#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:22:22 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179243 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/63/4316371.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_4316371
loop_
_publ_author_name
'Guo-Hong Ning'
'Liao-Yuan Yao'
'Li-Xia Liu'
'Ting-Zheng Xie'
'Yi-Zhi Li'
'Yu Qin'
'Yuan-Jiang Pan'
'Shu-Yan Yu'
_publ_section_title
;
 Self-Assembly and Host-Guest Interaction of Metallomacrocycles Using
 Fluorescent Dipyrazole Linker with Dimetallic Clips
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7783
_journal_page_last               7792
_journal_paper_doi               10.1021/ic100724r
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C92 H80 N16 Pd4, 4(F6 P), 8(C2 H3 N), H2 O'
_chemical_formula_sum            'C108 H106 F24 N24 O P4 Pd4'
_chemical_formula_weight         2761.65
_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                 103.0340(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   38.8468(8)
_cell_length_b                   12.6578(2)
_cell_length_c                   25.2201(4)
_cell_measurement_reflns_used    5719
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      23.72
_cell_measurement_theta_min      2.13
_cell_volume                     12081.6(4)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0523
_diffrn_reflns_av_sigmaI/netI    0.0492
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -47
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            47954
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.08
_exptl_absorpt_coefficient_mu    0.733
_exptl_absorpt_correction_T_max  0.8554
_exptl_absorpt_correction_T_min  0.8212
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_density_diffrn    1.518
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5560
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.352
_refine_diff_density_min         -0.580
_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     752
_refine_ls_number_reflns         11874
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0688
_refine_ls_R_factor_gt           0.0495
_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)+(0.08P)²+1.99P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1279
_refine_ls_wR_factor_ref         0.1338
_reflns_number_gt                9062
_reflns_number_total             11874
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic100724r_si_004.cif
_cod_data_source_block           a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'C 1 2/c 1 '
_cod_database_code               4316371
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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.11902(10) 0.5892(3) 0.41517(16) 0.0407(9) Uani 1 1 d . . .
H1 H 0.1183 0.6565 0.4297 0.049 Uiso 1 1 calc R . .
C2 C 0.12176(12) 0.5052(3) 0.44917(18) 0.0473(10) Uani 1 1 d . . .
H2 H 0.1246 0.5152 0.4864 0.057 Uiso 1 1 calc R . .
C3 C 0.12019(11) 0.4031(3) 0.42739(16) 0.0409(9) Uani 1 1 d . . .
H3 H 0.1205 0.3440 0.4494 0.049 Uiso 1 1 calc R . .
C4 C 0.11812(11) 0.3928(3) 0.37192(16) 0.0409(9) Uani 1 1 d . . .
H4 H 0.1171 0.3262 0.3561 0.049 Uiso 1 1 calc R . .
C5 C 0.11761(10) 0.4819(3) 0.34071(15) 0.0377(9) Uani 1 1 d . . .
C6 C 0.11982(10) 0.4798(3) 0.28287(15) 0.0382(9) Uani 1 1 d . . .
C7 C 0.12238(11) 0.3897(3) 0.25289(16) 0.0402(9) Uani 1 1 d . . .
H7 H 0.1215 0.3238 0.2689 0.048 Uiso 1 1 calc R . .
C8 C 0.12604(11) 0.3947(3) 0.20162(16) 0.0409(9) Uani 1 1 d . . .
H8 H 0.1256 0.3337 0.1810 0.049 Uiso 1 1 calc R . .
C9 C 0.13048(11) 0.4937(3) 0.17972(17) 0.0455(10) Uani 1 1 d . . .
H9 H 0.1356 0.4992 0.1455 0.055 Uiso 1 1 calc R . .
C10 C 0.12714(11) 0.5853(3) 0.21003(16) 0.0421(9) Uani 1 1 d . . .
H10 H 0.1289 0.6516 0.1950 0.051 Uiso 1 1 calc R . .
C11 C 0.20330(10) 0.8906(3) 0.45384(16) 0.0374(9) Uani 1 1 d . . .
H11 H 0.1809 0.8793 0.4603 0.045 Uiso 1 1 calc R . .
C12 C 0.23123(12) 0.9016(3) 0.49616(19) 0.0537(12) Uani 1 1 d . . .
H12 H 0.2278 0.8957 0.5314 0.064 Uiso 1 1 calc R . .
C13 C 0.26386(11) 0.9207(3) 0.48908(16) 0.0471(11) Uani 1 1 d . . .
H13 H 0.2829 0.9313 0.5185 0.057 Uiso 1 1 calc R . .
C14 C 0.26786(10) 0.9240(3) 0.43659(16) 0.0417(9) Uani 1 1 d . . .
H14 H 0.2902 0.9364 0.4301 0.050 Uiso 1 1 calc R . .
C15 C 0.24022(11) 0.9096(3) 0.39395(17) 0.0447(10) Uani 1 1 d . . .
C16 C 0.24259(11) 0.8986(4) 0.33646(18) 0.0458(10) Uani 1 1 d . . .
C17 C 0.27347(12) 0.8956(3) 0.31873(18) 0.0460(10) Uani 1 1 d . . .
H17 H 0.2948 0.9104 0.3428 0.055 Uiso 1 1 calc R . .
C18 C 0.27302(11) 0.8716(3) 0.26684(17) 0.0436(10) Uani 1 1 d . . .
H18 H 0.2941 0.8711 0.2552 0.052 Uiso 1 1 calc R . .
C19 C 0.24230(11) 0.8480(4) 0.23103(19) 0.0479(10) Uani 1 1 d . . .
H19 H 0.2420 0.8280 0.1954 0.057 Uiso 1 1 calc R . .
C20 C 0.21139(11) 0.8549(4) 0.24978(17) 0.0450(10) Uani 1 1 d . . .
H20 H 0.1899 0.8407 0.2258 0.054 Uiso 1 1 calc R . .
C21 C 0.05953(11) 0.7523(3) 0.17906(17) 0.0463(10) Uani 1 1 d . . .
H21A H 0.0398 0.7909 0.1583 0.069 Uiso 1 1 calc R . .
H21B H 0.0528 0.7185 0.2093 0.069 Uiso 1 1 calc R . .
H21C H 0.0668 0.6999 0.1564 0.069 Uiso 1 1 calc R . .
C22 C 0.08940(10) 0.8265(3) 0.19971(15) 0.0363(8) Uani 1 1 d . . .
C23 C 0.10092(10) 0.9169(3) 0.17872(15) 0.0367(8) Uani 1 1 d . . .
C24 C 0.09007(11) 0.9679(4) 0.12059(15) 0.0442(10) Uani 1 1 d . . .
H24A H 0.0984 1.0404 0.1222 0.053 Uiso 1 1 calc R . .
H24B H 0.1012 0.9294 0.0957 0.053 Uiso 1 1 calc R . .
C25 C 0.12878(10) 0.9549(3) 0.21838(15) 0.0362(8) Uani 1 1 d . . .
C26 C 0.15125(11) 1.0552(3) 0.21819(17) 0.0423(9) Uani 1 1 d . . .
H26A H 0.1409 1.1127 0.2339 0.063 Uiso 1 1 calc R . .
H26B H 0.1521 1.0725 0.1814 0.063 Uiso 1 1 calc R . .
H26C H 0.1748 1.0428 0.2391 0.063 Uiso 1 1 calc R . .
C27 C 0.04779(11) 0.7532(3) 0.37668(17) 0.0461(10) Uani 1 1 d . . .
H27A H 0.0522 0.6934 0.3557 0.069 Uiso 1 1 calc R . .
H27B H 0.0266 0.7881 0.3580 0.069 Uiso 1 1 calc R . .
H27C H 0.0450 0.7297 0.4117 0.069 Uiso 1 1 calc R . .
C28 C 0.07875(9) 0.8297(3) 0.38408(15) 0.0355(8) Uani 1 1 d . . .
C29 C 0.08494(10) 0.9222(3) 0.41539(15) 0.0363(8) Uani 1 1 d . . .
C30 C 0.11627(9) 0.9597(3) 0.40394(14) 0.0331(8) Uani 1 1 d . . .
C31 C 0.13609(11) 1.0607(3) 0.42364(16) 0.0425(9) Uani 1 1 d . . .
H31A H 0.1535 1.0738 0.4027 0.064 Uiso 1 1 calc R . .
H31B H 0.1476 1.0536 0.4614 0.064 Uiso 1 1 calc R . .
H31C H 0.1198 1.1187 0.4192 0.064 Uiso 1 1 calc R . .
C32 C 0.06665(10) 0.9720(4) 0.45608(15) 0.0433(10) Uani 1 1 d . . .
H32A H 0.0737 0.9354 0.4906 0.052 Uiso 1 1 calc R . .
H32B H 0.0742 1.0450 0.4618 0.052 Uiso 1 1 calc R . .
C33 C 0.02703(10) 0.9683(3) 0.43747(15) 0.0374(8) Uani 1 1 d . . .
C34 C 0.00536(11) 0.8950(3) 0.45671(16) 0.0402(9) Uani 1 1 d . . .
C35 C 0.01746(12) 0.8126(3) 0.49333(17) 0.0459(10) Uani 1 1 d . . .
H35 H 0.0420 0.8075 0.5019 0.055 Uiso 1 1 calc R . .
C36 C 0.00162(12) 0.7362(4) 0.52015(18) 0.0537(11) Uani 1 1 d . . .
H36 H 0.0139 0.6923 0.5475 0.064 Uiso 1 1 calc R . .
C37 C -0.03524(11) 0.7341(3) 0.50046(16) 0.0460(10) Uani 1 1 d . . .
H37 H -0.0502 0.6872 0.5127 0.055 Uiso 1 1 calc R . .
C38 C -0.04688(15) 0.8097(4) 0.46071(19) 0.0572(12) Uani 1 1 d . . .
H38 H -0.0708 0.8021 0.4447 0.069 Uiso 1 1 calc R . .
C39 C -0.03166(11) 0.8953(3) 0.43840(15) 0.0409(9) Uani 1 1 d . . .
C40 C -0.05072(10) 0.9663(3) 0.40042(15) 0.0373(8) Uani 1 1 d . . .
C41 C -0.02894(11) 1.0408(4) 0.38370(16) 0.0449(10) Uani 1 1 d . . .
C42 C -0.04163(14) 1.1238(4) 0.34620(18) 0.0542(12) Uani 1 1 d . . .
H42 H -0.0657 1.1182 0.3308 0.065 Uiso 1 1 calc R . .
C43 C -0.02611(12) 1.2121(4) 0.3271(2) 0.0541(12) Uani 1 1 d . . .
H43 H -0.0385 1.2657 0.3057 0.065 Uiso 1 1 calc R . .
C44 C 0.01085(11) 1.2075(3) 0.34524(16) 0.0413(9) Uani 1 1 d . . .
H44 H 0.0251 1.2603 0.3360 0.050 Uiso 1 1 calc R . .
C45 C 0.02577(14) 1.1214(3) 0.37756(19) 0.0528(11) Uani 1 1 d . . .
H45 H 0.0502 1.1150 0.3837 0.063 Uiso 1 1 calc R . .
C46 C 0.00828(10) 1.0430(3) 0.40203(16) 0.0391(9) Uani 1 1 d . . .
C47 C 0.07490(12) 0.0880(3) 0.28791(17) 0.0452(10) Uani 1 1 d . . .
C48 C 0.05162(11) -0.0002(3) 0.27519(16) 0.0440(10) Uani 1 1 d . . .
H48A H 0.0634 -0.0629 0.2914 0.066 Uiso 1 1 calc R . .
H48B H 0.0449 -0.0090 0.2364 0.066 Uiso 1 1 calc R . .
H48C H 0.0309 0.0119 0.2892 0.066 Uiso 1 1 calc R . .
C49 C 0.20574(11) 0.2497(4) 0.37849(18) 0.0474(10) Uani 1 1 d . . .
C50 C 0.22121(11) 0.2664(4) 0.43597(17) 0.0481(10) Uani 1 1 d . . .
H50A H 0.2309 0.2012 0.4522 0.072 Uiso 1 1 calc R . .
H50B H 0.2033 0.2908 0.4538 0.072 Uiso 1 1 calc R . .
H50C H 0.2396 0.3183 0.4399 0.072 Uiso 1 1 calc R . .
C51 C 0.01607(12) 0.4977(3) 0.60792(18) 0.0466(10) Uani 1 1 d . . .
C52 C 0.04232(11) 0.5015(3) 0.57509(17) 0.0448(10) Uani 1 1 d . . .
H52C H 0.0312 0.4863 0.5379 0.054 Uiso 1 1 calc R . .
H52A H 0.0604 0.4502 0.5883 0.054 Uiso 1 1 calc R . .
H52B H 0.0527 0.5708 0.5774 0.054 Uiso 1 1 calc R . .
C53 C 0.27768(12) 0.9155(3) 0.65386(18) 0.0465(10) Uani 1 1 d . . .
C54 C 0.25088(11) 0.8925(3) 0.68483(19) 0.0522(12) Uani 1 1 d . . .
H54A H 0.2618 0.8905 0.7230 0.078 Uiso 1 1 calc R . .
H54B H 0.2402 0.8253 0.6737 0.078 Uiso 1 1 calc R . .
H54C H 0.2331 0.9466 0.6781 0.078 Uiso 1 1 calc R . .
F11 F 0.15446(7) 0.7649(2) 0.12439(10) 0.0525(6) Uani 1 1 d . . .
F12 F 0.14329(6) 0.63636(19) 0.07104(10) 0.0469(6) Uani 1 1 d . . .
F13 F 0.18568(6) 0.67226(19) 0.03816(10) 0.0489(6) Uani 1 1 d . . .
F14 F 0.20094(6) 0.79582(19) 0.09425(10) 0.0530(6) Uani 1 1 d . . .
F15 F 0.19211(7) 0.6536(2) 0.12863(10) 0.0551(6) Uani 1 1 d . . .
F16 F 0.14754(6) 0.78328(18) 0.03853(10) 0.0453(6) Uani 1 1 d . . .
F21 F 0.35818(6) 0.62027(18) 0.45290(10) 0.0450(6) Uani 1 1 d . . .
F22 F 0.33529(6) 0.76789(19) 0.48105(9) 0.0447(6) Uani 1 1 d . . .
F23 F 0.35470(6) 0.86200(18) 0.42259(10) 0.0486(6) Uani 1 1 d . . .
F24 F 0.38287(6) 0.71911(18) 0.40191(9) 0.0447(5) Uani 1 1 d . . .
F25 F 0.39035(6) 0.76498(19) 0.48447(10) 0.0471(6) Uani 1 1 d . . .
F26 F 0.32561(6) 0.72502(19) 0.39326(10) 0.0508(6) Uani 1 1 d . . .
N1 N 0.11730(8) 0.5801(3) 0.36200(13) 0.0390(7) Uani 1 1 d . . .
N2 N 0.12158(8) 0.5773(2) 0.25973(12) 0.0347(7) Uani 1 1 d . . .
N3 N 0.20744(9) 0.8957(3) 0.40213(13) 0.0404(8) Uani 1 1 d . . .
N4 N 0.21142(9) 0.8809(3) 0.30041(14) 0.0424(8) Uani 1 1 d . . .
N5 N 0.10994(8) 0.8112(2) 0.25008(13) 0.0382(7) Uani 1 1 d . . .
N6 N 0.13439(9) 0.8911(3) 0.26148(14) 0.0408(8) Uani 1 1 d . . .
N7 N 0.10428(9) 0.8129(3) 0.35833(13) 0.0384(7) Uani 1 1 d . . .
N8 N 0.12762(9) 0.8946(3) 0.37021(14) 0.0418(8) Uani 1 1 d . . .
N9 N 0.09435(10) 0.1576(3) 0.29818(14) 0.0456(8) Uani 1 1 d . . .
N10 N 0.19332(10) 0.2348(3) 0.33248(16) 0.0549(10) Uani 1 1 d . . .
N12 N 0.29888(10) 0.9373(3) 0.63030(14) 0.0492(9) Uani 1 1 d . . .
N13 N -0.00468(10) 0.4941(3) 0.63545(16) 0.0508(9) Uani 1 1 d . . .
O1 O 0.0000 0.4907(3) 0.7500 0.0532(11) Uani 1 2 d S . .
H1D H 0.0096 0.4985 0.7231 0.064 Uiso 0.50 1 d PR . .
H1C H 0.0159 0.4814 0.7788 0.064 Uiso 0.50 1 d PR . .
P1 P 0.17063(3) 0.72055(9) 0.08292(5) 0.0441(3) Uani 1 1 d . . .
P2 P 0.35634(3) 0.74144(9) 0.43755(4) 0.0426(2) Uani 1 1 d . . .
Pd1 Pd 0.112948(8) 0.69870(2) 0.307368(12) 0.03933(10) Uani 1 1 d . . .
Pd2 Pd 0.168977(8) 0.89095(3) 0.333340(13) 0.04041(10) 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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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
N1 C1 C2 123.2(4) . . ?
N1 C1 H1 118.4 . . ?
C2 C1 H1 118.4 . . ?
C1 C2 C3 119.1(4) . . ?
C1 C2 H2 120.5 . . ?
C3 C2 H2 120.5 . . ?
C4 C3 C2 118.0(3) . . ?
C4 C3 H3 121.0 . . ?
C2 C3 H3 121.0 . . ?
C5 C4 C3 119.3(4) . . ?
C5 C4 H4 120.3 . . ?
C3 C4 H4 120.3 . . ?
N1 C5 C4 121.8(3) . . ?
N1 C5 C6 114.5(3) . . ?
C4 C5 C6 123.6(4) . . ?
N2 C6 C7 119.4(3) . . ?
N2 C6 C5 114.9(3) . . ?
C7 C6 C5 125.5(3) . . ?
C8 C7 C6 121.8(4) . . ?
C8 C7 H7 119.1 . . ?
C6 C7 H7 119.1 . . ?
C7 C8 C9 118.5(4) . . ?
C7 C8 H8 120.8 . . ?
C9 C8 H8 120.8 . . ?
C8 C9 C10 119.2(4) . . ?
C8 C9 H9 120.4 . . ?
C10 C9 H9 120.4 . . ?
N2 C10 C9 120.3(4) . . ?
N2 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
C12 C11 N3 120.7(4) . . ?
C12 C11 H11 119.7 . . ?
N3 C11 H11 119.7 . . ?
C13 C12 C11 122.0(5) . . ?
C13 C12 H12 119.0 . . ?
C11 C12 H12 119.0 . . ?
C12 C13 C14 116.8(4) . . ?
C12 C13 H13 121.6 . . ?
C14 C13 H13 121.6 . . ?
C15 C14 C13 121.6(4) . . ?
C15 C14 H14 119.2 . . ?
C13 C14 H14 119.2 . . ?
N3 C15 C14 120.4(4) . . ?
N3 C15 C16 114.1(3) . . ?
C14 C15 C16 125.4(4) . . ?
N4 C16 C17 119.3(4) . . ?
N4 C16 C15 115.4(4) . . ?
C17 C16 C15 125.0(4) . . ?
C18 C17 C16 120.3(4) . . ?
C18 C17 H17 119.8 . . ?
C16 C17 H17 119.8 . . ?
C17 C18 C19 121.0(4) . . ?
C17 C18 H18 119.5 . . ?
C19 C18 H18 119.5 . . ?
C18 C19 C20 117.2(4) . . ?
C18 C19 H19 121.4 . . ?
C20 C19 H19 121.4 . . ?
N4 C20 C19 122.2(4) . . ?
N4 C20 H20 118.9 . . ?
C19 C20 H20 118.9 . . ?
C22 C21 H21A 109.5 . . ?
C22 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C22 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N5 C22 C23 107.8(3) . . ?
N5 C22 C21 119.0(4) . . ?
C23 C22 C21 133.1(4) . . ?
C22 C23 C25 106.2(3) . . ?
C22 C23 C24 131.2(4) . . ?
C25 C23 C24 122.3(4) . . ?
C40 C24 C23 111.2(3) 2 . ?
C40 C24 H24A 109.4 2 . ?
C23 C24 H24A 109.4 . . ?
C40 C24 H24B 109.4 2 . ?
C23 C24 H24B 109.4 . . ?
H24A C24 H24B 108.0 . . ?
N6 C25 C23 109.7(3) . . ?
N6 C25 C26 120.9(3) . . ?
C23 C25 C26 129.4(4) . . ?
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 . . ?
C28 C27 H27A 109.5 . . ?
C28 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C28 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
N7 C28 C29 111.0(3) . . ?
N7 C28 C27 119.9(3) . . ?
C29 C28 C27 129.1(4) . . ?
C30 C29 C28 102.4(3) . . ?
C30 C29 C32 124.3(3) . . ?
C28 C29 C32 133.1(4) . . ?
N8 C30 C29 110.6(3) . . ?
N8 C30 C31 121.0(3) . . ?
C29 C30 C31 128.4(3) . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C33 C32 C29 112.3(3) . . ?
C33 C32 H32A 109.1 . . ?
C29 C32 H32A 109.1 . . ?
C33 C32 H32B 109.1 . . ?
C29 C32 H32B 109.1 . . ?
H32A C32 H32B 107.9 . . ?
C46 C33 C34 113.7(3) . . ?
C46 C33 C32 122.0(4) . . ?
C34 C33 C32 124.1(4) . . ?
C35 C34 C39 112.6(4) . . ?
C35 C34 C33 125.4(4) . . ?
C39 C34 C33 122.0(4) . . ?
C36 C35 C34 135.5(4) . . ?
C36 C35 H35 112.2 . . ?
C34 C35 H35 112.2 . . ?
C35 C36 C37 111.5(4) . . ?
C35 C36 H36 124.3 . . ?
C37 C36 H36 124.3 . . ?
C38 C37 C36 112.5(5) . . ?
C38 C37 H37 123.8 . . ?
C36 C37 H37 123.8 . . ?
C37 C38 C39 136.2(5) . . ?
C37 C38 H38 111.9 . . ?
C39 C38 H38 111.9 . . ?
C40 C39 C34 124.8(4) . . ?
C40 C39 C38 124.2(4) . . ?
C34 C39 C38 110.9(4) . . ?
C41 C40 C39 112.2(4) . . ?
C41 C40 C24 121.5(4) . 2 ?
C39 C40 C24 126.2(4) . 2 ?
C40 C41 C46 124.0(4) . . ?
C40 C41 C42 123.8(4) . . ?
C46 C41 C42 112.2(4) . . ?
C43 C42 C41 134.6(5) . . ?
C43 C42 H42 112.7 . . ?
C41 C42 H42 112.7 . . ?
C42 C43 C44 109.9(4) . . ?
C42 C43 H43 125.0 . . ?
C44 C43 H43 125.0 . . ?
C45 C44 C43 118.6(4) . . ?
C45 C44 H44 120.7 . . ?
C43 C44 H44 120.7 . . ?
C44 C45 C46 128.2(4) . . ?
C44 C45 H45 115.9 . . ?
C46 C45 H45 115.9 . . ?
C33 C46 C41 123.1(4) . . ?
C33 C46 C45 121.5(4) . . ?
C41 C46 C45 115.2(4) . . ?
N9 C47 C48 178.4(5) . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
N10 C49 C50 179.1(5) . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
N13 C51 C52 178.7(5) . . ?
C51 C52 H52C 109.5 . . ?
C51 C52 H52A 109.5 . . ?
H52C C52 H52A 109.5 . . ?
C51 C52 H52B 109.5 . . ?
H52C C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
N12 C53 C54 177.5(5) . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C1 N1 C5 118.4(3) . . ?
C1 N1 Pd1 126.9(3) . . ?
C5 N1 Pd1 114.7(2) . . ?
C10 N2 C6 120.4(3) . . ?
C10 N2 Pd1 126.1(3) . . ?
C6 N2 Pd1 113.5(2) . . ?
C15 N3 C11 118.5(3) . . ?
C15 N3 Pd2 114.5(3) . . ?
C11 N3 Pd2 127.0(3) . . ?
C20 N4 C16 119.7(4) . . ?
C20 N4 Pd2 126.5(3) . . ?
C16 N4 Pd2 113.8(3) . . ?
C22 N5 N6 108.9(3) . . ?
C22 N5 Pd1 134.6(3) . . ?
N6 N5 Pd1 116.4(2) . . ?
C25 N6 N5 107.3(3) . . ?
C25 N6 Pd2 133.9(3) . . ?
N5 N6 Pd2 118.8(2) . . ?
C28 N7 N8 107.9(3) . . ?
C28 N7 Pd1 133.0(3) . . ?
N8 N7 Pd1 119.1(3) . . ?
C30 N8 N7 108.1(3) . . ?
C30 N8 Pd2 135.9(3) . . ?
N7 N8 Pd2 116.0(2) . . ?
H1D O1 H1C 109.5 . . ?
F11 P1 F12 90.96(16) . . ?
F11 P1 F14 93.80(17) . . ?
F12 P1 F14 173.67(16) . . ?
F11 P1 F16 92.88(14) . . ?
F12 P1 F16 87.09(14) . . ?
F14 P1 F16 96.81(14) . . ?
F11 P1 F13 177.10(16) . . ?
F12 P1 F13 86.49(15) . . ?
F14 P1 F13 88.84(15) . . ?
F16 P1 F13 85.61(15) . . ?
F11 P1 F15 85.51(15) . . ?
F12 P1 F15 89.91(15) . . ?
F14 P1 F15 86.32(15) . . ?
F16 P1 F15 176.57(16) . . ?
F13 P1 F15 95.87(15) . . ?
F26 P2 F24 93.85(15) . . ?
F26 P2 F22 95.86(14) . . ?
F24 P2 F22 170.27(15) . . ?
F26 P2 F23 88.43(14) . . ?
F24 P2 F23 91.97(14) . . ?
F22 P2 F23 87.75(14) . . ?
F26 P2 F21 91.92(14) . . ?
F24 P2 F21 88.02(13) . . ?
F22 P2 F21 92.19(14) . . ?
F23 P2 F21 179.64(18) . . ?
F26 P2 F25 176.99(16) . . ?
F24 P2 F25 85.14(14) . . ?
F22 P2 F25 85.13(13) . . ?
F23 P2 F25 88.76(13) . . ?
F21 P2 F25 90.88(13) . . ?
N7 Pd1 N5 87.66(13) . . ?
N7 Pd1 N1 95.66(13) . . ?
N5 Pd1 N1 176.55(13) . . ?
N7 Pd1 N2 176.50(12) . . ?
N5 Pd1 N2 95.82(13) . . ?
N1 Pd1 N2 80.86(13) . . ?
N7 Pd1 Pd2 62.08(9) . . ?
N5 Pd1 Pd2 62.64(9) . . ?
N1 Pd1 Pd2 118.21(10) . . ?
N2 Pd1 Pd2 119.85(9) . . ?
N6 Pd2 N4 94.11(14) . . ?
N6 Pd2 N3 174.49(13) . . ?
N4 Pd2 N3 80.79(14) . . ?
N6 Pd2 N8 88.61(14) . . ?
N4 Pd2 N8 176.42(13) . . ?
N3 Pd2 N8 96.57(14) . . ?
N6 Pd2 Pd1 62.12(10) . . ?
N4 Pd2 Pd1 116.49(11) . . ?
N3 Pd2 Pd1 122.05(9) . . ?
N8 Pd2 Pd1 62.86(9) . . ?
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 1.332(5) . ?
C1 C2 1.355(6) . ?
C1 H1 0.9300 . ?
C2 C3 1.400(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.389(6) . ?
C3 H3 0.9300 . ?
C4 C5 1.373(5) . ?
C4 H4 0.9300 . ?
C5 N1 1.355(5) . ?
C5 C6 1.481(5) . ?
C6 N2 1.374(5) . ?
C6 C7 1.384(5) . ?
C7 C8 1.334(6) . ?
C7 H7 0.9300 . ?
C8 C9 1.395(6) . ?
C8 H8 0.9300 . ?
C9 C10 1.411(6) . ?
C9 H9 0.9300 . ?
C10 N2 1.323(5) . ?
C10 H10 0.9300 . ?
C11 C12 1.347(6) . ?
C11 N3 1.351(5) . ?
C11 H11 0.9300 . ?
C12 C13 1.342(7) . ?
C12 H12 0.9300 . ?
C13 C14 1.368(6) . ?
C13 H13 0.9300 . ?
C14 C15 1.350(5) . ?
C14 H14 0.9300 . ?
C15 N3 1.347(5) . ?
C15 C16 1.480(6) . ?
C16 N4 1.359(5) . ?
C16 C17 1.372(6) . ?
C17 C18 1.340(6) . ?
C17 H17 0.9300 . ?
C18 C19 1.358(6) . ?
C18 H18 0.9300 . ?
C19 C20 1.389(6) . ?
C19 H19 0.9300 . ?
C20 N4 1.318(5) . ?
C20 H20 0.9300 . ?
C21 C22 1.492(5) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 N5 1.353(5) . ?
C22 C23 1.377(5) . ?
C23 C25 1.384(5) . ?
C23 C24 1.570(5) . ?
C24 C40 1.501(5) 2 ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C25 N6 1.332(5) . ?
C25 C26 1.541(5) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 C28 1.522(5) . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 N7 1.320(5) . ?
C28 C29 1.402(5) . ?
C29 C30 1.396(5) . ?
C29 C32 1.512(5) . ?
C30 N8 1.329(5) . ?
C30 C31 1.517(5) . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 C33 1.505(5) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C33 C46 1.389(6) . ?
C33 C34 1.411(6) . ?
C34 C35 1.401(6) . ?
C34 C39 1.408(6) . ?
C35 C36 1.400(6) . ?
C35 H35 0.9300 . ?
C36 C37 1.406(6) . ?
C36 H36 0.9300 . ?
C37 C38 1.386(6) . ?
C37 H37 0.9300 . ?
C38 C39 1.410(6) . ?
C38 H38 0.9300 . ?
C39 C40 1.398(5) . ?
C40 C41 1.394(6) . ?
C40 C24 1.501(5) 2 ?
C41 C46 1.415(5) . ?
C41 C42 1.425(6) . ?
C42 C43 1.406(7) . ?
C42 H42 0.9300 . ?
C43 C44 1.406(6) . ?
C43 H43 0.9300 . ?
C44 C45 1.405(6) . ?
C44 H44 0.9300 . ?
C45 C46 1.420(6) . ?
C45 H45 0.9300 . ?
C47 N9 1.152(5) . ?
C47 C48 1.427(6) . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
C49 N10 1.167(5) . ?
C49 C50 1.454(6) . ?
C50 H50A 0.9600 . ?
C50 H50B 0.9600 . ?
C50 H50C 0.9600 . ?
C51 N13 1.178(5) . ?
C51 C52 1.452(6) . ?
C52 H52C 0.9600 . ?
C52 H52A 0.9600 . ?
C52 H52B 0.9600 . ?
C53 N12 1.152(5) . ?
C53 C54 1.465(7) . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 0.9600 . ?
F11 P1 1.449(3) . ?
F12 P1 1.486(3) . ?
F13 P1 1.512(3) . ?
F14 P1 1.491(3) . ?
F15 P1 1.519(3) . ?
F16 P1 1.495(2) . ?
F21 P2 1.580(3) . ?
F22 P2 1.545(3) . ?
F23 P2 1.570(3) . ?
F24 P2 1.539(3) . ?
F25 P2 1.591(3) . ?
F26 P2 1.454(3) . ?
N1 Pd1 2.019(3) . ?
N2 Pd1 2.025(3) . ?
N3 Pd2 2.019(3) . ?
N4 Pd2 2.011(3) . ?
N5 N6 1.373(5) . ?
N5 Pd1 2.013(3) . ?
N6 Pd2 1.998(3) . ?
N7 N8 1.364(5) . ?
N7 Pd1 2.013(3) . ?
N8 Pd2 2.030(3) . ?
O1 H1D 0.8499 . ?
O1 H1C 0.8500 . ?
Pd1 Pd2 3.2319(5) . ?
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 -4.8(6) . . . . ?
C1 C2 C3 C4 4.0(6) . . . . ?
C2 C3 C4 C5 -0.1(6) . . . . ?
C3 C4 C5 N1 -3.3(6) . . . . ?
C3 C4 C5 C6 172.3(4) . . . . ?
N1 C5 C6 N2 0.6(5) . . . . ?
C4 C5 C6 N2 -175.3(4) . . . . ?
N1 C5 C6 C7 176.4(4) . . . . ?
C4 C5 C6 C7 0.5(6) . . . . ?
N2 C6 C7 C8 -0.9(6) . . . . ?
C5 C6 C7 C8 -176.6(4) . . . . ?
C6 C7 C8 C9 5.7(6) . . . . ?
C7 C8 C9 C10 -6.8(6) . . . . ?
C8 C9 C10 N2 3.3(6) . . . . ?
N3 C11 C12 C13 1.8(7) . . . . ?
C11 C12 C13 C14 -2.8(7) . . . . ?
C12 C13 C14 C15 0.6(7) . . . . ?
C13 C14 C15 N3 2.6(7) . . . . ?
C13 C14 C15 C16 -172.0(4) . . . . ?
N3 C15 C16 N4 2.8(5) . . . . ?
C14 C15 C16 N4 177.7(4) . . . . ?
N3 C15 C16 C17 -171.2(4) . . . . ?
C14 C15 C16 C17 3.8(7) . . . . ?
N4 C16 C17 C18 -2.5(6) . . . . ?
C15 C16 C17 C18 171.2(4) . . . . ?
C16 C17 C18 C19 -1.2(7) . . . . ?
C17 C18 C19 C20 3.1(6) . . . . ?
C18 C19 C20 N4 -1.5(6) . . . . ?
N5 C22 C23 C25 -0.4(4) . . . . ?
C21 C22 C23 C25 176.3(4) . . . . ?
N5 C22 C23 C24 173.1(4) . . . . ?
C21 C22 C23 C24 -10.2(7) . . . . ?
C22 C23 C24 C40 43.7(6) . . . 2 ?
C25 C23 C24 C40 -143.7(4) . . . 2 ?
C22 C23 C25 N6 0.4(5) . . . . ?
C24 C23 C25 N6 -173.8(4) . . . . ?
C22 C23 C25 C26 -178.2(4) . . . . ?
C24 C23 C25 C26 7.6(7) . . . . ?
N7 C28 C29 C30 1.8(4) . . . . ?
C27 C28 C29 C30 -177.4(4) . . . . ?
N7 C28 C29 C32 -173.3(4) . . . . ?
C27 C28 C29 C32 7.5(7) . . . . ?
C28 C29 C30 N8 -1.1(4) . . . . ?
C32 C29 C30 N8 174.5(3) . . . . ?
C28 C29 C30 C31 177.1(4) . . . . ?
C32 C29 C30 C31 -7.3(6) . . . . ?
C30 C29 C32 C33 143.0(4) . . . . ?
C28 C29 C32 C33 -42.9(6) . . . . ?
C29 C32 C33 C46 -83.0(5) . . . . ?
C29 C32 C33 C34 101.6(4) . . . . ?
C46 C33 C34 C35 -179.1(4) . . . . ?
C32 C33 C34 C35 -3.4(6) . . . . ?
C46 C33 C34 C39 3.7(5) . . . . ?
C32 C33 C34 C39 179.4(4) . . . . ?
C39 C34 C35 C36 -7.3(7) . . . . ?
C33 C34 C35 C36 175.3(4) . . . . ?
C34 C35 C36 C37 9.3(7) . . . . ?
C35 C36 C37 C38 -1.7(5) . . . . ?
C36 C37 C38 C39 -7.5(8) . . . . ?
C35 C34 C39 C40 -177.8(4) . . . . ?
C33 C34 C39 C40 -0.3(6) . . . . ?
C35 C34 C39 C38 -1.8(5) . . . . ?
C33 C34 C39 C38 175.7(4) . . . . ?
C37 C38 C39 C40 -174.5(5) . . . . ?
C37 C38 C39 C34 9.5(7) . . . . ?
C34 C39 C40 C41 -2.3(6) . . . . ?
C38 C39 C40 C41 -177.7(4) . . . . ?
C34 C39 C40 C24 179.1(4) . . . 2 ?
C38 C39 C40 C24 3.6(7) . . . 2 ?
C39 C40 C41 C46 1.4(6) . . . . ?
C24 C40 C41 C46 -179.9(4) 2 . . . ?
C39 C40 C41 C42 -178.5(4) . . . . ?
C24 C40 C41 C42 0.2(6) 2 . . . ?
C40 C41 C42 C43 173.1(5) . . . . ?
C46 C41 C42 C43 -6.8(8) . . . . ?
C41 C42 C43 C44 8.9(8) . . . . ?
C42 C43 C44 C45 -0.1(6) . . . . ?
C43 C44 C45 C46 -10.2(7) . . . . ?
C34 C33 C46 C41 -4.6(5) . . . . ?
C32 C33 C46 C41 179.6(4) . . . . ?
C34 C33 C46 C45 -178.4(4) . . . . ?
C32 C33 C46 C45 5.8(6) . . . . ?
C40 C41 C46 C33 2.2(6) . . . . ?
C42 C41 C46 C33 -177.9(4) . . . . ?
C40 C41 C46 C45 176.3(4) . . . . ?
C42 C41 C46 C45 -3.8(5) . . . . ?
C44 C45 C46 C33 -173.5(4) . . . . ?
C44 C45 C46 C41 12.2(7) . . . . ?
C2 C1 N1 C5 1.3(6) . . . . ?
C2 C1 N1 Pd1 179.7(3) . . . . ?
C4 C5 N1 C1 2.8(6) . . . . ?
C6 C5 N1 C1 -173.2(3) . . . . ?
C4 C5 N1 Pd1 -175.7(3) . . . . ?
C6 C5 N1 Pd1 8.3(4) . . . . ?
C9 C10 N2 C6 1.5(6) . . . . ?
C9 C10 N2 Pd1 -175.8(3) . . . . ?
C7 C6 N2 C10 -2.8(6) . . . . ?
C5 C6 N2 C10 173.3(3) . . . . ?
C7 C6 N2 Pd1 174.8(3) . . . . ?
C5 C6 N2 Pd1 -9.1(4) . . . . ?
C14 C15 N3 C11 -3.7(6) . . . . ?
C16 C15 N3 C11 171.5(3) . . . . ?
C14 C15 N3 Pd2 173.9(3) . . . . ?
C16 C15 N3 Pd2 -10.9(5) . . . . ?
C12 C11 N3 C15 1.5(6) . . . . ?
C12 C11 N3 Pd2 -175.7(3) . . . . ?
C19 C20 N4 C16 -2.1(6) . . . . ?
C19 C20 N4 Pd2 -178.7(3) . . . . ?
C17 C16 N4 C20 4.1(6) . . . . ?
C15 C16 N4 C20 -170.2(4) . . . . ?
C17 C16 N4 Pd2 -178.9(3) . . . . ?
C15 C16 N4 Pd2 6.8(5) . . . . ?
C23 C22 N5 N6 0.2(4) . . . . ?
C21 C22 N5 N6 -177.1(3) . . . . ?
C23 C22 N5 Pd1 -177.3(3) . . . . ?
C21 C22 N5 Pd1 5.5(6) . . . . ?
C23 C25 N6 N5 -0.3(5) . . . . ?
C26 C25 N6 N5 178.4(3) . . . . ?
C23 C25 N6 Pd2 179.7(3) . . . . ?
C26 C25 N6 Pd2 -1.5(6) . . . . ?
C22 N5 N6 C25 0.1(4) . . . . ?
Pd1 N5 N6 C25 178.1(3) . . . . ?
C22 N5 N6 Pd2 -179.9(2) . . . . ?
Pd1 N5 N6 Pd2 -1.9(4) . . . . ?
C29 C28 N7 N8 -1.8(4) . . . . ?
C27 C28 N7 N8 177.5(3) . . . . ?
C29 C28 N7 Pd1 180.0(3) . . . . ?
C27 C28 N7 Pd1 -0.7(6) . . . . ?
C29 C30 N8 N7 0.2(4) . . . . ?
C31 C30 N8 N7 -178.2(3) . . . . ?
C29 C30 N8 Pd2 178.8(3) . . . . ?
C31 C30 N8 Pd2 0.4(6) . . . . ?
C28 N7 N8 C30 1.0(4) . . . . ?
Pd1 N7 N8 C30 179.5(2) . . . . ?
C28 N7 N8 Pd2 -178.0(2) . . . . ?
Pd1 N7 N8 Pd2 0.6(4) . . . . ?
C28 N7 Pd1 N5 117.7(4) . . . . ?
N8 N7 Pd1 N5 -60.4(3) . . . . ?
C28 N7 Pd1 N1 -63.3(4) . . . . ?
N8 N7 Pd1 N1 118.6(3) . . . . ?
C28 N7 Pd1 Pd2 177.7(4) . . . . ?
N8 N7 Pd1 Pd2 -0.4(2) . . . . ?
C22 N5 Pd1 N7 -121.9(4) . . . . ?
N6 N5 Pd1 N7 60.7(3) . . . . ?
C22 N5 Pd1 N2 57.8(4) . . . . ?
N6 N5 Pd1 N2 -119.5(3) . . . . ?
C22 N5 Pd1 Pd2 178.5(4) . . . . ?
N6 N5 Pd1 Pd2 1.2(2) . . . . ?
C1 N1 Pd1 N7 -9.0(3) . . . . ?
C5 N1 Pd1 N7 169.4(3) . . . . ?
C1 N1 Pd1 N2 171.3(3) . . . . ?
C5 N1 Pd1 N2 -10.3(3) . . . . ?
C1 N1 Pd1 Pd2 52.3(3) . . . . ?
C5 N1 Pd1 Pd2 -129.3(2) . . . . ?
C10 N2 Pd1 N5 7.0(3) . . . . ?
C6 N2 Pd1 N5 -170.5(3) . . . . ?
C10 N2 Pd1 N1 -172.1(3) . . . . ?
C6 N2 Pd1 N1 10.4(3) . . . . ?
C10 N2 Pd1 Pd2 -54.7(3) . . . . ?
C6 N2 Pd1 Pd2 127.8(2) . . . . ?
C25 N6 Pd2 N4 -60.9(4) . . . . ?
N5 N6 Pd2 N4 119.1(3) . . . . ?
C25 N6 Pd2 N8 121.4(4) . . . . ?
N5 N6 Pd2 N8 -58.5(3) . . . . ?
C25 N6 Pd2 Pd1 -178.8(4) . . . . ?
N5 N6 Pd2 Pd1 1.2(2) . . . . ?
C20 N4 Pd2 N6 -15.1(4) . . . . ?
C16 N4 Pd2 N6 168.2(3) . . . . ?
C20 N4 Pd2 N3 167.0(4) . . . . ?
C16 N4 Pd2 N3 -9.7(3) . . . . ?
C20 N4 Pd2 Pd1 45.7(4) . . . . ?
C16 N4 Pd2 Pd1 -131.0(3) . . . . ?
C15 N3 Pd2 N4 11.4(3) . . . . ?
C11 N3 Pd2 N4 -171.3(3) . . . . ?
C15 N3 Pd2 N8 -171.0(3) . . . . ?
C11 N3 Pd2 N8 6.3(3) . . . . ?
C15 N3 Pd2 Pd1 127.0(3) . . . . ?
C11 N3 Pd2 Pd1 -55.7(3) . . . . ?
C30 N8 Pd2 N6 -119.8(4) . . . . ?
N7 N8 Pd2 N6 58.8(3) . . . . ?
C30 N8 Pd2 N3 58.3(4) . . . . ?
N7 N8 Pd2 N3 -123.1(3) . . . . ?
C30 N8 Pd2 Pd1 -178.9(4) . . . . ?
N7 N8 Pd2 Pd1 -0.4(2) . . . . ?
N7 Pd1 Pd2 N6 -103.67(15) . . . . ?
N5 Pd1 Pd2 N6 -0.82(15) . . . . ?
N1 Pd1 Pd2 N6 175.40(15) . . . . ?
N2 Pd1 Pd2 N6 79.66(14) . . . . ?
N7 Pd1 Pd2 N4 176.30(14) . . . . ?
N5 Pd1 Pd2 N4 -80.86(15) . . . . ?
N1 Pd1 Pd2 N4 95.36(14) . . . . ?
N2 Pd1 Pd2 N4 -0.37(14) . . . . ?
N7 Pd1 Pd2 N3 80.50(15) . . . . ?
N5 Pd1 Pd2 N3 -176.66(16) . . . . ?
N1 Pd1 Pd2 N3 -0.44(15) . . . . ?
N2 Pd1 Pd2 N3 -96.17(15) . . . . ?
N7 Pd1 Pd2 N8 0.24(15) . . . . ?
N5 Pd1 Pd2 N8 103.09(15) . . . . ?
N1 Pd1 Pd2 N8 -80.69(15) . . . . ?
N2 Pd1 Pd2 N8 -176.43(14) . . . . ?
