#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/63/7016346.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_7016346
loop_
_publ_author_name
'Lansing, Raymond B.'
'Goldberg, Karen I.'
'Kemp, Richard A.'
_publ_section_title
;
 Unsymmetrical (R)PNP(R') pincer ligands and their group 10 complexes.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8950
_journal_page_last               8958
_journal_paper_doi               10.1039/c1dt10265f
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C40.5 H45 N P2 Pd'
_chemical_formula_weight         714.12
_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                91.051(2)
_cell_angle_beta                 108.575(2)
_cell_angle_gamma                94.265(2)
_cell_formula_units_Z            2
_cell_length_a                   11.3866(5)
_cell_length_b                   11.4791(5)
_cell_length_c                   14.9377(7)
_cell_measurement_reflns_used    9975
_cell_measurement_temperature    183(2)
_cell_measurement_theta_max      32.42
_cell_measurement_theta_min      2.60
_cell_volume                     1843.82(14)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      183(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_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  0.0375
_diffrn_reflns_av_sigmaI/netI    0.0339
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            41162
_diffrn_reflns_theta_full        29.57
_diffrn_reflns_theta_max         29.57
_diffrn_reflns_theta_min         1.44
_exptl_absorpt_coefficient_mu    0.618
_exptl_absorpt_correction_T_max  0.9586
_exptl_absorpt_correction_T_min  0.8594
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker, SADABS'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.286
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chip
_exptl_crystal_F_000             742
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.456
_refine_diff_density_min         -1.170
_refine_diff_density_rms         0.198
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.162
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     392
_refine_ls_number_reflns         10335
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.164
_refine_ls_R_factor_all          0.0445
_refine_ls_R_factor_gt           0.0364
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0635P)²+0.7974P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1020
_refine_ls_wR_factor_ref         0.1162
_reflns_number_gt                9148
_reflns_number_total             10335
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10265f.txt
_cod_data_source_block           rkrl27t
_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.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1843.81(14)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C40.50 H45 N P2 Pd'
_cod_database_code               7016346
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
Pd1 Pd 0.918683(15) 0.283987(14) 0.226836(11) 0.02034(6) Uani 1 1 d D
N1 N 0.74116(18) 0.27386(17) 0.23932(14) 0.0231(4) Uani 1 1 d .
P1 P 0.89726(5) 0.47893(5) 0.22747(4) 0.02129(12) Uani 1 1 d .
P2 P 0.88555(5) 0.08682(5) 0.21297(4) 0.01873(11) Uani 1 1 d .
C1 C 0.6693(2) 0.36669(19) 0.20765(16) 0.0220(4) Uani 1 1 d .
C2 C 0.5379(2) 0.3610(2) 0.17986(19) 0.0288(5) Uani 1 1 d .
H2A H 0.4929 0.2910 0.1877 0.035 Uiso 1 1 calc R
C3 C 0.4737(2) 0.4558(2) 0.1415(2) 0.0331(5) Uani 1 1 d .
H3A H 0.3855 0.4484 0.1236 0.040 Uiso 1 1 calc R
C4 C 0.5329(2) 0.5608(2) 0.12809(19) 0.0310(5) Uani 1 1 d .
C5 C 0.4604(3) 0.6610(3) 0.0823(2) 0.0432(7) Uani 1 1 d .
H5A H 0.3712 0.6394 0.0681 0.065 Uiso 1 1 calc R
H5B H 0.4779 0.6784 0.0236 0.065 Uiso 1 1 calc R
H5C H 0.4850 0.7302 0.1256 0.065 Uiso 1 1 calc R
C6 C 0.6627(2) 0.5679(2) 0.15589(18) 0.0276(5) Uani 1 1 d .
H6A H 0.7064 0.6388 0.1483 0.033 Uiso 1 1 calc R
C7 C 0.7298(2) 0.4741(2) 0.19444(16) 0.0230(4) Uani 1 1 d .
C8 C 0.9590(2) 0.5640(2) 0.33906(16) 0.0254(4) Uani 1 1 d .
C9 C 1.0748(3) 0.5430(3) 0.40125(19) 0.0350(6) Uani 1 1 d .
H9A H 1.1208 0.4848 0.3853 0.042 Uiso 1 1 calc R
C10 C 1.1233(3) 0.6071(3) 0.4869(2) 0.0427(7) Uani 1 1 d .
H10A H 1.2032 0.5938 0.5286 0.051 Uiso 1 1 calc R
C11 C 1.0560(3) 0.6897(3) 0.5114(2) 0.0432(7) Uani 1 1 d .
H11A H 1.0888 0.7325 0.5703 0.052 Uiso 1 1 calc R
C12 C 0.9410(3) 0.7103(3) 0.4504(2) 0.0462(7) Uani 1 1 d .
H12A H 0.8946 0.7674 0.4673 0.055 Uiso 1 1 calc R
C13 C 0.8923(3) 0.6476(2) 0.3641(2) 0.0370(6) Uani 1 1 d .
H13A H 0.8130 0.6624 0.3223 0.044 Uiso 1 1 calc R
C14 C 0.9416(2) 0.5691(2) 0.14267(17) 0.0244(4) Uani 1 1 d .
C15 C 1.0517(3) 0.6416(2) 0.1713(2) 0.0347(6) Uani 1 1 d .
H15A H 1.1000 0.6501 0.2363 0.042 Uiso 1 1 calc R
C16 C 1.0909(3) 0.7016(3) 0.1044(2) 0.0424(7) Uani 1 1 d .
H16A H 1.1661 0.7511 0.1240 0.051 Uiso 1 1 calc R
C17 C 1.0216(3) 0.6900(2) 0.0103(2) 0.0391(6) Uani 1 1 d .
H17A H 1.0488 0.7314 -0.0350 0.047 Uiso 1 1 calc R
C18 C 0.9122(3) 0.6178(3) -0.0186(2) 0.0359(6) Uani 1 1 d .
H18A H 0.8640 0.6101 -0.0836 0.043 Uiso 1 1 calc R
C19 C 0.8730(2) 0.5568(2) 0.04705(18) 0.0299(5) Uani 1 1 d .
H19A H 0.7987 0.5062 0.0268 0.036 Uiso 1 1 calc R
C20 C 0.69788(19) 0.16974(19) 0.26824(15) 0.0209(4) Uani 1 1 d .
C21 C 0.6060(2) 0.1581(2) 0.31296(17) 0.0266(5) Uani 1 1 d .
H21A H 0.5695 0.2257 0.3256 0.032 Uiso 1 1 calc R
C22 C 0.5678(2) 0.0505(2) 0.33871(17) 0.0285(5) Uani 1 1 d .
H22A H 0.5046 0.0463 0.3677 0.034 Uiso 1 1 calc R
C23 C 0.6184(2) -0.0518(2) 0.32381(17) 0.0279(5) Uani 1 1 d .
C24 C 0.5749(3) -0.1687(3) 0.3518(2) 0.0428(7) Uani 1 1 d .
H24A H 0.6209 -0.2298 0.3350 0.064 Uiso 1 1 calc R
H24B H 0.4858 -0.1857 0.3183 0.064 Uiso 1 1 calc R
H24C H 0.5896 -0.1667 0.4201 0.064 Uiso 1 1 calc R
C25 C 0.7146(2) -0.0411(2) 0.28518(17) 0.0254(4) Uani 1 1 d .
H25A H 0.7535 -0.1089 0.2765 0.030 Uiso 1 1 calc R
C26 C 0.7559(2) 0.06674(19) 0.25866(15) 0.0210(4) Uani 1 1 d .
C27 C 1.0063(2) -0.00403(19) 0.28086(15) 0.0211(4) Uani 1 1 d .
H27A H 0.9695 -0.0863 0.2786 0.025 Uiso 1 1 calc R
C28 C 1.1132(2) -0.0018(2) 0.23931(17) 0.0285(5) Uani 1 1 d .
H28A H 1.1429 0.0803 0.2344 0.034 Uiso 1 1 calc R
H28B H 1.0825 -0.0389 0.1748 0.034 Uiso 1 1 calc R
C29 C 1.2217(3) -0.0665(3) 0.30062(19) 0.0355(6) Uani 1 1 d .
H29A H 1.1944 -0.1505 0.3001 0.043 Uiso 1 1 calc R
H29B H 1.2908 -0.0597 0.2737 0.043 Uiso 1 1 calc R
C30 C 1.2677(2) -0.0164(3) 0.40206(19) 0.0346(6) Uani 1 1 d .
H30A H 1.3352 -0.0617 0.4406 0.042 Uiso 1 1 calc R
H30B H 1.3018 0.0657 0.4034 0.042 Uiso 1 1 calc R
C31 C 1.1619(2) -0.0214(3) 0.44382(18) 0.0363(6) Uani 1 1 d .
H31A H 1.1927 0.0136 0.5090 0.044 Uiso 1 1 calc R
H31B H 1.1323 -0.1041 0.4470 0.044 Uiso 1 1 calc R
C32 C 1.0538(2) 0.0442(2) 0.38416(16) 0.0286(5) Uani 1 1 d .
H32A H 1.0815 0.1283 0.3859 0.034 Uiso 1 1 calc R
H32B H 0.9851 0.0368 0.4114 0.034 Uiso 1 1 calc R
C33 C 0.8286(2) 0.02609(19) 0.09036(16) 0.0215(4) Uani 1 1 d .
H33A H 0.8982 0.0390 0.0634 0.026 Uiso 1 1 calc R
C34 C 0.7216(2) 0.0957(2) 0.03222(17) 0.0260(5) Uani 1 1 d .
H34A H 0.6520 0.0870 0.0585 0.031 Uiso 1 1 calc R
H34B H 0.7507 0.1797 0.0368 0.031 Uiso 1 1 calc R
C35 C 0.6760(3) 0.0525(2) -0.07141(18) 0.0346(6) Uani 1 1 d .
H35A H 0.6044 0.0956 -0.1065 0.042 Uiso 1 1 calc R
H35B H 0.7431 0.0690 -0.0994 0.042 Uiso 1 1 calc R
C36 C 0.6370(3) -0.0776(2) -0.0821(2) 0.0379(6) Uani 1 1 d .
H36A H 0.6127 -0.1033 -0.1496 0.046 Uiso 1 1 calc R
H36B H 0.5637 -0.0932 -0.0607 0.046 Uiso 1 1 calc R
C37 C 0.7415(3) -0.1472(2) -0.02490(19) 0.0356(6) Uani 1 1 d .
H37A H 0.8111 -0.1391 -0.0512 0.043 Uiso 1 1 calc R
H37B H 0.7115 -0.2310 -0.0299 0.043 Uiso 1 1 calc R
C38 C 0.7884(2) -0.1051(2) 0.07950(18) 0.0290(5) Uani 1 1 d .
H38A H 0.7215 -0.1214 0.1078 0.035 Uiso 1 1 calc R
H38B H 0.8597 -0.1488 0.1140 0.035 Uiso 1 1 calc R
C39 C 0.5000 0.5000 0.5000 0.34(2) Uiso 1 2 d S
C40 C 0.439(2) 0.450(2) 0.4337(19) 0.319(10) Uiso 1 1 d .
C41 C 0.3550(16) 0.3696(14) 0.3623(12) 0.244(7) Uiso 1 1 d .
H1 H 1.052(3) 0.292(3) 0.218(2) 0.044(9) Uiso 1 1 d 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'
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_3
N1 Pd1 P2 83.42(5) .
N1 Pd1 P1 82.93(5) .
P2 Pd1 P1 165.11(2) .
N1 Pd1 H1 179.5(13) .
P2 Pd1 H1 96.8(13) .
P1 Pd1 H1 96.9(13) .
C20 N1 C1 124.38(19) .
C20 N1 Pd1 117.72(14) .
C1 N1 Pd1 117.46(15) .
C7 P1 C14 106.42(11) .
C7 P1 C8 106.63(11) .
C14 P1 C8 104.51(11) .
C7 P1 Pd1 98.97(8) .
C14 P1 Pd1 120.05(8) .
C8 P1 Pd1 118.77(8) .
C26 P2 C27 107.33(10) .
C26 P2 C33 106.32(10) .
C27 P2 C33 107.40(10) .
C26 P2 Pd1 99.74(7) .
C27 P2 Pd1 120.14(7) .
C33 P2 Pd1 114.57(7) .
N1 C1 C7 118.2(2) .
N1 C1 C2 125.4(2) .
C7 C1 C2 116.1(2) .
C3 C2 C1 121.2(2) .
C3 C2 H2A 119.4 .
C1 C2 H2A 119.4 .
C2 C3 C4 122.7(2) .
C2 C3 H3A 118.7 .
C4 C3 H3A 118.7 .
C3 C4 C6 116.7(2) .
C3 C4 C5 121.6(2) .
C6 C4 C5 121.6(3) .
C4 C5 H5A 109.5 .
C4 C5 H5B 109.5 .
H5A C5 H5B 109.5 .
C4 C5 H5C 109.5 .
H5A C5 H5C 109.5 .
H5B C5 H5C 109.5 .
C7 C6 C4 121.9(2) .
C7 C6 H6A 119.1 .
C4 C6 H6A 119.1 .
C6 C7 C1 121.4(2) .
C6 C7 P1 122.94(19) .
C1 C7 P1 115.68(16) .
C13 C8 C9 119.2(2) .
C13 C8 P1 121.48(19) .
C9 C8 P1 119.3(2) .
C8 C9 C10 120.0(3) .
C8 C9 H9A 120.0 .
C10 C9 H9A 120.0 .
C11 C10 C9 120.3(3) .
C11 C10 H10A 119.9 .
C9 C10 H10A 119.9 .
C12 C11 C10 119.9(3) .
C12 C11 H11A 120.1 .
C10 C11 H11A 120.1 .
C11 C12 C13 120.3(3) .
C11 C12 H12A 119.9 .
C13 C12 H12A 119.9 .
C8 C13 C12 120.3(3) .
C8 C13 H13A 119.8 .
C12 C13 H13A 119.8 .
C19 C14 C15 119.2(2) .
C19 C14 P1 120.22(19) .
C15 C14 P1 120.19(19) .
C16 C15 C14 119.8(3) .
C16 C15 H15A 120.1 .
C14 C15 H15A 120.1 .
C17 C16 C15 120.5(3) .
C17 C16 H16A 119.8 .
C15 C16 H16A 119.8 .
C16 C17 C18 120.0(3) .
C16 C17 H17A 120.0 .
C18 C17 H17A 120.0 .
C19 C18 C17 120.1(3) .
C19 C18 H18A 120.0 .
C17 C18 H18A 120.0 .
C18 C19 C14 120.4(3) .
C18 C19 H19A 119.8 .
C14 C19 H19A 119.8 .
N1 C20 C21 125.3(2) .
N1 C20 C26 118.2(2) .
C21 C20 C26 116.3(2) .
C22 C21 C20 121.4(2) .
C22 C21 H21A 119.3 .
C20 C21 H21A 119.3 .
C21 C22 C23 122.5(2) .
C21 C22 H22A 118.7 .
C23 C22 H22A 118.7 .
C22 C23 C25 117.0(2) .
C22 C23 C24 121.8(2) .
C25 C23 C24 121.2(2) .
C23 C24 H24A 109.5 .
C23 C24 H24B 109.5 .
H24A C24 H24B 109.5 .
C23 C24 H24C 109.5 .
H24A C24 H24C 109.5 .
H24B C24 H24C 109.5 .
C23 C25 C26 121.9(2) .
C23 C25 H25A 119.1 .
C26 C25 H25A 119.1 .
C25 C26 C20 120.7(2) .
C25 C26 P2 123.71(17) .
C20 C26 P2 115.57(17) .
C28 C27 C32 110.39(19) .
C28 C27 P2 110.30(16) .
C32 C27 P2 108.24(15) .
C28 C27 H27A 109.3 .
C32 C27 H27A 109.3 .
P2 C27 H27A 109.3 .
C27 C28 C29 111.5(2) .
C27 C28 H28A 109.3 .
C29 C28 H28A 109.3 .
C27 C28 H28B 109.3 .
C29 C28 H28B 109.3 .
H28A C28 H28B 108.0 .
C30 C29 C28 111.2(2) .
C30 C29 H29A 109.4 .
C28 C29 H29A 109.4 .
C30 C29 H29B 109.4 .
C28 C29 H29B 109.4 .
H29A C29 H29B 108.0 .
C31 C30 C29 110.4(2) .
C31 C30 H30A 109.6 .
C29 C30 H30A 109.6 .
C31 C30 H30B 109.6 .
C29 C30 H30B 109.6 .
H30A C30 H30B 108.1 .
C30 C31 C32 111.1(2) .
C30 C31 H31A 109.4 .
C32 C31 H31A 109.4 .
C30 C31 H31B 109.4 .
C32 C31 H31B 109.4 .
H31A C31 H31B 108.0 .
C31 C32 C27 111.3(2) .
C31 C32 H32A 109.4 .
C27 C32 H32A 109.4 .
C31 C32 H32B 109.4 .
C27 C32 H32B 109.4 .
H32A C32 H32B 108.0 .
C38 C33 C34 110.46(19) .
C38 C33 P2 115.06(16) .
C34 C33 P2 109.01(15) .
C38 C33 H33A 107.3 .
C34 C33 H33A 107.3 .
P2 C33 H33A 107.3 .
C35 C34 C33 110.86(19) .
C35 C34 H34A 109.5 .
C33 C34 H34A 109.5 .
C35 C34 H34B 109.5 .
C33 C34 H34B 109.5 .
H34A C34 H34B 108.1 .
C36 C35 C34 111.7(2) .
C36 C35 H35A 109.3 .
C34 C35 H35A 109.3 .
C36 C35 H35B 109.3 .
C34 C35 H35B 109.3 .
H35A C35 H35B 107.9 .
C35 C36 C37 111.3(2) .
C35 C36 H36A 109.4 .
C37 C36 H36A 109.4 .
C35 C36 H36B 109.4 .
C37 C36 H36B 109.4 .
H36A C36 H36B 108.0 .
C36 C37 C38 111.4(2) .
C36 C37 H37A 109.3 .
C38 C37 H37A 109.3 .
C36 C37 H37B 109.3 .
C38 C37 H37B 109.3 .
H37A C37 H37B 108.0 .
C33 C38 C37 111.2(2) .
C33 C38 H38A 109.4 .
C37 C38 H38A 109.4 .
C33 C38 H38B 109.4 .
C37 C38 H38B 109.4 .
H38A C38 H38B 108.0 .
C40 C39 C40 180(2) 2_666
C39 C40 C41 168(2) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 N1 2.0833(19) .
Pd1 P2 2.2614(6) .
Pd1 P1 2.2692(6) .
Pd1 H1 1.55(3) .
N1 C20 1.387(3) .
N1 C1 1.390(3) .
P1 C7 1.808(2) .
P1 C14 1.819(2) .
P1 C8 1.822(2) .
P2 C26 1.816(2) .
P2 C27 1.836(2) .
P2 C33 1.841(2) .
C1 C7 1.415(3) .
C1 C2 1.415(3) .
C2 C3 1.386(3) .
C2 H2A 0.9500 .
C3 C4 1.386(4) .
C3 H3A 0.9500 .
C4 C6 1.398(4) .
C4 C5 1.511(4) .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 C7 1.393(3) .
C6 H6A 0.9500 .
C8 C13 1.383(4) .
C8 C9 1.391(4) .
C9 C10 1.393(4) .
C9 H9A 0.9500 .
C10 C11 1.377(5) .
C10 H10A 0.9500 .
C11 C12 1.376(5) .
C11 H11A 0.9500 .
C12 C13 1.392(4) .
C12 H12A 0.9500 .
C13 H13A 0.9500 .
C14 C19 1.391(3) .
C14 C15 1.393(4) .
C15 C16 1.391(4) .
C15 H15A 0.9500 .
C16 C17 1.374(5) .
C16 H16A 0.9500 .
C17 C18 1.384(4) .
C17 H17A 0.9500 .
C18 C19 1.381(4) .
C18 H18A 0.9500 .
C19 H19A 0.9500 .
C20 C21 1.410(3) .
C20 C26 1.423(3) .
C21 C22 1.380(4) .
C21 H21A 0.9500 .
C22 C23 1.390(4) .
C22 H22A 0.9500 .
C23 C25 1.390(3) .
C23 C24 1.509(4) .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 C26 1.400(3) .
C25 H25A 0.9500 .
C27 C28 1.531(3) .
C27 C32 1.540(3) .
C27 H27A 1.0000 .
C28 C29 1.535(3) .
C28 H28A 0.9900 .
C28 H28B 0.9900 .
C29 C30 1.523(4) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C30 C31 1.521(4) .
C30 H30A 0.9900 .
C30 H30B 0.9900 .
C31 C32 1.530(3) .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C33 C38 1.531(3) .
C33 C34 1.541(3) .
C33 H33A 1.0000 .
C34 C35 1.527(3) .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
C35 C36 1.517(4) .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C36 C37 1.518(4) .
C36 H36A 0.9900 .
C36 H36B 0.9900 .
C37 C38 1.534(4) .
C37 H37A 0.9900 .
C37 H37B 0.9900 .
C38 H38A 0.9900 .
C38 H38B 0.9900 .
C39 C40 1.13(3) .
C39 C40 1.13(3) 2_666
C40 C41 1.44(3) .
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
P2 Pd1 N1 C20 22.43(15) .
P1 Pd1 N1 C20 -163.54(16) .
P2 Pd1 N1 C1 -150.27(16) .
P1 Pd1 N1 C1 23.76(15) .
N1 Pd1 P1 C7 -20.07(10) .
P2 Pd1 P1 C7 3.62(12) .
N1 Pd1 P1 C14 -135.03(11) .
P2 Pd1 P1 C14 -111.33(12) .
N1 Pd1 P1 C8 94.58(11) .
P2 Pd1 P1 C8 118.28(12) .
N1 Pd1 P2 C26 -16.68(9) .
P1 Pd1 P2 C26 -40.35(12) .
N1 Pd1 P2 C27 -133.37(10) .
P1 Pd1 P2 C27 -157.04(11) .
N1 Pd1 P2 C33 96.40(10) .
P1 Pd1 P2 C33 72.73(12) .
C20 N1 C1 C7 170.3(2) .
Pd1 N1 C1 C7 -17.6(3) .
C20 N1 C1 C2 -15.1(4) .
Pd1 N1 C1 C2 157.1(2) .
N1 C1 C2 C3 -174.3(2) .
C7 C1 C2 C3 0.4(4) .
C1 C2 C3 C4 -0.1(4) .
C2 C3 C4 C6 -0.4(4) .
C2 C3 C4 C5 177.4(3) .
C3 C4 C6 C7 0.6(4) .
C5 C4 C6 C7 -177.2(3) .
C4 C6 C7 C1 -0.3(4) .
C4 C6 C7 P1 177.9(2) .
N1 C1 C7 C6 174.9(2) .
C2 C1 C7 C6 -0.2(3) .
N1 C1 C7 P1 -3.4(3) .
C2 C1 C7 P1 -178.51(18) .
C14 P1 C7 C6 -34.2(2) .
C8 P1 C7 C6 76.9(2) .
Pd1 P1 C7 C6 -159.32(19) .
C14 P1 C7 C1 144.03(17) .
C8 P1 C7 C1 -104.83(18) .
Pd1 P1 C7 C1 18.93(18) .
C7 P1 C8 C13 -26.2(3) .
C14 P1 C8 C13 86.3(2) .
Pd1 P1 C8 C13 -136.7(2) .
C7 P1 C8 C9 152.6(2) .
C14 P1 C8 C9 -94.9(2) .
Pd1 P1 C8 C9 42.1(2) .
C13 C8 C9 C10 -1.1(4) .
P1 C8 C9 C10 -179.9(2) .
C8 C9 C10 C11 1.4(5) .
C9 C10 C11 C12 -1.0(5) .
C10 C11 C12 C13 0.2(5) .
C9 C8 C13 C12 0.3(4) .
P1 C8 C13 C12 179.1(2) .
C11 C12 C13 C8 0.2(5) .
C7 P1 C14 C19 -42.2(2) .
C8 P1 C14 C19 -154.8(2) .
Pd1 P1 C14 C19 68.8(2) .
C7 P1 C14 C15 144.7(2) .
C8 P1 C14 C15 32.1(2) .
Pd1 P1 C14 C15 -104.3(2) .
C19 C14 C15 C16 0.7(4) .
P1 C14 C15 C16 173.8(2) .
C14 C15 C16 C17 0.1(5) .
C15 C16 C17 C18 -0.2(5) .
C16 C17 C18 C19 -0.5(4) .
C17 C18 C19 C14 1.2(4) .
C15 C14 C19 C18 -1.3(4) .
P1 C14 C19 C18 -174.5(2) .
C1 N1 C20 C21 -32.3(3) .
Pd1 N1 C20 C21 155.54(18) .
C1 N1 C20 C26 152.4(2) .
Pd1 N1 C20 C26 -19.7(3) .
N1 C20 C21 C22 179.5(2) .
C26 C20 C21 C22 -5.1(3) .
C20 C21 C22 C23 1.1(4) .
C21 C22 C23 C25 2.9(4) .
C21 C22 C23 C24 -179.5(2) .
C22 C23 C25 C26 -2.6(4) .
C24 C23 C25 C26 179.8(2) .
C23 C25 C26 C20 -1.6(4) .
C23 C25 C26 P2 177.08(18) .
N1 C20 C26 C25 -178.9(2) .
C21 C20 C26 C25 5.4(3) .
N1 C20 C26 P2 2.3(3) .
C21 C20 C26 P2 -173.42(16) .
C27 P2 C26 C25 -39.7(2) .
C33 P2 C26 C25 75.0(2) .
Pd1 P2 C26 C25 -165.62(18) .
C27 P2 C26 C20 139.11(17) .
C33 P2 C26 C20 -106.19(17) .
Pd1 P2 C26 C20 13.15(17) .
C26 P2 C27 C28 173.96(16) .
C33 P2 C27 C28 59.98(18) .
Pd1 P2 C27 C28 -73.33(17) .
C26 P2 C27 C32 -65.18(18) .
C33 P2 C27 C32 -179.16(16) .
Pd1 P2 C27 C32 47.53(18) .
C32 C27 C28 C29 54.5(3) .
P2 C27 C28 C29 174.05(18) .
C27 C28 C29 C30 -56.0(3) .
C28 C29 C30 C31 56.9(3) .
C29 C30 C31 C32 -57.3(3) .
C30 C31 C32 C27 56.7(3) .
C28 C27 C32 C31 -54.9(3) .
P2 C27 C32 C31 -175.68(18) .
C26 P2 C33 C38 -62.61(19) .
C27 P2 C33 C38 52.0(2) .
Pd1 P2 C33 C38 -171.74(15) .
C26 P2 C33 C34 62.08(18) .
C27 P2 C33 C34 176.74(16) .
Pd1 P2 C33 C34 -47.05(18) .
C38 C33 C34 C35 -55.7(3) .
P2 C33 C34 C35 177.00(18) .
C33 C34 C35 C36 56.0(3) .
C34 C35 C36 C37 -55.7(3) .
C35 C36 C37 C38 55.3(4) .
C34 C33 C38 C37 55.5(3) .
P2 C33 C38 C37 179.49(18) .
C36 C37 C38 C33 -55.6(3) .
C40 C39 C40 C41 -60(43) 2_666
