#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:17:38 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179783 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/79/7007991.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_7007991
loop_
_publ_author_name
'Bedford, Robin B.'
'Coles, Simon J.'
'Hursthouse, Michael B.'
'Scordia, Véronique J M'
_publ_section_title
;
 Polystyrene-supported dicyclohexylphenylphosphine adducts of amine-
 and phosphite-based palladacycles in the Suzuki coupling of aryl
 chlorides.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              991
_journal_page_last               995
_journal_paper_doi               10.1039/b415286g
_journal_year                    2005
_chemical_formula_sum            'C29 H39 F3 N O2 P Pd'
_chemical_formula_weight         627.98
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 108.377(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.4166(19)
_cell_length_b                   11.8901(6)
_cell_length_c                   18.106(2)
_cell_measurement_reflns_used    26758
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.91
_cell_volume                     2741.1(5)
_computing_cell_refinement       'DENZO & COLLECT'
_computing_data_collection
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, 1998)'
_computing_data_reduction        'DENZO & COLLECT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker-Nonius KappaCCD'
_diffrn_measurement_method       'Φ & ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Bruker-Nonius FR591 rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0482
_diffrn_reflns_av_sigmaI/netI    0.0306
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            34543
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.95
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.783
_exptl_absorpt_correction_T_max  0.7990
_exptl_absorpt_correction_T_min  0.6726
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2.10 (Sheldrick, G.M., (2003)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.522
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block/prism
_exptl_crystal_F_000             1296
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.940
_refine_diff_density_min         -1.281
_refine_diff_density_rms         0.089
_refine_ls_extinction_coef       0.0022(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     335
_refine_ls_number_reflns         6280
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0395
_refine_ls_R_factor_gt           0.0328
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0357P)²+4.6990P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0775
_refine_ls_wR_factor_ref         0.0818
_reflns_number_gt                5500
_reflns_number_total             6280
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b415286g.txt
_cod_data_source_block           04src0222
_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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        2741.0(5)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7007991
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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 0.87319(19) 0.5015(2) 0.06658(14) 0.0193(5) Uani 1 1 d . . .
C2 C 0.78619(18) 0.4470(2) 0.01891(14) 0.0194(5) Uani 1 1 d . . .
H2 H 0.7592 0.3839 0.0385 0.023 Uiso 1 1 calc R . .
C3 C 0.7368(2) 0.4817(2) -0.05689(15) 0.0241(5) Uani 1 1 d . . .
H3 H 0.6766 0.4424 -0.0882 0.029 Uiso 1 1 calc R . .
C4 C 0.7739(2) 0.5718(3) -0.08686(15) 0.0293(6) Uani 1 1 d . . .
H4 H 0.7383 0.5976 -0.1381 0.035 Uiso 1 1 calc R . .
C5 C 0.8630(2) 0.6245(3) -0.04221(16) 0.0280(6) Uani 1 1 d . . .
H5 H 0.8908 0.6857 -0.0632 0.034 Uiso 1 1 calc R . .
C6 C 0.9131(2) 0.5894(2) 0.03335(15) 0.0236(5) Uani 1 1 d . . .
C7 C 1.0148(2) 0.6401(2) 0.07946(15) 0.0246(5) Uani 1 1 d . . .
H7A H 1.0732 0.6013 0.0675 0.030 Uiso 1 1 calc R . .
H7B H 1.0163 0.7205 0.0655 0.030 Uiso 1 1 calc R . .
C8 C 1.1373(2) 0.6464(3) 0.20903(17) 0.0306(6) Uani 1 1 d . . .
H8A H 1.1807 0.5890 0.1952 0.046 Uiso 1 1 calc R . .
H8B H 1.1448 0.6404 0.2645 0.046 Uiso 1 1 calc R . .
H8C H 1.1601 0.7212 0.1982 0.046 Uiso 1 1 calc R . .
C9 C 0.9631(2) 0.7159(2) 0.18427(17) 0.0302(6) Uani 1 1 d . . .
H9A H 0.8893 0.7048 0.1534 0.045 Uiso 1 1 calc R . .
H9B H 0.9860 0.7907 0.1736 0.045 Uiso 1 1 calc R . .
H9C H 0.9706 0.7098 0.2397 0.045 Uiso 1 1 calc R . .
C10 C 1.14778(18) 0.4150(2) 0.30682(13) 0.0168(5) Uani 1 1 d . . .
C11 C 1.20120(19) 0.3973(2) 0.39426(14) 0.0214(5) Uani 1 1 d . . .
C12 C 0.72586(17) 0.32598(19) 0.15839(12) 0.0134(4) Uani 1 1 d . . .
C13 C 0.67352(18) 0.4279(2) 0.14999(13) 0.0173(5) Uani 1 1 d . . .
H13 H 0.7125 0.4958 0.1625 0.021 Uiso 1 1 calc R . .
C14 C 0.56545(19) 0.4316(2) 0.12370(14) 0.0207(5) Uani 1 1 d . . .
H14 H 0.5302 0.5020 0.1180 0.025 Uiso 1 1 calc R . .
C15 C 0.50859(19) 0.3339(2) 0.10578(14) 0.0204(5) Uani 1 1 d . . .
H15 H 0.4340 0.3365 0.0886 0.025 Uiso 1 1 calc R . .
C16 C 0.55944(19) 0.2323(2) 0.11267(14) 0.0205(5) Uani 1 1 d . . .
H16 H 0.5201 0.1648 0.0989 0.025 Uiso 1 1 calc R . .
C17 C 0.66774(18) 0.2283(2) 0.13955(13) 0.0170(5) Uani 1 1 d . . .
H17 H 0.7026 0.1578 0.1451 0.020 Uiso 1 1 calc R . .
C18 C 0.91215(17) 0.18930(19) 0.18198(12) 0.0134(4) Uani 1 1 d . . .
H18 H 0.8664 0.1316 0.1953 0.016 Uiso 1 1 calc R . .
C19 C 0.9020(2) 0.1752(2) 0.09633(14) 0.0213(5) Uani 1 1 d . . .
H19A H 0.8277 0.1855 0.0643 0.026 Uiso 1 1 calc R . .
H19B H 0.9443 0.2335 0.0810 0.026 Uiso 1 1 calc R . .
C20 C 0.9391(2) 0.0595(2) 0.08114(15) 0.0256(6) Uani 1 1 d . . .
H20A H 0.8916 0.0018 0.0908 0.031 Uiso 1 1 calc R . .
H20B H 0.9360 0.0541 0.0259 0.031 Uiso 1 1 calc R . .
C21 C 1.0502(2) 0.0365(2) 0.13255(15) 0.0241(5) Uani 1 1 d . . .
H21A H 1.0700 -0.0414 0.1236 0.029 Uiso 1 1 calc R . .
H21B H 1.0990 0.0885 0.1187 0.029 Uiso 1 1 calc R . .
C22 C 1.0600(2) 0.0512(2) 0.21726(14) 0.0215(5) Uani 1 1 d . . .
H22A H 1.1340 0.0396 0.2495 0.026 Uiso 1 1 calc R . .
H22B H 1.0166 -0.0061 0.2325 0.026 Uiso 1 1 calc R . .
C23 C 1.02476(18) 0.1675(2) 0.23261(14) 0.0188(5) Uani 1 1 d . . .
H23A H 1.0717 0.2246 0.2214 0.023 Uiso 1 1 calc R . .
H23B H 1.0297 0.1741 0.2882 0.023 Uiso 1 1 calc R . .
C24 C 0.88111(17) 0.32432(19) 0.30526(12) 0.0132(4) Uani 1 1 d . . .
H24 H 0.9579 0.3168 0.3335 0.016 Uiso 1 1 calc R . .
C25 C 0.82833(19) 0.2244(2) 0.32907(13) 0.0166(5) Uani 1 1 d . . .
H25A H 0.8546 0.1541 0.3124 0.020 Uiso 1 1 calc R . .
H25B H 0.7516 0.2284 0.3027 0.020 Uiso 1 1 calc R . .
C26 C 0.8501(2) 0.2222(2) 0.41636(13) 0.0196(5) Uani 1 1 d . . .
H26A H 0.8107 0.1593 0.4300 0.024 Uiso 1 1 calc R . .
H26B H 0.9259 0.2088 0.4424 0.024 Uiso 1 1 calc R . .
C27 C 0.8186(2) 0.3310(2) 0.44558(14) 0.0199(5) Uani 1 1 d . . .
H27A H 0.8392 0.3289 0.5031 0.024 Uiso 1 1 calc R . .
H27B H 0.7413 0.3394 0.4251 0.024 Uiso 1 1 calc R . .
C28 C 0.8700(2) 0.4309(2) 0.42054(14) 0.0197(5) Uani 1 1 d . . .
H28A H 0.9469 0.4270 0.4459 0.024 Uiso 1 1 calc R . .
H28B H 0.8443 0.5011 0.4376 0.024 Uiso 1 1 calc R . .
C29 C 0.84609(19) 0.4332(2) 0.33302(13) 0.0165(5) Uani 1 1 d . . .
H29A H 0.8830 0.4974 0.3184 0.020 Uiso 1 1 calc R . .
H29B H 0.7697 0.4436 0.3076 0.020 Uiso 1 1 calc R . .
N1 N 1.02813(16) 0.62971(17) 0.16336(12) 0.0174(4) Uani 1 1 d . . .
O1 O 1.05882(13) 0.45945(14) 0.29345(9) 0.0176(3) Uani 1 1 d . . .
O2 O 1.19491(14) 0.38634(16) 0.26335(10) 0.0235(4) Uani 1 1 d . . .
F1 F 1.13926(13) 0.3452(2) 0.42776(10) 0.0483(6) Uani 1 1 d . . .
F2 F 1.22799(15) 0.49428(17) 0.43063(10) 0.0417(5) Uani 1 1 d . . .
F3 F 1.28776(12) 0.33674(14) 0.40987(9) 0.0281(3) Uani 1 1 d . . .
Pd1 Pd 0.957235(13) 0.474948(15) 0.177496(10) 0.01337(7) Uani 1 1 d . . .
P1 P 0.86700(4) 0.32737(5) 0.20130(3) 0.01157(12) 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'
Pd Pd -0.9988 1.0072 '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'
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
C2 C1 C6 116.6(2) . . ?
C2 C1 Pd1 131.01(19) . . ?
C6 C1 Pd1 112.38(19) . . ?
C1 C2 C3 121.9(2) . . ?
C1 C2 H2 119.1 . . ?
C3 C2 H2 119.1 . . ?
C4 C3 C2 120.5(3) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C3 C4 C5 119.1(2) . . ?
C3 C4 H4 120.5 . . ?
C5 C4 H4 120.5 . . ?
C4 C5 C6 120.6(3) . . ?
C4 C5 H5 119.7 . . ?
C6 C5 H5 119.7 . . ?
C5 C6 C1 121.2(2) . . ?
C5 C6 C7 120.5(2) . . ?
C1 C6 C7 118.2(2) . . ?
N1 C7 C6 109.6(2) . . ?
N1 C7 H7A 109.7 . . ?
C6 C7 H7A 109.7 . . ?
N1 C7 H7B 109.7 . . ?
C6 C7 H7B 109.7 . . ?
H7A C7 H7B 108.2 . . ?
N1 C8 H8A 109.5 . . ?
N1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N1 C9 H9A 109.5 . . ?
N1 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
N1 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
O2 C10 O1 131.0(2) . . ?
O2 C10 C11 117.7(2) . . ?
O1 C10 C11 111.3(2) . . ?
F3 C11 F2 106.7(2) . . ?
F3 C11 F1 106.4(2) . . ?
F2 C11 F1 106.9(2) . . ?
F3 C11 C10 112.9(2) . . ?
F2 C11 C10 111.1(2) . . ?
F1 C11 C10 112.3(2) . . ?
C17 C12 C13 118.8(2) . . ?
C17 C12 P1 123.24(18) . . ?
C13 C12 P1 117.78(17) . . ?
C14 C13 C12 120.6(2) . . ?
C14 C13 H13 119.7 . . ?
C12 C13 H13 119.7 . . ?
C15 C14 C13 120.1(2) . . ?
C15 C14 H14 120.0 . . ?
C13 C14 H14 120.0 . . ?
C14 C15 C16 120.0(2) . . ?
C14 C15 H15 120.0 . . ?
C16 C15 H15 120.0 . . ?
C15 C16 C17 120.0(2) . . ?
C15 C16 H16 120.0 . . ?
C17 C16 H16 120.0 . . ?
C12 C17 C16 120.5(2) . . ?
C12 C17 H17 119.7 . . ?
C16 C17 H17 119.7 . . ?
C19 C18 C23 110.35(19) . . ?
C19 C18 P1 111.49(16) . . ?
C23 C18 P1 111.42(16) . . ?
C19 C18 H18 107.8 . . ?
C23 C18 H18 107.8 . . ?
P1 C18 H18 107.8 . . ?
C20 C19 C18 110.8(2) . . ?
C20 C19 H19A 109.5 . . ?
C18 C19 H19A 109.5 . . ?
C20 C19 H19B 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 108.1 . . ?
C21 C20 C19 111.7(2) . . ?
C21 C20 H20A 109.3 . . ?
C19 C20 H20A 109.3 . . ?
C21 C20 H20B 109.3 . . ?
C19 C20 H20B 109.3 . . ?
H20A C20 H20B 107.9 . . ?
C22 C21 C20 111.0(2) . . ?
C22 C21 H21A 109.4 . . ?
C20 C21 H21A 109.4 . . ?
C22 C21 H21B 109.4 . . ?
C20 C21 H21B 109.4 . . ?
H21A C21 H21B 108.0 . . ?
C21 C22 C23 111.1(2) . . ?
C21 C22 H22A 109.4 . . ?
C23 C22 H22A 109.4 . . ?
C21 C22 H22B 109.4 . . ?
C23 C22 H22B 109.4 . . ?
H22A C22 H22B 108.0 . . ?
C22 C23 C18 110.7(2) . . ?
C22 C23 H23A 109.5 . . ?
C18 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C18 C23 H23B 109.5 . . ?
H23A C23 H23B 108.1 . . ?
C25 C24 C29 110.75(18) . . ?
C25 C24 P1 113.71(15) . . ?
C29 C24 P1 112.42(15) . . ?
C25 C24 H24 106.5 . . ?
C29 C24 H24 106.5 . . ?
P1 C24 H24 106.5 . . ?
C24 C25 C26 110.93(19) . . ?
C24 C25 H25A 109.5 . . ?
C26 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
C26 C25 H25B 109.5 . . ?
H25A C25 H25B 108.0 . . ?
C27 C26 C25 111.6(2) . . ?
C27 C26 H26A 109.3 . . ?
C25 C26 H26A 109.3 . . ?
C27 C26 H26B 109.3 . . ?
C25 C26 H26B 109.3 . . ?
H26A C26 H26B 108.0 . . ?
C26 C27 C28 111.3(2) . . ?
C26 C27 H27A 109.4 . . ?
C28 C27 H27A 109.4 . . ?
C26 C27 H27B 109.4 . . ?
C28 C27 H27B 109.4 . . ?
H27A C27 H27B 108.0 . . ?
C27 C28 C29 111.2(2) . . ?
C27 C28 H28A 109.4 . . ?
C29 C28 H28A 109.4 . . ?
C27 C28 H28B 109.4 . . ?
C29 C28 H28B 109.4 . . ?
H28A C28 H28B 108.0 . . ?
C28 C29 C24 110.22(19) . . ?
C28 C29 H29A 109.6 . . ?
C24 C29 H29A 109.6 . . ?
C28 C29 H29B 109.6 . . ?
C24 C29 H29B 109.6 . . ?
H29A C29 H29B 108.1 . . ?
C8 N1 C9 109.4(2) . . ?
C8 N1 C7 110.4(2) . . ?
C9 N1 C7 108.5(2) . . ?
C8 N1 Pd1 117.40(16) . . ?
C9 N1 Pd1 104.38(15) . . ?
C7 N1 Pd1 106.43(15) . . ?
C10 O1 Pd1 120.14(15) . . ?
C1 Pd1 O1 173.67(8) . . ?
C1 Pd1 N1 82.77(9) . . ?
O1 Pd1 N1 91.27(7) . . ?
C1 Pd1 P1 98.56(8) . . ?
O1 Pd1 P1 87.66(5) . . ?
N1 Pd1 P1 170.98(6) . . ?
C12 P1 C18 106.03(10) . . ?
C12 P1 C24 101.33(10) . . ?
C18 P1 C24 104.28(10) . . ?
C12 P1 Pd1 118.64(8) . . ?
C18 P1 Pd1 115.76(8) . . ?
C24 P1 Pd1 108.96(7) . . ?
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 C2 1.375(4) . ?
C1 C6 1.395(4) . ?
C1 Pd1 1.994(2) . ?
C2 C3 1.385(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.365(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.365(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.385(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.484(4) . ?
C7 N1 1.478(3) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 N1 1.451(3) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 N1 1.471(3) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 O2 1.204(3) . ?
C10 O1 1.257(3) . ?
C10 C11 1.533(3) . ?
C11 F3 1.319(3) . ?
C11 F2 1.320(3) . ?
C11 F1 1.327(3) . ?
C12 C17 1.380(3) . ?
C12 C13 1.384(3) . ?
C12 P1 1.806(2) . ?
C13 C14 1.377(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.371(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.374(4) . ?
C15 H15 0.9500 . ?
C16 C17 1.380(3) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C18 C19 1.522(3) . ?
C18 C23 1.522(3) . ?
C18 P1 1.821(2) . ?
C18 H18 1.0000 . ?
C19 C20 1.517(4) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 C21 1.512(4) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.508(4) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.515(3) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.514(3) . ?
C24 C29 1.516(3) . ?
C24 P1 1.832(2) . ?
C24 H24 1.0000 . ?
C25 C26 1.514(3) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.507(3) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.513(3) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.515(3) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
N1 Pd1 2.124(2) . ?
O1 Pd1 2.1202(16) . ?
Pd1 P1 2.2494(6) . ?
