 109.6 . . ?
C31 C32 H32A 109.6 . . ?
N2 C32 H32B 109.6 . . ?
C31 C32 H32B 109.6 . . ?
H32A C32 H32B 108.1 . . ?
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 C1 1.929(2) . ?
Pd1 O1 1.9814(17) . ?
Pd1 N3 2.102(2) . ?
Pd1 Cl1 2.3846(8) . ?
O1 C22 1.325(3) . ?
N1 C1 1.365(3) . ?
N1 C3 1.398(3) . ?
N1 C23 1.409(3) . ?
N2 C1 1.346(3) . ?
N2 C2 1.377(3) . ?
N2 C32 1.455(3) . ?
N3 C30 1.484(3) . ?
N3 C29 1.487(3) . ?
N3 C31 1.494(3) . ?
C2 C3 1.362(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.430(3) . ?
C4 C11 1.357(3) . ?
C4 C5 1.501(3) . ?
C5 C10 1.386(4) . ?
C5 C6 1.387(3) . ?
C6 C7 1.401(4) . ?
C6 H6 0.9500 . ?
C7 C8 1.372(4) . ?
C7 H7 0.9500 . ?
C8 C9 1.386(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.395(4) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C18 1.474(3) . ?
C11 C12 1.495(3) . ?
C12 C13 1.392(3) . ?
C12 C17 1.398(3) . ?
C13 C14 1.390(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.387(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.379(4) . ?
C15 H15 0.9500 . ?
C16 C17 1.385(3) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C18 C23 1.419(3) . ?
C18 C19 1.419(3) . ?
C19 C20 1.391(3) . ?
C19 C24 1.510(3) . ?
C20 C21 1.390(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.421(3) . ?
C21 C25 1.540(3) . ?
C22 C23 1.416(3) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C28 1.534(4) . ?
C25 C27 1.534(4) . ?
C25 C26 1.544(4) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.516(3) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
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
C2 N2 C1 N1 -1.5(3) . . . . ?
C32 N2 C1 N1 177.8(2) . . . . ?
C2 N2 C1 Pd1 -179.50(18) . . . . ?
C32 N2 C1 Pd1 -0.2(3) . . . . ?
C3 N1 C1 N2 1.7(3) . . . . ?
C23 N1 C1 N2 -179.8(2) . . . . ?
C3 N1 C1 Pd1 179.70(17) . . . . ?
C23 N1 C1 Pd1 -1.8(4) . . . . ?
C1 N2 C2 C3 0.7(3) . . . . ?
C32 N2 C2 C3 -178.5(2) . . . . ?
N2 C2 C3 N1 0.3(3) . . . . ?
N2 C2 C3 C4 180.0(3) . . . . ?
C1 N1 C3 C2 -1.3(3) . . . . ?
C23 N1 C3 C2 -179.9(2) . . . . ?
C1 N1 C3 C4 179.0(2) . . . . ?
C23 N1 C3 C4 0.4(3) . . . . ?
C2 C3 C4 C11 173.5(3) . . . . ?
N1 C3 C4 C11 -6.9(4) . . . . ?
C2 C3 C4 C5 -10.2(4) . . . . ?
N1 C3 C4 C5 169.4(2) . . . . ?
C11 C4 C5 C10 74.2(3) . . . . ?
C3 C4 C5 C10 -101.9(3) . . . . ?
C11 C4 C5 C6 -109.7(3) . . . . ?
C3 C4 C5 C6 74.2(3) . . . . ?
C10 C5 C6 C7 -0.8(4) . . . . ?
C4 C5 C6 C7 -176.9(2) . . . . ?
C5 C6 C7 C8 0.5(4) . . . . ?
C6 C7 C8 C9 0.0(4) . . . . ?
C7 C8 C9 C10 -0.1(4) . . . . ?
C6 C5 C10 C9 0.6(4) . . . . ?
C4 C5 C10 C9 176.8(2) . . . . ?
C8 C9 C10 C5 -0.2(4) . . . . ?
C3 C4 C11 C18 4.1(4) . . . . ?
C5 C4 C11 C18 -171.9(2) . . . . ?
C3 C4 C11 C12 178.3(2) . . . . ?
C5 C4 C11 C12 2.4(4) . . . . ?
C4 C11 C12 C13 70.8(3) . . . . ?
C18 C11 C12 C13 -115.1(3) . . . . ?
C4 C11 C12 C17 -105.5(3) . . . . ?
C18 C11 C12 C17 68.7(3) . . . . ?
C17 C12 C13 C14 -0.6(4) . . . . ?
C11 C12 C13 C14 -176.9(2) . . . . ?
C12 C13 C14 C15 0.6(4) . . . . ?
C13 C14 C15 C16 -0.3(4) . . . . ?
C14 C15 C16 C17 0.1(4) . . . . ?
C15 C16 C17 C12 0.0(4) . . . . ?
C13 C12 C17 C16 0.3(3) . . . . ?
C11 C12 C17 C16 176.6(2) . . . . ?
C4 C11 C18 C23 5.0(3) . . . . ?
C12 C11 C18 C23 -168.9(2) . . . . ?
C4 C11 C18 C19 -179.5(2) . . . . ?
C12 C11 C18 C19 6.6(4) . . . . ?
C23 C18 C19 C20 9.5(3) . . . . ?
C11 C18 C19 C20 -166.1(2) . . . . ?
C23 C18 C19 C24 -168.2(2) . . . . ?
C11 C18 C19 C24 16.1(4) . . . . ?
C18 C19 C20 C21 -1.9(4) . . . . ?
C24 C19 C20 C21 176.1(2) . . . . ?
C19 C20 C21 C22 -6.0(4) . . . . ?
C19 C20 C21 C25 173.7(2) . . . . ?
Pd1 O1 C22 C23 -26.2(3) . . . . ?
Pd1 O1 C22 C21 155.86(16) . . . . ?
C20 C21 C22 O1 -176.4(2) . . . . ?
C25 C21 C22 O1 3.9(3) . . . . ?
C20 C21 C22 C23 5.5(3) . . . . ?
C25 C21 C22 C23 -174.2(2) . . . . ?
C1 N1 C23 C22 13.2(4) . . . . ?
C3 N1 C23 C22 -168.5(2) . . . . ?
C1 N1 C23 C18 -169.8(2) . . . . ?
C3 N1 C23 C18 8.6(3) . . . . ?
O1 C22 C23 N1 1.3(3) . . . . ?
C21 C22 C23 N1 179.3(2) . . . . ?
O1 C22 C23 C18 -175.6(2) . . . . ?
C21 C22 C23 C18 2.4(3) . . . . ?
C19 C18 C23 N1 173.0(2) . . . . ?
C11 C18 C23 N1 -11.1(3) . . . . ?
C19 C18 C23 C22 -10.1(3) . . . . ?
C11 C18 C23 C22 165.8(2) . . . . ?
C20 C21 C25 C28 119.1(3) . . . . ?
C22 C21 C25 C28 -61.2(3) . . . . ?
C20 C21 C25 C27 -1.5(4) . . . . ?
C22 C21 C25 C27 178.2(2) . . . . ?
C20 C21 C25 C26 -120.8(3) . . . . ?
C22 C21 C25 C26 58.9(3) . . . . ?
C30 N3 C31 C32 -74.2(3) . . . . ?
C29 N3 C31 C32 168.4(2) . . . . ?
Pd1 N3 C31 C32 48.9(2) . . . . ?
C1 N2 C32 C31 47.3(3) . . . . ?
C2 N2 C32 C31 -133.5(2) . . . . ?
N3 C31 C32 N2 -73.6(3) . . . . ?
