#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:20:11 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180133 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/31/7103183.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_7103183
loop_
_publ_author_name
'Abella, Dolores'
'Blanco, Víctor'
'Pía, Elena'
'Chas, Marcos'
'Platas-Iglesias, Carlos'
'Peinador, Carlos'
'Quintela, José M'
_publ_section_title
;
 Stereoselective self-assembly of atropoisomeric Pd(II) metallocycles
 induced by an aromatic guest.
;
_journal_issue                   25
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              2879
_journal_page_last               2881
_journal_paper_doi               10.1039/b802213e
_journal_year                    2008
_chemical_formula_sum            'C62 H72 N16 O24 Pd2'
_chemical_formula_weight         1638.16
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                109.691(3)
_cell_angle_beta                 97.742(3)
_cell_angle_gamma                99.527(3)
_cell_formula_units_Z            1
_cell_length_a                   11.818(2)
_cell_length_b                   12.632(2)
_cell_length_c                   12.814(2)
_cell_measurement_reflns_used    4753
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      42.905
_cell_measurement_theta_min      4.408
_cell_volume                     1738.4(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_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  0.0879
_diffrn_reflns_av_sigmaI/netI    0.1308
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            23236
_diffrn_reflns_theta_full        28.34
_diffrn_reflns_theta_max         28.34
_diffrn_reflns_theta_min         1.72
_exptl_absorpt_coefficient_mu    0.608
_exptl_absorpt_correction_T_max  0.9197
_exptl_absorpt_correction_T_min  0.8482
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.565
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'irregular block'
_exptl_crystal_F_000             840
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.897
_refine_diff_density_min         -0.592
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.946
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     525
_refine_ls_number_reflns         8549
_refine_ls_number_restraints     231
_refine_ls_restrained_S_all      0.951
_refine_ls_R_factor_all          0.1548
_refine_ls_R_factor_gt           0.0626
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0960P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1543
_refine_ls_wR_factor_ref         0.1897
_reflns_number_gt                4024
_reflns_number_total             8549
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b802213e.txt
_cod_data_source_block           0620086s
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'multi scan' changed
to 'multi-scan' 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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7103183
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.40861(4) 0.48263(4) 0.23996(4) 0.05132(19) Uani 1 1 d . . .
O1 O 0.1442(5) 0.0586(5) 0.2281(4) 0.0919(15) Uani 1 1 d DU . .
O3A O 0.470(2) -0.1433(17) 0.3001(18) 0.190(7) Uani 0.50 1 d PDU A 1
H3A H 0.4224 -0.1520 0.2414 0.285 Uiso 0.50 1 calc PR A 1
O2A O 0.3826(19) 0.089(2) 0.357(2) 0.172(8) Uani 0.50 1 d PDU A 1
O3B O 0.4793(16) -0.0309(14) 0.1653(14) 0.153(5) Uani 0.50 1 d PDU B 2
H3B H 0.4455 -0.1008 0.1314 0.230 Uiso 0.50 1 calc PR B 2
O2B O 0.3738(17) 0.081(2) 0.321(2) 0.145(6) Uani 0.50 1 d PDU B 2
N1 N -0.3631(4) -0.3223(4) -0.1155(4) 0.0557(12) Uani 1 1 d . . .
N2 N -0.1258(4) 0.2279(4) 0.3065(4) 0.0521(12) Uani 1 1 d . . .
N3 N 0.2552(4) 0.4505(4) 0.2917(4) 0.0528(12) Uani 1 1 d . . .
N4 N 0.4608(5) 0.6470(4) 0.3546(5) 0.0721(15) Uani 1 1 d . . .
H4B H 0.4183 0.6866 0.3087 0.086 Uiso 1 1 d R . .
H4A H 0.4484 0.6433 0.4156 0.086 Uiso 1 1 d R . .
N5 N 0.5700(5) 0.5171(5) 0.2035(4) 0.0645(14) Uani 1 1 d . . .
H5A H 0.5541 0.4860 0.1146 0.077 Uiso 1 1 d R . .
H5B H 0.5989 0.4519 0.2335 0.077 Uiso 1 1 d R . .
C1 C -0.1036(6) 0.1324(6) 0.3202(5) 0.0612(16) Uani 1 1 d . . .
H1 H -0.0516 0.1398 0.3869 0.073 Uiso 1 1 calc R . .
C2 C -0.2002(6) 0.2180(6) 0.2136(5) 0.0655(17) Uani 1 1 d . . .
H2 H -0.2169 0.2856 0.2042 0.079 Uiso 1 1 calc R . .
C3 C 0.0640(8) -0.1346(7) 0.0886(7) 0.090(2) Uani 1 1 d . . .
H3 H 0.0964 -0.1693 0.1372 0.108 Uiso 1 1 calc R A .
C4 C -0.1527(6) 0.0257(5) 0.2420(5) 0.0614(16) Uani 1 1 d . . .
H4 H -0.1351 -0.0403 0.2546 0.074 Uiso 1 1 calc R . .
C5 C -0.2286(5) 0.0124(5) 0.1438(5) 0.0495(14) Uani 1 1 d . . .
C6 C -0.2820(5) -0.1031(5) 0.0547(4) 0.0488(14) Uani 1 1 d . . .
C7 C -0.3347(6) -0.1174(5) -0.0542(5) 0.0644(17) Uani 1 1 d . . .
H7 H -0.3445 -0.0520 -0.0722 0.077 Uiso 1 1 calc R . .
C8 C -0.3725(6) -0.2261(6) -0.1356(5) 0.0665(17) Uani 1 1 d . . .
H8 H -0.4071 -0.2337 -0.2099 0.080 Uiso 1 1 calc R . .
C9 C -0.3147(6) -0.3076(6) -0.0099(5) 0.0684(18) Uani 1 1 d . . .
H9 H -0.3089 -0.3744 0.0072 0.082 Uiso 1 1 calc R . .
C10 C -0.2734(6) -0.2033(5) 0.0741(5) 0.0644(17) Uani 1 1 d . . .
H10 H -0.2382 -0.1986 0.1472 0.077 Uiso 1 1 calc R . .
C11 C -0.0646(5) 0.3444(5) 0.3934(5) 0.0572(15) Uani 1 1 d . . .
H11A H -0.0458 0.3384 0.4686 0.069 Uiso 1 1 calc R . .
H11B H -0.1169 0.3988 0.3983 0.069 Uiso 1 1 calc R . .
C12 C 0.0473(5) 0.3897(5) 0.3614(4) 0.0505(14) Uani 1 1 d . . .
C13 C 0.1483(5) 0.3623(5) 0.3975(4) 0.0536(14) Uani 1 1 d . . .
H13 H 0.1491 0.3211 0.4473 0.064 Uiso 1 1 calc R . .
C14 C 0.2503(5) 0.3942(5) 0.3618(5) 0.0562(15) Uani 1 1 d . . .
H14 H 0.3196 0.3747 0.3891 0.067 Uiso 1 1 calc R . .
C15 C 0.1566(5) 0.4826(5) 0.2553(5) 0.0549(15) Uani 1 1 d . . .
C16 C 0.1597(7) 0.5433(6) 0.1812(6) 0.075(2) Uani 1 1 d . . .
H16 H 0.2301 0.5615 0.1565 0.090 Uiso 1 1 calc R . .
C17 C 0.0633(9) 0.5758(7) 0.1451(7) 0.095(3) Uani 1 1 d . . .
H17 H 0.0663 0.6161 0.0945 0.114 Uiso 1 1 calc R . .
C18 C -0.0388(8) 0.5514(7) 0.1806(8) 0.094(3) Uani 1 1 d . . .
H18 H -0.1051 0.5761 0.1549 0.113 Uiso 1 1 calc R . .
C19 C -0.0477(6) 0.4923(6) 0.2523(6) 0.0721(19) Uani 1 1 d . . .
H19 H -0.1195 0.4765 0.2757 0.086 Uiso 1 1 calc R . .
C20 C 0.0497(5) 0.4552(5) 0.2913(5) 0.0558(15) Uani 1 1 d . . .
C21 C 0.0496(6) 0.1574(5) 0.0894(5) 0.0626(16) Uani 1 1 d . . .
H21 H 0.0939 0.2057 0.1626 0.075 Uiso 1 1 calc R . .
C22 C -0.0019(8) -0.2035(7) -0.0200(7) 0.087(2) Uani 1 1 d . . .
H22 H -0.0129 -0.2850 -0.0445 0.105 Uiso 1 1 calc R . .
C23 C -0.2529(6) 0.1124(6) 0.1319(5) 0.0640(17) Uani 1 1 d . . .
H23 H -0.3061 0.1072 0.0669 0.077 Uiso 1 1 calc R . .
C24 C 0.0813(6) -0.0192(7) 0.1234(5) 0.0675(18) Uani 1 1 d . . .
C25 C 0.0340(5) 0.0350(5) 0.0537(5) 0.0554(15) Uani 1 1 d . . .
C26A C 0.1753(17) 0.0350(18) 0.3321(11) 0.092(5) Uani 0.50 1 d PDU A 1
H26A H 0.1110 -0.0205 0.3407 0.110 Uiso 0.50 1 calc PR A 1
H26B H 0.1965 0.1067 0.4004 0.110 Uiso 0.50 1 calc PR A 1
C27A C 0.2819(15) -0.0174(17) 0.308(2) 0.119(5) Uani 0.50 1 d PDU A 1
H27A H 0.2907 -0.0725 0.3464 0.142 Uiso 0.50 1 calc PR A 1
H27B H 0.2758 -0.0571 0.2255 0.142 Uiso 0.50 1 calc PR A 1
C28A C 0.488(2) 0.055(3) 0.306(3) 0.170(7) Uani 0.50 1 d PDU A 1
H28A H 0.4613 0.0190 0.2232 0.204 Uiso 0.50 1 calc PR A 1
H28B H 0.5467 0.1274 0.3222 0.204 Uiso 0.50 1 calc PR A 1
C29A C 0.552(2) -0.024(2) 0.343(3) 0.174(8) Uani 0.50 1 d PDU A 1
H29A H 0.5747 0.0053 0.4269 0.208 Uiso 0.50 1 calc PR A 1
H29B H 0.6238 -0.0286 0.3119 0.208 Uiso 0.50 1 calc PR A 1
C26B C 0.184(2) -0.0109(13) 0.2883(15) 0.117(6) Uani 0.50 1 d PDU B 2
H26C H 0.2104 -0.0751 0.2359 0.141 Uiso 0.50 1 calc PR B 2
H26D H 0.1180 -0.0446 0.3158 0.141 Uiso 0.50 1 calc PR B 2
C27B C 0.2827(16) 0.059(2) 0.3868(16) 0.137(6) Uani 0.50 1 d PDU B 2
H27C H 0.3054 0.0144 0.4334 0.164 Uiso 0.50 1 calc PR B 2
H27D H 0.2647 0.1312 0.4352 0.164 Uiso 0.50 1 calc PR B 2
C28B C 0.477(2) 0.052(3) 0.382(2) 0.160(7) Uani 0.50 1 d PDU B 2
H28C H 0.5333 0.1230 0.4355 0.192 Uiso 0.50 1 calc PR B 2
H28D H 0.4507 0.0023 0.4229 0.192 Uiso 0.50 1 calc PR B 2
C29B C 0.531(3) -0.010(3) 0.2860(17) 0.173(8) Uani 0.50 1 d PDU B 2
H29C H 0.6130 0.0322 0.3019 0.207 Uiso 0.50 1 calc PR B 2
H29D H 0.5325 -0.0868 0.2902 0.207 Uiso 0.50 1 calc PR B 2
C30 C 0.6206(7) 0.6400(6) 0.2575(6) 0.0750(19) Uani 1 1 d . . .
H30A H 0.5905 0.6810 0.2099 0.090 Uiso 1 1 calc R . .
H30B H 0.7069 0.6547 0.2666 0.090 Uiso 1 1 calc R . .
C31 C 0.5883(8) 0.6835(7) 0.3712(6) 0.089(2) Uani 1 1 d . . .
H31A H 0.6278 0.6512 0.4226 0.107 Uiso 1 1 calc R . .
H31B H 0.6132 0.7687 0.4052 0.107 Uiso 1 1 calc R . .
N6 N 0.6365(5) 0.3774(5) 0.4078(5) 0.0694(15) Uani 1 1 d . . .
O4 O 0.6897(5) 0.3331(5) 0.4653(5) 0.0896(15) Uani 1 1 d . . .
O5 O 0.5368(5) 0.3874(6) 0.4143(5) 0.110(2) Uani 1 1 d . . .
O6 O 0.6899(5) 0.4208(5) 0.3483(5) 0.1002(17) Uani 1 1 d . . .
N7 N 0.9458(8) 0.8047(7) 0.3822(6) 0.126(3) Uani 1 1 d DU . .
O8 O 1.0549(8) 0.8104(14) 0.4138(8) 0.269(7) Uani 1 1 d DU . .
O7 O 0.9155(6) 0.8051(5) 0.2882(5) 0.119(2) Uani 1 1 d DU . .
O9 O 0.8929(7) 0.7654(7) 0.4339(6) 0.146(3) Uani 1 1 d DU . .
N8 N 0.3645(8) 0.6724(7) 0.0325(8) 0.103(2) Uani 1 1 d . . .
O10 O 0.3901(7) 0.5884(6) 0.0325(5) 0.122(2) Uani 1 1 d . . .
O11 O 0.3575(12) 0.7019(11) -0.0395(11) 0.236(6) Uani 1 1 d . . .
O12 O 0.3589(12) 0.7437(9) 0.1276(12) 0.249(6) Uani 1 1 d . . .
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
_geom_angle_publ_flag
N4 Pd1 N3 93.88(19) . . ?
N4 Pd1 N5 83.5(2) . . ?
N3 Pd1 N5 174.5(2) . . ?
N4 Pd1 N1 175.15(19) . 2 ?
N3 Pd1 N1 90.14(18) . 2 ?
N5 Pd1 N1 92.7(2) . 2 ?
C24 O1 C26B 105.4(8) . . ?
C24 O1 C26A 127.3(10) . . ?
C26B O1 C26A 27.4(9) . . ?
C27A O2A C28A 107(2) . . ?
C27B O2B C28B 100.2(18) . . ?
C9 N1 C8 116.4(5) . . ?
C9 N1 Pd1 120.7(4) . 2 ?
C8 N1 Pd1 122.8(4) . 2 ?
C1 N2 C2 119.2(5) . . ?
C1 N2 C11 119.9(5) . . ?
C2 N2 C11 120.9(5) . . ?
C14 N3 C15 118.7(5) . . ?
C14 N3 Pd1 118.3(4) . . ?
C15 N3 Pd1 123.0(4) . . ?
C31 N4 Pd1 108.4(4) . . ?
C30 N5 Pd1 109.0(4) . . ?
N2 C1 C4 122.1(6) . . ?
N2 C2 C23 121.3(6) . . ?
C24 C3 C22 119.7(7) . . ?
C1 C4 C5 120.2(6) . . ?
C4 C5 C23 117.0(5) . . ?
C4 C5 C6 121.8(5) . . ?
C23 C5 C6 121.2(5) . . ?
C10 C6 C7 116.2(5) . . ?
C10 C6 C5 121.0(5) . . ?
C7 C6 C5 122.6(5) . . ?
C8 C7 C6 119.8(6) . . ?
N1 C8 C7 123.3(6) . . ?
N1 C9 C10 123.8(6) . . ?
C9 C10 C6 120.6(6) . . ?
N2 C11 C12 110.1(4) . . ?
C13 C12 C20 118.6(5) . . ?
C13 C12 C11 119.0(5) . . ?
C20 C12 C11 122.4(5) . . ?
C12 C13 C14 120.5(5) . . ?
N3 C14 C13 123.0(6) . . ?
N3 C15 C16 119.8(6) . . ?
N3 C15 C20 121.0(5) . . ?
C16 C15 C20 119.1(6) . . ?
C17 C16 C15 120.5(7) . . ?
C16 C17 C18 120.7(8) . . ?
C19 C18 C17 121.8(7) . . ?
C18 C19 C20 119.8(7) . . ?
C19 C20 C12 123.7(6) . . ?
C19 C20 C15 118.2(6) . . ?
C12 C20 C15 118.1(5) . . ?
C22 C21 C25 119.8(6) 2 . ?
C21 C22 C3 121.5(7) 2 . ?
C2 C23 C5 120.1(6) . . ?
C3 C24 O1 125.6(7) . . ?
C3 C24 C25 121.6(7) . . ?
O1 C24 C25 112.8(6) . . ?
C25 C25 C24 118.2(8) 2 . ?
C25 C25 C21 119.2(8) 2 . ?
C24 C25 C21 122.6(6) . . ?
O1 C26A C27A 100.3(11) . . ?
O2A C27A C26A 102.1(17) . . ?
C29A C28A O2A 120(3) . . ?
C28A C29A O3A 108(2) . . ?
O1 C26B C27B 111.4(14) . . ?
C26B C27B O2B 98(2) . . ?
C29B C28B O2B 102(2) . . ?
O3B C29B C28B 122(2) . . ?
N5 C30 C31 108.9(5) . . ?
N4 C31 C30 107.8(6) . . ?
O5 N6 O4 121.3(6) . . ?
O5 N6 O6 119.6(7) . . ?
O4 N6 O6 118.9(6) . . ?
O9 N7 O7 129.3(8) . . ?
O9 N7 O8 109.5(9) . . ?
O7 N7 O8 116.3(9) . . ?
O11 N8 O10 125.9(10) . . ?
O11 N8 O12 117.0(11) . . ?
O10 N8 O12 116.4(11) . . ?
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 N4 2.031(5) . ?
Pd1 N3 2.038(5) . ?
Pd1 N5 2.037(5) . ?
Pd1 N1 2.041(5) 2 ?
O1 C24 1.386(8) . ?
O1 C26B 1.442(5) . ?
O1 C26A 1.472(11) . ?
O3A C29A 1.522(17) . ?
O2A C27A 1.521(17) . ?
O2A C28A 1.540(17) . ?
O3B C29B 1.501(16) . ?
O2B C27B 1.504(16) . ?
O2B C28B 1.525(16) . ?
N1 C9 1.335(7) . ?
N1 C8 1.343(8) . ?
N1 Pd1 2.041(5) 2 ?
N2 C1 1.337(8) . ?
N2 C2 1.337(8) . ?
N2 C11 1.502(7) . ?
N3 C14 1.322(7) . ?
N3 C15 1.369(7) . ?
N4 C31 1.466(10) . ?
N5 C30 1.451(8) . ?
C1 C4 1.353(8) . ?
C2 C23 1.368(8) . ?
C3 C24 1.342(10) . ?
C3 C22 1.403(11) . ?
C4 C5 1.386(8) . ?
C5 C23 1.392(8) . ?
C5 C6 1.486(8) . ?
C6 C10 1.387(8) . ?
C6 C7 1.387(8) . ?
C7 C8 1.371(8) . ?
C9 C10 1.350(8) . ?
C11 C12 1.516(8) . ?
C12 C13 1.361(8) . ?
C12 C20 1.412(8) . ?
C13 C14 1.391(8) . ?
C15 C16 1.407(9) . ?
C15 C20 1.431(8) . ?
C16 C17 1.350(10) . ?
C17 C18 1.370(11) . ?
C18 C19 1.369(10) . ?
C19 C20 1.406(9) . ?
C21 C22 1.331(10) 2 ?
C21 C25 1.428(9) . ?
C22 C21 1.331(10) 2 ?
C24 C25 1.409(9) . ?
C25 C25 1.402(11) 2 ?
C26A C27A 1.538(5) . ?
C28A C29A 1.503(18) . ?
C26B C27B 1.499(14) . ?
C28B C29B 1.497(18) . ?
C30 C31 1.499(9) . ?
N6 O5 1.217(7) . ?
N6 O4 1.233(7) . ?
N6 O6 1.256(7) . ?
N7 O9 1.143(7) . ?
N7 O7 1.211(7) . ?
N7 O8 1.281(9) . ?
N8 O11 1.105(10) . ?
N8 O10 1.151(8) . ?
N8 O12 1.265(11) . ?
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
N4 Pd1 N3 C14 -98.6(5) . . . . ?
N5 Pd1 N3 C14 -37(2) . . . . ?
N1 Pd1 N3 C14 84.1(4) 2 . . . ?
N4 Pd1 N3 C15 82.7(5) . . . . ?
N5 Pd1 N3 C15 144(2) . . . . ?
N1 Pd1 N3 C15 -94.6(5) 2 . . . ?
N3 Pd1 N4 C31 158.7(5) . . . . ?
N5 Pd1 N4 C31 -16.5(5) . . . . ?
N1 Pd1 N4 C31 -55(3) 2 . . . ?
N4 Pd1 N5 C30 -11.9(4) . . . . ?
N3 Pd1 N5 C30 -74(2) . . . . ?
N1 Pd1 N5 C30 165.0(4) 2 . . . ?
C2 N2 C1 C4 1.0(9) . . . . ?
C11 N2 C1 C4 -177.2(5) . . . . ?
C1 N2 C2 C23 -0.8(9) . . . . ?
C11 N2 C2 C23 177.5(5) . . . . ?
N2 C1 C4 C5 0.1(9) . . . . ?
C1 C4 C5 C23 -1.5(9) . . . . ?
C1 C4 C5 C6 178.4(5) . . . . ?
C4 C5 C6 C10 10.8(8) . . . . ?
C23 C5 C6 C10 -169.4(6) . . . . ?
C4 C5 C6 C7 -164.2(6) . . . . ?
C23 C5 C6 C7 15.6(8) . . . . ?
C10 C6 C7 C8 -1.3(9) . . . . ?
C5 C6 C7 C8 173.9(6) . . . . ?
C9 N1 C8 C7 0.4(9) . . . . ?
Pd1 N1 C8 C7 -175.4(5) 2 . . . ?
C6 C7 C8 N1 1.1(10) . . . . ?
C8 N1 C9 C10 -1.7(10) . . . . ?
Pd1 N1 C9 C10 174.2(5) 2 . . . ?
N1 C9 C10 C6 1.5(10) . . . . ?
C7 C6 C10 C9 0.1(9) . . . . ?
C5 C6 C10 C9 -175.2(6) . . . . ?
C1 N2 C11 C12 91.6(6) . . . . ?
C2 N2 C11 C12 -86.6(6) . . . . ?
N2 C11 C12 C13 -88.4(6) . . . . ?
N2 C11 C12 C20 88.7(6) . . . . ?
C20 C12 C13 C14 -2.6(8) . . . . ?
C11 C12 C13 C14 174.6(5) . . . . ?
C15 N3 C14 C13 2.4(9) . . . . ?
Pd1 N3 C14 C13 -176.4(4) . . . . ?
C12 C13 C14 N3 -0.7(9) . . . . ?
C14 N3 C15 C16 179.6(6) . . . . ?
Pd1 N3 C15 C16 -1.7(8) . . . . ?
C14 N3 C15 C20 -0.6(8) . . . . ?
Pd1 N3 C15 C20 178.1(4) . . . . ?
N3 C15 C16 C17 -179.8(7) . . . . ?
C20 C15 C16 C17 0.4(10) . . . . ?
C15 C16 C17 C18 0.6(12) . . . . ?
C16 C17 C18 C19 -0.9(13) . . . . ?
C17 C18 C19 C20 0.0(12) . . . . ?
C18 C19 C20 C12 -177.2(6) . . . . ?
C18 C19 C20 C15 1.0(9) . . . . ?
C13 C12 C20 C19 -177.5(6) . . . . ?
C11 C12 C20 C19 5.4(9) . . . . ?
C13 C12 C20 C15 4.2(8) . . . . ?
C11 C12 C20 C15 -172.9(5) . . . . ?
N3 C15 C20 C19 179.0(5) . . . . ?
C16 C15 C20 C19 -1.2(8) . . . . ?
N3 C15 C20 C12 -2.7(8) . . . . ?
C16 C15 C20 C12 177.1(5) . . . . ?
C24 C3 C22 C21 -0.9(13) . . . 2 ?
N2 C2 C23 C5 -0.6(10) . . . . ?
C4 C5 C23 C2 1.7(9) . . . . ?
C6 C5 C23 C2 -178.2(5) . . . . ?
C22 C3 C24 O1 179.9(7) . . . . ?
C22 C3 C24 C25 0.3(12) . . . . ?
C26B O1 C24 C3 -0.5(15) . . . . ?
C26A O1 C24 C3 -19.2(13) . . . . ?
C26B O1 C24 C25 179.1(13) . . . . ?
C26A O1 C24 C25 160.4(9) . . . . ?
C3 C24 C25 C25 1.1(11) . . . 2 ?
O1 C24 C25 C25 -178.5(6) . . . 2 ?
C3 C24 C25 C21 179.0(7) . . . . ?
O1 C24 C25 C21 -0.6(8) . . . . ?
C22 C21 C25 C25 -1.5(10) 2 . . 2 ?
C22 C21 C25 C24 -179.4(6) 2 . . . ?
C24 O1 C26A C27A 80.4(17) . . . . ?
C26B O1 C26A C27A 38(3) . . . . ?
C28A O2A C27A C26A -163(2) . . . . ?
O1 C26A C27A O2A 90(2) . . . . ?
C27A O2A C28A C29A -71(4) . . . . ?
O2A C28A C29A O3A 68(4) . . . . ?
C24 O1 C26B C27B 162.3(17) . . . . ?
C26A O1 C26B C27B -51(2) . . . . ?
O1 C26B C27B O2B -68(3) . . . . ?
C28B O2B C27B C26B -133(2) . . . . ?
C27B O2B C28B C29B 140(3) . . . . ?
O2B C28B C29B O3B 0(4) . . . . ?
Pd1 N5 C30 C31 37.7(7) . . . . ?
Pd1 N4 C31 C30 41.0(7) . . . . ?
N5 C30 C31 N4 -52.5(8) . . . . ?
