#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/44/1504497.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_1504497
loop_
_publ_author_name
'Blanco, Víctor'
'Chas, Marcos'
'Abella, Dolores'
'Pía, Elena'
'Platas-Iglesias, Carlos'
'Peinador, Carlos'
'Quintela, José M'
_publ_section_title
;
 Self-assembly of 1:2 inclusion complexes between a metallocycle host and
 dihydroxyaromatic guests: a redox controlled complexation process.
;
_journal_issue                   3
_journal_name_full               'Organic letters'
_journal_page_first              409
_journal_page_last               412
_journal_paper_doi               10.1021/ol702701t
_journal_volume                  10
_journal_year                    2008
_chemical_formula_sum            'C76 H98 N20 O50 Pd2'
_chemical_formula_weight         2304.54
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 106.3290(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   32.6438(13)
_cell_length_b                   10.0301(4)
_cell_length_c                   29.2548(12)
_cell_measurement_reflns_used    8224
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      55.079
_cell_measurement_theta_min      4.621
_cell_volume                     9192.3(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0281
_diffrn_reflns_av_sigmaI/netI    0.0359
_diffrn_reflns_limit_h_max       43
_diffrn_reflns_limit_h_min       -43
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            32503
_diffrn_reflns_theta_full        28.31
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         1.30
_exptl_absorpt_coefficient_mu    0.508
_exptl_absorpt_correction_T_max  0.9186
_exptl_absorpt_correction_T_min  0.8878
_exptl_crystal_colour            VIOLET
_exptl_crystal_density_diffrn    1.665
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4744
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.828
_refine_diff_density_min         -1.565
_refine_diff_density_rms         0.126
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     668
_refine_ls_number_reflns         11328
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.1211
_refine_ls_R_factor_gt           0.0940
_refine_ls_shift/su_max          4.681
_refine_ls_shift/su_mean         0.035
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1204P)²+76.3877P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2433
_refine_ls_wR_factor_ref         0.2667
_reflns_number_gt                8368
_reflns_number_total             11328
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ol702701t-file003.cif
_cod_data_source_block           0621943_0s
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'MONOCLINIC' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        9192.2(6)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               1504497
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Pd1 Pd 0.663486(14) 0.20699(6) 0.242887(16) 0.05297(19) Uani 1 1 d .
N1 N 0.66308(13) 0.2326(5) 0.17406(17) 0.0444(11) Uani 1 1 d .
N2 N 0.64189(13) 0.3126(5) -0.07015(17) 0.0425(10) Uani 1 1 d .
N3 N 0.59416(13) 0.3922(5) -0.14412(16) 0.0417(10) Uani 1 1 d .
N4 N 0.39421(14) 0.6993(5) -0.22902(16) 0.0402(10) Uani 1 1 d .
N5 N 0.7196(2) 0.1065(10) 0.2584(2) 0.107(3) Uani 1 1 d .
H5A H 0.7164 0.0295 0.2406 0.129 Uiso 1 1 calc R
H5B H 0.7402 0.1582 0.2510 0.129 Uiso 1 1 calc R
N6 N 0.6667(2) 0.1721(8) 0.3115(2) 0.082(2) Uani 1 1 d .
H6A H 0.6728 0.2500 0.3287 0.098 Uiso 1 1 calc R
H6B H 0.6409 0.1404 0.3138 0.098 Uiso 1 1 calc R
C1 C 0.6574(2) 0.1265(7) 0.1444(2) 0.0525(14) Uani 1 1 d .
H1 H 0.6549 0.0403 0.1568 0.063 Uiso 1 1 calc R
C2 C 0.65499(19) 0.1391(6) 0.0970(2) 0.0499(14) Uani 1 1 d .
H2 H 0.6516 0.0620 0.0774 0.060 Uiso 1 1 calc R
C3 C 0.65748(14) 0.2627(5) 0.07760(19) 0.0367(11) Uani 1 1 d .
C4 C 0.66413(18) 0.3711(6) 0.1084(2) 0.0472(13) Uani 1 1 d .
H4 H 0.6671 0.4581 0.0969 0.057 Uiso 1 1 calc R
C5 C 0.66649(18) 0.3519(7) 0.1559(2) 0.0515(14) Uani 1 1 d .
H5 H 0.6707 0.4273 0.1764 0.062 Uiso 1 1 calc R
C6 C 0.63765(17) 0.1899(6) -0.0526(2) 0.0456(13) Uani 1 1 d .
H6 H 0.6311 0.1156 -0.0736 0.055 Uiso 1 1 calc R
C7 C 0.64267(16) 0.1724(6) -0.0051(2) 0.0413(11) Uani 1 1 d .
H7 H 0.6393 0.0862 0.0068 0.050 Uiso 1 1 calc R
C8 C 0.65263(14) 0.2801(5) 0.02603(19) 0.0364(11) Uani 1 1 d .
C9 C 0.65721(15) 0.4047(5) 0.0068(2) 0.0400(11) Uani 1 1 d .
H9 H 0.6641 0.4802 0.0272 0.048 Uiso 1 1 calc R
C10 C 0.65196(16) 0.4192(6) -0.0408(2) 0.0437(12) Uani 1 1 d .
H10 H 0.6554 0.5044 -0.0534 0.052 Uiso 1 1 calc R
C11 C 0.63612(16) 0.3301(7) -0.1218(2) 0.0466(13) Uani 1 1 d .
H11A H 0.6591 0.3874 -0.1269 0.056 Uiso 1 1 calc R
H11B H 0.6377 0.2424 -0.1368 0.056 Uiso 1 1 calc R
C12 C 0.55895(19) 0.3166(7) -0.1549(3) 0.0604(19) Uani 1 1 d .
H12 H 0.5612 0.2232 -0.1493 0.073 Uiso 1 1 calc R
C13 C 0.51941(18) 0.3743(6) -0.1740(3) 0.0572(17) Uani 1 1 d .
H13 H 0.4946 0.3199 -0.1820 0.069 Uiso 1 1 calc R
C14 C 0.51561(15) 0.5100(5) -0.18163(17) 0.0358(10) Uani 1 1 d .
C15 C 0.55346(16) 0.5838(6) -0.1708(2) 0.0491(14) Uani 1 1 d .
H15 H 0.5524 0.6771 -0.1766 0.059 Uiso 1 1 calc R
C16 C 0.59202(16) 0.5233(7) -0.1519(2) 0.0480(14) Uani 1 1 d .
H16 H 0.6174 0.5749 -0.1443 0.058 Uiso 1 1 calc R
C17 C 0.39729(16) 0.5676(5) -0.2291(2) 0.0417(12) Uani 1 1 d .
H17 H 0.3720 0.5159 -0.2395 0.050 Uiso 1 1 calc R
C18 C 0.43634(16) 0.5027(5) -0.2145(2) 0.0417(12) Uani 1 1 d .
H18 H 0.4376 0.4081 -0.2149 0.050 Uiso 1 1 calc R
C19 C 0.47334(14) 0.5767(5) -0.19938(17) 0.0340(10) Uani 1 1 d .
C20 C 0.46983(18) 0.7129(6) -0.2013(3) 0.0538(15) Uani 1 1 d .
H20 H 0.4947 0.7670 -0.1924 0.065 Uiso 1 1 calc R
C21 C 0.43011(18) 0.7710(6) -0.2162(3) 0.0535(15) Uani 1 1 d .
H21 H 0.4281 0.8655 -0.2174 0.064 Uiso 1 1 calc R
C22 C 0.7326(3) 0.0740(13) 0.3095(3) 0.100(4) Uani 1 1 d .
H22A H 0.7461 -0.0151 0.3137 0.120 Uiso 1 1 calc R
H22B H 0.7544 0.1392 0.3262 0.120 Uiso 1 1 calc R
C23 C 0.7003(6) 0.074(3) 0.3308(5) 0.285(17) Uani 1 1 d .
H23A H 0.7126 0.0907 0.3652 0.342 Uiso 1 1 calc R
H23B H 0.6873 -0.0163 0.3273 0.342 Uiso 1 1 calc R
C24 C 0.5481(2) 0.3552(18) -0.0053(4) 0.102(4) Uani 1 1 d .
C25 C 0.5400(3) 0.2564(15) -0.0407(4) 0.097(3) Uani 1 1 d .
H25 H 0.5356 0.2780 -0.0734 0.117 Uiso 1 1 calc R
C26 C 0.5390(3) 0.1285(19) -0.0259(5) 0.128(5) Uani 1 1 d .
H26 H 0.5352 0.0590 -0.0487 0.153 Uiso 1 1 calc R
C27 C 0.5431(3) 0.095(2) 0.0208(5) 0.143(6) Uani 1 1 d .
H27 H 0.5425 0.0041 0.0295 0.171 Uiso 1 1 calc R
C28 C 0.5479(3) 0.192(2) 0.0546(5) 0.119(5) Uani 1 1 d .
C29A C 0.5509(2) 0.3295(18) 0.0432(4) 0.112(5) Uani 1 1 d .
C29 C 0.5562(3) 0.4203(17) 0.0786(4) 0.111(4) Uani 1 1 d .
H29 H 0.5574 0.3972 0.1105 0.134 Uiso 1 1 calc R
C30 C 0.5598(3) 0.5507(19) 0.0640(4) 0.118(5) Uani 1 1 d .
H30 H 0.5636 0.6189 0.0874 0.141 Uiso 1 1 calc R
C31 C 0.5582(3) 0.5894(16) 0.0172(4) 0.115(4) Uani 1 1 d .
H31 H 0.5614 0.6807 0.0102 0.138 Uiso 1 1 calc R
C32 C 0.5522(2) 0.498(2) -0.0177(4) 0.130(6) Uani 1 1 d .
C33 C 0.75539(15) 0.2803(6) 0.0225(2) 0.0422(12) Uani 1 1 d .
C34 C 0.75669(15) 0.1983(6) 0.0628(2) 0.0452(13) Uani 1 1 d .
C35 C 0.74798(18) 0.0662(7) 0.0581(3) 0.0550(16) Uani 1 1 d .
H35 H 0.7489 0.0138 0.0854 0.066 Uiso 1 1 calc R
C36 C 0.73753(19) 0.0064(7) 0.0125(3) 0.0576(17) Uani 1 1 d .
H36 H 0.7313 -0.0862 0.0093 0.069 Uiso 1 1 calc R
C37 C 0.73627(17) 0.0807(6) -0.0269(2) 0.0500(14) Uani 1 1 d .
H37 H 0.7298 0.0394 -0.0574 0.060 Uiso 1 1 calc R
O1 O 0.5500(3) 0.1643(13) 0.1018(3) 0.147(4) Uani 1 1 d .
H1A H 0.5482 0.0816 0.1054 0.221 Uiso 1 1 calc R
O2 O 0.5511(2) 0.5143(11) -0.0629(3) 0.126(3) Uani 1 1 d .
H2A H 0.5550 0.5952 -0.0679 0.189 Uiso 1 1 calc R
O3 O 0.76791(13) 0.2633(5) 0.10561(17) 0.0596(11) Uani 1 1 d .
H3 H 0.7683 0.2089 0.1276 0.089 Uiso 1 1 calc R
N7 N 0.78968(17) 0.0278(9) 0.1971(2) 0.083(2) Uani 1 1 d .
O4 O 0.81192(15) -0.0161(7) 0.17232(19) 0.0770(16) Uani 1 1 d .
O5 O 0.76227(18) 0.1176(9) 0.1811(2) 0.116(3) Uani 1 1 d .
O6 O 0.79386(17) -0.0174(8) 0.23693(19) 0.101(3) Uani 1 1 d .
N8 N 0.6009(3) 0.1755(9) 0.7516(4) 0.104(3) Uani 1 1 d .
O7 O 0.5625(3) 0.1901(12) 0.7492(6) 0.177(5) Uani 1 1 d .
O8 O 0.6306(3) 0.2550(7) 0.7734(3) 0.106(2) Uani 1 1 d .
O9 O 0.6098(4) 0.0846(10) 0.7282(4) 0.160(4) Uani 1 1 d .
N9 N 0.5833(7) 0.9637(9) 0.8435(5) 0.157(6) Uani 1 1 d .
O10 O 0.5609(5) 1.0051(11) 0.8667(5) 0.184(5) Uani 1 1 d .
O11 O 0.6129(5) 1.0306(9) 0.8469(4) 0.171(5) Uani 1 1 d .
O12 O 0.5773(4) 0.8684(8) 0.8160(4) 0.173(5) Uani 1 1 d .
N10 N 0.5604(15) 0.172(5) 0.643(2) 0.473(18) Uiso 1 1 d DU
O28 O 0.564(3) 0.297(6) 0.635(4) 1.00(6) Uiso 1 1 d DU
O13 O 0.5339(9) 0.080(2) 0.6381(7) 0.324(11) Uani 1 1 d DU
O14 O 0.5823(14) 0.105(4) 0.6212(15) 0.537(17) Uani 1 1 d DU
O17 O 0.6796(7) 0.7146(19) 0.0557(13) 0.47(3) Uani 1 1 d .
H17A H 0.6599 0.6798 0.0334 0.9(7) Uiso 1 1 d R
H17B H 0.6831 0.6658 0.0802 0.06(2) Uiso 1 1 d R
O18 O 0.6571(6) 0.730(2) 0.1363(6) 0.301(12) Uani 1 1 d .
H18A H 0.6758 0.7722 0.1271 0.040(9) Uiso 1 1 d R
O20 O 0.7477(10) 0.7276(15) 0.0751(7) 0.78(6) Uani 1 1 d .
H20A H 0.7377 0.7079 0.0716 0.000(8) Uiso 1 1 d R
O21 O 0.6961(4) 0.1854(10) 0.7248(5) 0.167(5) Uani 1 1 d .
H21A H 0.6606 0.2060 0.7221 0.052(18) Uiso 1 1 d R
H21B H 0.6493 0.1825 0.7497 0.06(2) Uiso 1 1 d R
O22 O 0.5413(6) 0.7842(16) 0.9119(5) 0.215(6) Uani 1 1 d .
O23 O 0.6344(5) 0.8450(13) 0.9714(7) 0.243(8) Uani 1 1 d .
O24 O 0.5090(9) 0.042(2) 0.7205(8) 0.62(5) Uani 1 1 d .
H24A H 0.4974 0.0243 0.7263 0.018(12) Uiso 1 1 d R
O25B O 0.6707(3) 0.6988(8) 0.9102(3) 0.117(3) Uani 1 1 d .
H25B H 0.6916 0.7187 0.9402 0.008(10) Uiso 1 1 d R
O25A O 0.6575(10) 0.762(2) 0.9458(11) 0.83(8) Uani 1 1 d .
H25A H 0.6813 0.7067 0.9732 0.000(8) Uiso 1 1 d R
O26 O 0.6414(7) 0.8271(17) 0.0604(9) 1.20(11) Uani 1 1 d .
H26B H 0.6252 0.8285 0.0863 0.000(8) Uiso 1 1 d R
H26A H 0.6454 0.8584 0.0373 0.002(8) Uiso 1 1 d R
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'
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
N6 Pd1 N1 176.3(2) . .
N6 Pd1 N5 84.3(3) . .
N1 Pd1 N5 92.2(2) . .
N6 Pd1 N4 93.7(2) . 5_665
N1 Pd1 N4 89.79(17) . 5_665
N5 Pd1 N4 177.1(3) . 5_665
C5 N1 C1 117.8(5) . .
C5 N1 Pd1 122.3(4) . .
C1 N1 Pd1 119.9(4) . .
C10 N2 C6 120.7(5) . .
C10 N2 C11 119.6(5) . .
C6 N2 C11 119.8(5) . .
C16 N3 C12 121.2(5) . .
C16 N3 C11 119.2(5) . .
C12 N3 C11 119.5(5) . .
C17 N4 C21 118.4(5) . .
C17 N4 Pd1 121.7(4) . 5_665
C21 N4 Pd1 119.7(4) . 5_665
C22 N5 Pd1 108.7(5) . .
C23 N6 Pd1 108.9(5) . .
N1 C1 C2 122.2(6) . .
C3 C2 C1 120.4(6) . .
C2 C3 C4 117.0(5) . .
C2 C3 C8 121.6(5) . .
C4 C3 C8 121.4(5) . .
C5 C4 C3 119.8(6) . .
N1 C5 C4 122.7(6) . .
N2 C6 C7 120.4(5) . .
C6 C7 C8 120.4(5) . .
C7 C8 C9 117.6(5) . .
C7 C8 C3 120.9(5) . .
C9 C8 C3 121.5(5) . .
C10 C9 C8 120.7(5) . .
N2 C10 C9 120.2(5) . .
N3 C11 N2 109.6(4) . .
N3 C12 C13 120.0(6) . .
C14 C13 C12 120.7(6) . .
C13 C14 C15 116.9(5) . .
C13 C14 C19 122.2(5) . .
C15 C14 C19 120.9(5) . .
C16 C15 C14 120.8(6) . .
N3 C16 C15 120.4(5) . .
N4 C17 C18 122.1(5) . .
C19 C18 C17 119.4(5) . .
C20 C19 C18 117.9(5) . .
C20 C19 C14 121.4(5) . .
C18 C19 C14 120.7(5) . .
C19 C20 C21 119.7(5) . .
N4 C21 C20 122.4(5) . .
C23 C22 N5 115.2(8) . .
C22 C23 N6 114.4(12) . .
C25 C24 C29A 123.8(16) . .
C25 C24 C32 120.5(12) . .
C29A C24 C32 115.6(13) . .
C26 C25 C24 116.5(13) . .
C25 C26 C27 122.9(15) . .
C28 C27 C26 120.4(18) . .
C27 C28 O1 122.9(17) . .
C27 C28 C29A 121.3(14) . .
O1 C28 C29A 115.8(15) . .
C29 C29A C24 127.0(17) . .
C29 C29A C28 118.2(15) . .
C24 C29A C28 114.8(13) . .
C29A C29 C30 113.6(14) . .
C29 C30 C31 125.0(14) . .
C32 C31 C30 120.3(16) . .
O2 C32 C31 128.9(19) . .
O2 C32 C24 112.7(12) . .
C31 C32 C24 118.4(14) . .
C33 C33 C37 120.1(7) 7_655 7_655
C33 C33 C34 117.8(7) 7_655 .
C37 C33 C34 122.0(6) 7_655 .
C35 C34 O3 123.6(6) . .
C35 C34 C33 121.6(6) . .
O3 C34 C33 114.8(6) . .
C34 C35 C36 119.9(6) . .
C37 C36 C35 120.6(6) . .
C36 C37 C33 120.0(6) . 7_655
O6 N7 O4 119.9(6) . .
O6 N7 O5 119.9(6) . .
O4 N7 O5 120.2(6) . .
O9 N8 O7 116.8(12) . .
O9 N8 O8 118.4(11) . .
O7 N8 O8 124.4(12) . .
O11 N9 O10 112.1(12) . .
O11 N9 O12 118.9(15) . .
O10 N9 O12 128.8(18) . .
O13 N10 O14 91(4) . .
O13 N10 O28 143(8) . .
O14 N10 O28 109(6) . .
N10 O13 O14 45(2) . .
N10 O14 O13 43.8(19) . .
O25B O25A O23 163(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 N6 2.012(6) .
Pd1 N1 2.026(5) .
Pd1 N5 2.027(5) .
Pd1 N4 2.041(4) 5_665
N1 C5 1.326(9) .
N1 C1 1.351(8) .
N2 C10 1.353(8) .
N2 C6 1.355(8) .
N2 C11 1.481(7) .
N3 C16 1.333(8) .
N3 C12 1.339(8) .
N3 C11 1.479(6) .
N4 C17 1.325(7) .
N4 C21 1.335(7) .
N4 Pd1 2.041(4) 5_665
N5 C22 1.472(10) .
N6 C23 1.466(11) .
C1 C2 1.375(9) .
C2 C3 1.374(8) .
C3 C4 1.390(8) .
C3 C8 1.482(8) .
C4 C5 1.384(9) .
C6 C7 1.365(8) .
C7 C8 1.390(8) .
C8 C9 1.396(8) .
C9 C10 1.363(8) .
C12 C13 1.382(8) .
C13 C14 1.379(8) .
C14 C15 1.398(7) .
C14 C19 1.490(6) .
C15 C16 1.366(7) .
C17 C18 1.387(7) .
C18 C19 1.380(7) .
C19 C20 1.371(8) .
C20 C21 1.376(8) .
C22 C23 1.365(17) .
C24 C25 1.403(16) .
C24 C29A 1.419(16) .
C24 C32 1.49(2) .
C25 C26 1.358(19) .
C26 C27 1.375(19) .
C27 C28 1.36(2) .
C28 O1 1.391(15) .
C28 C29A 1.43(2) .
C29A C29 1.355(16) .
C29 C30 1.39(2) .
C30 C31 1.411(17) .
C31 C32 1.347(17) .
C32 O2 1.323(14) .
C33 C33 1.403(12) 7_655
C33 C37 1.419(8) 7_655
C33 C34 1.428(8) .
C34 C35 1.354(9) .
C34 O3 1.367(8) .
C35 C36 1.415(10) .
C36 C37 1.365(10) .
C37 C33 1.419(8) 7_655
N7 O6 1.221(7) .
N7 O4 1.243(8) .
N7 O5 1.263(8) .
N8 O9 1.223(12) .
N8 O7 1.242(12) .
N8 O8 1.280(11) .
N9 O11 1.157(18) .
N9 O10 1.202(16) .
N9 O12 1.229(13) .
N10 O13 1.247(18) .
N10 O14 1.27(3) .
N10 O28 1.28(3) .
O13 O14 1.80(5) .
O17 O26 1.71(3) .
O20 H20A 0.3724 .
O21 H21B 1.8672 .
O23 O25A 1.46(2) .
O24 H24A 0.4898 .
O25B O25A 1.39(2) .
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_4
N6 Pd1 N1 C5 -132(5) . .
N5 Pd1 N1 C5 -114.1(5) . .
N4 Pd1 N1 C5 68.0(4) 5_665 .
N6 Pd1 N1 C1 51(5) . .
N5 Pd1 N1 C1 68.8(5) . .
N4 Pd1 N1 C1 -109.1(4) 5_665 .
N6 Pd1 N5 C22 -3.9(8) . .
N1 Pd1 N5 C22 177.2(8) . .
N4 Pd1 N5 C22 -50(6) 5_665 .
N1 Pd1 N6 C23 5(5) . .
N5 Pd1 N6 C23 -12.2(14) . .
N4 Pd1 N6 C23 165.7(14) 5_665 .
C5 N1 C1 C2 -0.1(9) . .
Pd1 N1 C1 C2 177.2(5) . .
N1 C1 C2 C3 -1.5(9) . .
C1 C2 C3 C4 2.5(8) . .
C1 C2 C3 C8 -176.6(5) . .
C2 C3 C4 C5 -2.2(8) . .
C8 C3 C4 C5 176.9(5) . .
C1 N1 C5 C4 0.4(8) . .
Pd1 N1 C5 C4 -176.7(4) . .
C3 C4 C5 N1 0.7(9) . .
C10 N2 C6 C7 1.3(8) . .
C11 N2 C6 C7 -179.7(5) . .
N2 C6 C7 C8 -0.6(8) . .
C6 C7 C8 C9 0.0(7) . .
C6 C7 C8 C3 179.0(4) . .
C2 C3 C8 C7 4.1(7) . .
C4 C3 C8 C7 -174.9(5) . .
C2 C3 C8 C9 -176.9(5) . .
C4 C3 C8 C9 4.1(7) . .
C7 C8 C9 C10 0.1(7) . .
C3 C8 C9 C10 -178.9(4) . .
C6 N2 C10 C9 -1.2(7) . .
C11 N2 C10 C9 179.7(4) . .
C8 C9 C10 N2 0.5(7) . .
C16 N3 C11 N2 97.9(6) . .
C12 N3 C11 N2 -80.3(7) . .
C10 N2 C11 N3 -76.6(6) . .
C6 N2 C11 N3 104.3(6) . .
C16 N3 C12 C13 -0.6(10) . .
C11 N3 C12 C13 177.6(6) . .
N3 C12 C13 C14 -1.0(11) . .
C12 C13 C14 C15 2.4(10) . .
C12 C13 C14 C19 -176.1(6) . .
C13 C14 C15 C16 -2.3(9) . .
C19 C14 C15 C16 176.2(6) . .
C12 N3 C16 C15 0.6(9) . .
C11 N3 C16 C15 -177.5(6) . .
C14 C15 C16 N3 0.9(10) . .
C21 N4 C17 C18 2.7(9) . .
Pd1 N4 C17 C18 -172.6(4) 5_665 .
N4 C17 C18 C19 0.0(9) . .
C17 C18 C19 C20 -2.6(9) . .
C17 C18 C19 C14 177.5(5) . .
C13 C14 C19 C20 172.0(6) . .
C15 C14 C19 C20 -6.4(8) . .
C13 C14 C19 C18 -8.1(8) . .
C15 C14 C19 C18 173.5(5) . .
C18 C19 C20 C21 2.5(10) . .
C14 C19 C20 C21 -177.5(6) . .
C17 N4 C21 C20 -2.7(10) . .
Pd1 N4 C21 C20 172.6(6) 5_665 .
C19 C20 C21 N4 0.1(11) . .
Pd1 N5 C22 C23 21.5(18) . .
N5 C22 C23 N6 -34(3) . .
Pd1 N6 C23 C22 28(2) . .
C29A C24 C25 C26 -6.3(13) . .
C32 C24 C25 C26 176.8(9) . .
C24 C25 C26 C27 3.6(16) . .
C25 C26 C27 C28 0.9(18) . .
C26 C27 C28 O1 176.6(9) . .
C26 C27 C28 C29A -2.9(17) . .
C25 C24 C29A C29 -176.1(8) . .
C32 C24 C29A C29 1.0(12) . .
C25 C24 C29A C28 4.3(12) . .
C32 C24 C29A C28 -178.6(8) . .
C27 C28 C29A C29 -179.2(9) . .
O1 C28 C29A C29 1.2(13) . .
C27 C28 C29A C24 0.4(14) . .
O1 C28 C29A C24 -179.1(7) . .
C24 C29A C29 C30 -1.1(13) . .
C28 C29A C29 C30 178.5(8) . .
C29A C29 C30 C31 0.1(14) . .
C29 C30 C31 C32 1.0(14) . .
C30 C31 C32 O2 -177.7(8) . .
C30 C31 C32 C24 -1.0(12) . .
C25 C24 C32 O2 -5.5(11) . .
C29A C24 C32 O2 177.3(6) . .
C25 C24 C32 C31 177.3(7) . .
C29A C24 C32 C31 0.1(11) . .
C33 C33 C34 C35 0.2(8) 7_655 .
C37 C33 C34 C35 178.9(5) 7_655 .
C33 C33 C34 O3 179.2(5) 7_655 .
C37 C33 C34 O3 -2.1(7) 7_655 .
O3 C34 C35 C36 -178.6(5) . .
C33 C34 C35 C36 0.4(8) . .
C34 C35 C36 C37 0.2(9) . .
C35 C36 C37 C33 -1.3(9) . 7_655
O28 N10 O13 O14 125(14) . .
O28 N10 O14 O13 -149(11) . .
