#------------------------------------------------------------------------------
#$Date: 2019-04-18 02:11:21 +0300 (Thu, 18 Apr 2019) $
#$Revision: 214680 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/97/7049757.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_7049757
loop_
_publ_author_name
'Wang, Yingxia'
'Eichhoefer, Andreas'
'Weigend, Florian'
'Fenske, Dieter'
'Fuhr, Olaf'
_publ_section_title
;
 The coordination behavior of
 2,3-bis(diphenylphosphino)maleic-N-phenylimide towards copper, silver,
 gold and palladium
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/C8DT05003A
_journal_year                    2019
_chemical_formula_moiety         'C68 H50 N2 O4 P4 Pd'
_chemical_formula_sum            'C68 H50 N2 O4 P4 Pd'
_chemical_formula_weight         1189.38
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_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     heavy
_audit_creation_date             2017-05-30
_audit_creation_method
;
Olex2 1.2
(compiled 2017.03.02 svn.r3394 for OlexSys, GUI svn.r5324)
;
_audit_update_record
;
2018-06-07 deposited with the CCDC.    2019-04-17 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 106.616(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.9829(7)
_cell_length_b                   15.0730(8)
_cell_length_c                   23.6619(13)
_cell_measurement_reflns_used    13965
_cell_measurement_temperature    180.15
_cell_measurement_theta_max      27.18
_cell_measurement_theta_min      2.25
_cell_volume                     5462.4(5)
_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    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      180.15
_diffrn_detector                 'image plate (34 cm diameter)'
_diffrn_detector_area_resol_mean 6.67
_diffrn_detector_type            STOE
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'Stoe IPDS2T'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_collimation    '0.5 mm diameter, monocapillary'
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0275
_diffrn_reflns_av_unetI/netI     0.0314
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            13297
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.732
_diffrn_reflns_theta_min         2.255
_diffrn_source
'sealed X-ray tube, 12 x 0.4 mm long-fine focus'
_diffrn_source_current           40
_diffrn_source_power             2.000
_diffrn_source_target            Mo
_diffrn_source_type              'sealed X-ray tube'
_diffrn_source_voltage           50
_exptl_absorpt_coefficient_mu    0.511
_exptl_absorpt_correction_T_max  0.9424
_exptl_absorpt_correction_T_min  0.7964
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'STOE Xred and LANA'
_exptl_crystal_colour            'reddish brown'
_exptl_crystal_colour_modifier   reddish
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.446
_exptl_crystal_description       block
_exptl_crystal_F_000             2440
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.958
_refine_diff_density_min         -0.440
_refine_diff_density_rms         0.070
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     337
_refine_ls_number_reflns         5731
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0500
_refine_ls_R_factor_gt           0.0365
_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)+(0.0555P)²+3.8126P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0909
_refine_ls_wR_factor_ref         0.0954
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4579
_reflns_number_total             5731
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt05003a2.cif
_cod_data_source_block           wyx010-dcm-cyhex-2nd
_cod_database_code               7049757
_shelx_shelxl_version_number     2014/7
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Others
 Fixed Sof: O1A(0.6) O1B(0.4) N1A(0.6) N1B(0.4) C1A(0.5) C2A(0.5) H2A(0.5)
 C3A(0.5) H3A(0.5) C4A(0.5) H4A(0.5) C5A(0.5) H5A(0.5) C6A(0.5) H6A(0.5)
 C1B(0.5) C2B(0.5) H2B(0.5) C3B(0.5) H3B(0.5) C4B(0.5) H4B(0.5) C5B(0.5)
 H5B(0.5) C6B(0.5) H6B(0.5) C13A(0.6) C14A(0.6) C13B(0.4) C14B(0.4) C17A(0.6)
 C18A(0.6) H18A(0.6) C19A(0.6) H19A(0.6) C20A(0.6) H20A(0.6) C17B(0.4)
 C18B(0.4) H18B(0.4) C19B(0.4) H19B(0.4) C20B(0.4) H20B(0.4) H21(0.5) H21A(0.5)
 H22(0.5) H22A(0.5) C23A(0.5) C24A(0.5) H24A(0.5) C25A(0.5) H25A(0.5) C26A(0.5)
 H26A(0.5) C27A(0.5) H27A(0.5) C28A(0.5) H28A(0.5) C26B(0.5) H26B(0.5)
 C28B(0.5) H28B(0.5) C25B(0.5) H25B(0.5) C27B(0.5) H27B(0.5) C23B(0.5)
 C24B(0.5) H24B(0.5)
3.a Aromatic/amide H refined with riding coordinates:
 C2A(H2A), C3A(H3A), C4A(H4A), C5A(H5A), C6A(H6A), C2B(H2B), C3B(H3B),
 C4B(H4B), C5B(H5B), C6B(H6B), C8(H8), C9(H9), C10(H10), C11(H11), C12(H12),
 C18A(H18A), C19A(H19A), C20A(H20A), C18B(H18B), C19B(H19B), C20B(H20B),
 C21(H21), C21(H21A), C22(H22), C22(H22A), C24A(H24A), C25A(H25A), C26A(H26A),
 C27A(H27A), C28A(H28A), C26B(H26B), C28B(H28B), C25B(H25B), C27B(H27B),
 C24B(H24B), C30(H30), C31(H31), C32(H32), C33(H33), C34(H34)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_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 0.0000 0.50791(2) 0.2500 0.01658(9) Uani 1 2 d S T P B .
P1 P -0.15391(4) 0.50601(5) 0.21649(3) 0.03098(16) Uani 1 1 d . . . . .
P2 P -0.01627(4) 0.50774(4) 0.34542(2) 0.02022(13) Uani 1 1 d . . . . .
O2 O -0.14620(13) 0.52151(16) 0.43374(8) 0.0432(5) Uani 1 1 d . . . . .
O1A O -0.3444(2) 0.4696(2) 0.24877(15) 0.0406(8) Uiso 0.6 1 d . . . A 1
O1B O -0.3433(3) 0.5297(3) 0.2491(2) 0.0378(11) Uiso 0.4 1 d . . . A 2
N1A N -0.2668(2) 0.4969(3) 0.34796(16) 0.0225(8) Uiso 0.6 1 d . . . A 1
N1B N -0.2615(3) 0.5276(4) 0.3500(2) 0.0195(12) Uiso 0.4 1 d . . . A 2
C1A C -0.2094(4) 0.5924(4) 0.1761(2) 0.0190(12) Uiso 0.5 1 d . . . B 1
C2A C -0.1662(4) 0.6731(5) 0.1879(2) 0.0252(13) Uiso 0.5 1 d . . . B 1
H2A H -0.1074 0.6746 0.2120 0.030 Uiso 0.5 1 calc R . . B 1
C3A C -0.2083(5) 0.7530(4) 0.1646(3) 0.0358(13) Uiso 0.5 1 d . . . B 1
H3A H -0.1776 0.8077 0.1729 0.043 Uiso 0.5 1 calc R . . B 1
C4A C -0.2927(4) 0.7519(5) 0.1304(3) 0.0292(11) Uiso 0.5 1 d . . . B 1
H4A H -0.3215 0.8055 0.1151 0.035 Uiso 0.5 1 calc R . . B 1
C5A C -0.3362(4) 0.6708(4) 0.1180(3) 0.0333(12) Uiso 0.5 1 d . . . B 1
H5A H -0.3948 0.6698 0.0935 0.040 Uiso 0.5 1 calc R . . B 1
C6A C -0.2956(4) 0.5908(4) 0.1408(2) 0.0296(11) Uiso 0.5 1 d . . . B 1
H6A H -0.3264 0.5363 0.1322 0.035 Uiso 0.5 1 calc R . . B 1
C1B C -0.1946(4) 0.6203(5) 0.1800(2) 0.0238(13) Uiso 0.5 1 d . . . B 2
C2B C -0.1428(5) 0.6952(4) 0.1931(3) 0.0330(16) Uiso 0.5 1 d . . . B 2
H2B H -0.0841 0.6906 0.2171 0.040 Uiso 0.5 1 calc R . . B 2
C3B C -0.1760(6) 0.7760(5) 0.1713(3) 0.0496(17) Uiso 0.5 1 d . . . B 2
H3B H -0.1403 0.8274 0.1807 0.060 Uiso 0.5 1 calc R . . B 2
C4B C -0.2612(6) 0.7835(5) 0.1359(3) 0.0499(17) Uiso 0.5 1 d . . . B 2
H4B H -0.2834 0.8401 0.1212 0.060 Uiso 0.5 1 calc R . . B 2
C5B C -0.3128(5) 0.7115(6) 0.1219(3) 0.0409(14) Uiso 0.5 1 d . . . B 2
H5B H -0.3707 0.7178 0.0968 0.049 Uiso 0.5 1 calc R . . B 2
C6B C -0.2821(4) 0.6263(5) 0.1440(3) 0.0375(14) Uiso 0.5 1 d . . . B 2
H6B H -0.3187 0.5754 0.1350 0.045 Uiso 0.5 1 calc R . . B 2
C7 C -0.20327(19) 0.4098(2) 0.17409(13) 0.0438(7) Uani 1 1 d . . . . .
C8 C -0.2297(2) 0.4079(3) 0.11238(14) 0.0517(9) Uani 1 1 d . . . . .
H8 H -0.2258 0.4600 0.0907 0.062 Uiso 1 1 calc R . . . .
C9 C -0.2616(3) 0.3302(3) 0.08305(16) 0.0719(13) Uani 1 1 d . . . . .
H9 H -0.2799 0.3294 0.0412 0.086 Uiso 1 1 calc R . . . .
C10 C -0.2673(3) 0.2538(4) 0.1137(2) 0.0879(17) Uani 1 1 d . . . . .
H10 H -0.2889 0.2007 0.0931 0.105 Uiso 1 1 calc R . . . .
C11 C -0.2413(3) 0.2548(3) 0.1747(2) 0.0826(15) Uani 1 1 d . . . . .
H11 H -0.2448 0.2023 0.1960 0.099 Uiso 1 1 calc R . . . .
C12 C -0.2104(2) 0.3319(3) 0.20452(16) 0.0578(10) Uani 1 1 d . . . . .
H12 H -0.1937 0.3322 0.2464 0.069 Uiso 1 1 calc R . . . .
C13A C -0.2757(3) 0.4854(3) 0.28637(19) 0.0256(8) Uiso 0.6 1 d . . . A 1
C14A C -0.1894(3) 0.4941(3) 0.2804(2) 0.0231(10) Uiso 0.6 1 d . . . A 1
C13B C -0.2733(4) 0.5271(4) 0.2876(3) 0.0221(12) Uiso 0.4 1 d . . . A 2
C14B C -0.1866(5) 0.5216(5) 0.2820(3) 0.0225(16) Uiso 0.4 1 d . . . A 2
C15 C -0.12940(16) 0.51307(16) 0.33603(11) 0.0256(5) Uani 1 1 d . . . . .
C16 C -0.17528(17) 0.51553(17) 0.38024(11) 0.0279(5) Uani 1 1 d . . . . .
C17A C -0.3375(3) 0.4946(3) 0.3740(2) 0.0268(11) Uiso 0.6 1 d . . . A 1
C18A C -0.3194(4) 0.4806(4) 0.4343(2) 0.0410(11) Uiso 0.6 1 d . . . A 1
H18A H -0.2609 0.4721 0.4578 0.049 Uiso 0.6 1 calc R . . A 1
C19A C -0.3879(4) 0.4792(4) 0.4602(2) 0.0414(11) Uiso 0.6 1 d . . . A 1
H19A H -0.3754 0.4718 0.5016 0.050 Uiso 0.6 1 calc R . . A 1
C20A C -0.4724(4) 0.4883(4) 0.4266(3) 0.0335(16) Uiso 0.6 1 d . . . A 1
H20A H -0.5192 0.4860 0.4439 0.040 Uiso 0.6 1 calc R . . A 1
C17B C -0.3318(5) 0.5220(5) 0.3761(3) 0.0211(15) Uiso 0.4 1 d . . . A 2
C18B C -0.3162(4) 0.5297(4) 0.4367(3) 0.0255(12) Uiso 0.4 1 d . . . A 2
H18B H -0.2587 0.5407 0.4611 0.031 Uiso 0.4 1 calc R . . A 2
C19B C -0.3849(4) 0.5214(4) 0.4618(3) 0.0250(12) Uiso 0.4 1 d . . . A 2
H19B H -0.3737 0.5235 0.5034 0.030 Uiso 0.4 1 calc R . . A 2
C20B C -0.4688(6) 0.5101(6) 0.4263(4) 0.030(2) Uiso 0.4 1 d . . . A 2
H20B H -0.5152 0.5087 0.4440 0.036 Uiso 0.4 1 calc R . . A 2
C21 C -0.48792(19) 0.5009(2) 0.36681(13) 0.0386(6) Uani 1 1 d . . . . .
H21 H -0.5464 0.5063 0.3426 0.046 Uiso 0.5 1 calc R . . A 1
H21A H -0.5463 0.4913 0.3433 0.046 Uiso 0.5 1 calc R . . A 2
C22 C -0.41969(18) 0.50579(18) 0.34114(12) 0.0349(6) Uani 1 1 d . . . . .
H22 H -0.4318 0.5171 0.3001 0.042 Uiso 0.5 1 calc R . . A 1
H22A H -0.4317 0.4983 0.2997 0.042 Uiso 0.5 1 calc R . . A 2
C23A C 0.0235(4) 0.6091(4) 0.3883(3) 0.0216(17) Uiso 0.5 1 d . . . B 1
C24A C -0.0243(5) 0.6863(4) 0.3714(3) 0.0294(15) Uiso 0.5 1 d . . . B 1
H24A H -0.0769 0.6853 0.3400 0.035 Uiso 0.5 1 calc R . . B 1
C25A C 0.0047(5) 0.7637(4) 0.4001(3) 0.0394(14) Uiso 0.5 1 d . . . B 1
H25A H -0.0283 0.8165 0.3887 0.047 Uiso 0.5 1 calc R . . B 1
C26A C 0.0817(5) 0.7663(4) 0.4458(3) 0.0387(13) Uiso 0.5 1 d . . . B 1
H26A H 0.1015 0.8213 0.4645 0.046 Uiso 0.5 1 calc R . . B 1
C27A C 0.1298(4) 0.6907(5) 0.4646(3) 0.0336(12) Uiso 0.5 1 d . . . B 1
H27A H 0.1817 0.6921 0.4966 0.040 Uiso 0.5 1 calc R . . B 1
C28A C 0.0995(4) 0.6113(4) 0.4347(3) 0.0284(14) Uiso 0.5 1 d . . . B 1
H28A H 0.1317 0.5581 0.4464 0.034 Uiso 0.5 1 calc R . . B 1
C26B C 0.1184(5) 0.7413(5) 0.4570(3) 0.0366(13) Uiso 0.5 1 d . . . B 2
H26B H 0.1457 0.7914 0.4791 0.044 Uiso 0.5 1 calc R . . B 2
C28B C 0.1141(4) 0.5844(4) 0.4410(3) 0.0279(13) Uiso 0.5 1 d . . . B 2
H28B H 0.1382 0.5272 0.4518 0.033 Uiso 0.5 1 calc R . . B 2
C25B C 0.0444(5) 0.7538(4) 0.4107(3) 0.0398(14) Uiso 0.5 1 d . . . B 2
H25B H 0.0212 0.8115 0.4004 0.048 Uiso 0.5 1 calc R . . B 2
C27B C 0.1543(4) 0.6585(4) 0.4722(3) 0.0334(13) Uiso 0.5 1 d . . . B 2
H27B H 0.2061 0.6521 0.5039 0.040 Uiso 0.5 1 calc R . . B 2
C23B C 0.0394(5) 0.5935(4) 0.3945(3) 0.0211(17) Uiso 0.5 1 d . . . B 2
C24B C 0.0044(5) 0.6798(4) 0.3795(3) 0.0330(17) Uiso 0.5 1 d . . . B 2
H24B H -0.0471 0.6870 0.3477 0.040 Uiso 0.5 1 calc R . . B 2
C29 C 0.01913(17) 0.40576(17) 0.38457(11) 0.0272(5) Uani 1 1 d . . . . .
C30 C 0.0321(2) 0.3979(2) 0.44516(12) 0.0373(6) Uani 1 1 d . . . . .
H30 H 0.0262 0.4483 0.4678 0.045 Uiso 1 1 calc R . . . .
C31 C 0.0535(2) 0.3165(3) 0.47212(15) 0.0545(9) Uani 1 1 d . . . . .
H31 H 0.0637 0.3114 0.5136 0.065 Uiso 1 1 calc R . . . .
C32 C 0.0601(3) 0.2431(3) 0.43967(19) 0.0620(11) Uani 1 1 d . . . . .
H32 H 0.0743 0.1873 0.4586 0.074 Uiso 1 1 calc R . . . .
C33 C 0.0461(3) 0.2496(2) 0.37946(17) 0.0544(9) Uani 1 1 d . . . . .
H33 H 0.0507 0.1984 0.3571 0.065 Uiso 1 1 calc R . . . .
C34 C 0.0254(2) 0.33068(18) 0.35169(14) 0.0370(6) Uani 1 1 d . . . . .
H34 H 0.0155 0.3352 0.3102 0.044 Uiso 1 1 calc 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'
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_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 0 -1 0.2310
0 0 1 0.2420
-1 1 0 0.0000
1 -1 0 0.1410
1 1 0 0.1040
-1 -1 0 0.0960
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
P1 Pd1 P1 178.61(4) 2 .
P2 Pd1 P1 86.08(2) 2 2
P2 Pd1 P1 93.92(2) 2 .
P2 Pd1 P1 93.92(2) . 2
P2 Pd1 P1 86.08(2) . .
P2 Pd1 P2 179.87(3) . 2
C1A P1 Pd1 120.3(2) . .
C1A P1 C7 103.1(2) . .
C1A P1 C14A 108.3(2) . .
C1B P1 Pd1 108.8(2) . .
C7 P1 Pd1 116.31(11) . .
C7 P1 C1B 115.1(2) . .
C14A P1 Pd1 105.78(16) . .
C14A P1 C7 101.36(19) . .
C14B P1 Pd1 104.0(2) . .
C14B P1 C1B 97.1(3) . .
C14B P1 C7 113.4(3) . .
C15 P2 Pd1 105.73(8) . .
C15 P2 C23A 102.2(2) . .
C15 P2 C23B 110.5(2) . .
C15 P2 C29 105.33(11) . .
C23A P2 Pd1 114.43(19) . .
C23B P2 Pd1 116.81(19) . .
C23B P2 C29 104.9(2) . .
C29 P2 Pd1 113.03(8) . .
C29 P2 C23A 114.6(2) . .
C13A N1A C16 110.3(3) . .
C13A N1A C17A 124.9(4) . .
C17A N1A C16 124.8(3) . .
C16 N1B C13B 110.6(4) . .
C16 N1B C17B 124.3(5) . .
C17B N1B C13B 123.8(5) . .
C2A C1A P1 114.0(4) . .
C2A C1A C6A 119.1(5) . .
C6A C1A P1 126.2(5) . .
C1A C2A C3A 120.9(6) . .
C4A C3A C2A 120.2(7) . .
C3A C4A C5A 119.1(6) . .
C4A C5A C6A 121.6(6) . .
C1A C6A C5A 119.1(6) . .
C2B C1B P1 121.2(5) . .
C2B C1B C6B 120.5(6) . .
C6B C1B P1 117.9(5) . .
C3B C2B C1B 120.0(7) . .
C2B C3B C4B 120.6(8) . .
C5B C4B C3B 120.7(7) . .
C4B C5B C6B 121.0(7) . .
C1B C6B C5B 117.1(7) . .
C8 C7 P1 123.3(3) . .
C8 C7 C12 118.3(3) . .
C12 C7 P1 118.3(2) . .
C9 C8 C7 119.9(4) . .
C10 C9 C8 120.9(4) . .
C9 C10 C11 119.6(4) . .
C12 C11 C10 120.1(4) . .
C11 C12 C7 121.0(3) . .
O1A C13A N1A 124.8(4) . .
O1A C13A C14A 129.5(4) . .
C14A C13A N1A 105.7(4) . .
C13A C14A P1 130.3(4) . .
C15 C14A P1 118.4(3) . .
C15 C14A C13A 109.9(3) . .
O1B C13B N1B 126.1(5) . .
O1B C13B C14B 129.4(6) . .
C14B C13B N1B 104.5(5) . .
C13B C14B P1 128.2(5) . .
C15 C14B P1 121.5(5) . .
C15 C14B C13B 109.2(5) . .
C14A C15 P2 120.3(2) . .
C14A C15 C16 109.3(3) . .
C14B C15 P2 121.2(3) . .
C14B C15 C16 109.8(3) . .
C16 C15 P2 128.9(2) . .
O2 C16 N1A 125.5(2) . .
O2 C16 N1B 124.0(3) . .
O2 C16 C15 129.3(2) . .
N1B C16 C15 105.6(3) . .
C15 C16 N1A 104.8(2) . .
C18A C17A N1A 119.1(5) . .
C22 C17A N1A 120.9(4) . .
C22 C17A C18A 120.0(4) . .
C17A C18A C19A 119.5(5) . .
C20A C19A C18A 120.8(5) . .
C19A C20A C21 118.0(5) . .
N1B C17B C22 121.4(5) . .
C18B C17B N1B 120.6(6) . .
C18B C17B C22 117.9(5) . .
C17B C18B C19B 120.1(6) . .
C20B C19B C18B 120.0(6) . .
C21 C20B C19B 122.4(7) . .
C20A C21 C22 121.4(4) . .
C20B C21 C22 118.3(5) . .
C17A C22 C21 120.2(3) . .
C21 C22 C17B 121.1(3) . .
C24A C23A P2 117.5(5) . .
C28A C23A P2 122.8(5) . .
C28A C23A C24A 119.6(6) . .
C25A C24A C23A 119.7(7) . .
C24A C25A C26A 120.8(7) . .
C27A C26A C25A 121.1(6) . .
C26A C27A C28A 117.6(6) . .
C23A C28A C27A 121.2(7) . .
C25B C26B C27B 122.1(6) . .
C23B C28B C27B 120.5(7) . .
C26B C25B C24B 118.3(7) . .
C26B C27B C28B 119.6(7) . .
C28B C23B P2 126.9(5) . .
C28B C23B C24B 118.6(6) . .
C24B C23B P2 114.3(5) . .
C25B C24B C23B 120.9(7) . .
C30 C29 P2 122.3(2) . .
C34 C29 P2 117.93(19) . .
C34 C29 C30 119.5(2) . .
C31 C30 C29 119.7(3) . .
C32 C31 C30 120.5(3) . .
C31 C32 C33 120.4(3) . .
C32 C33 C34 120.0(3) . .
C33 C34 C29 119.9(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 P1 2.3591(6) .
Pd1 P1 2.3590(6) 2
Pd1 P2 2.3456(6) 2
Pd1 P2 2.3455(6) .
P1 C1A 1.707(5) .
P1 C1B 1.953(6) .
P1 C7 1.811(3) .
P1 C14A 1.769(4) .
P1 C14B 1.787(6) .
P2 C15 1.759(3) .
P2 C23A 1.844(6) .
P2 C23B 1.795(6) .
P2 C29 1.800(2) .
O2 C16 1.221(3) .
O1A C13A 1.223(6) .
O1B C13B 1.226(8) .
N1A C13A 1.434(5) .
N1A C16 1.470(5) .
N1A C17A 1.434(6) .
N1B C13B 1.435(8) .
N1B C16 1.371(6) .
N1B C17B 1.432(8) .
C1A C2A 1.388(8) .
C1A C6A 1.391(8) .
C2A C3A 1.413(9) .
C3A C4A 1.361(10) .
C4A C5A 1.395(8) .
C5A C6A 1.402(8) .
C1B C2B 1.382(9) .
C1B C6B 1.417(9) .
C2B C3B 1.369(10) .
C3B C4B 1.385(12) .
C4B C5B 1.346(10) .
C5B C6B 1.421(10) .
C7 C8 1.399(4) .
C7 C12 1.400(5) .
C8 C9 1.383(5) .
C9 C10 1.378(7) .
C10 C11 1.382(6) .
C11 C12 1.375(6) .
C13A C14A 1.433(6) .
C14A C15 1.419(5) .
C13B C14B 1.431(9) .
C14B C15 1.348(7) .
C15 C16 1.440(3) .
C17A C18A 1.388(7) .
C17A C22 1.333(6) .
C18A C19A 1.400(7) .
C19A C20A 1.364(8) .
C20A C21 1.378(7) .
C17B C18B 1.387(9) .
C17B C22 1.432(8) .
C18B C19B 1.396(8) .
C19B C20B 1.374(11) .
C20B C21 1.360(9) .
C21 C22 1.394(4) .
C23A C24A 1.387(10) .
C23A C28A 1.384(9) .
C24A C25A 1.362(9) .
C25A C26A 1.387(11) .
C26A C27A 1.377(10) .
C27A C28A 1.404(9) .
C26B C25B 1.375(11) .
C26B C27B 1.378(9) .
C28B C27B 1.390(8) .
C28B C23B 1.380(10) .
C25B C24B 1.389(10) .
C23B C24B 1.420(9) .
C29 C30 1.394(4) .
C29 C34 1.393(4) .
C30 C31 1.381(4) .
C31 C32 1.368(6) .
C32 C33 1.381(5) .
C33 C34 1.382(4) .
