#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:56:45 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179136 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/98/4309876.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_4309876
loop_
_publ_author_name
'P. Chandrasekaran'
'Joel T. Mague'
'Maravanji S. Balakrishna'
_publ_section_title
;
Cyclodiphosphazanes with Hemilabile Ponytails: Synthesis, Transition
Metal Chemistry (Ru(II), Rh(I), Pd(II), Pt(II)), and Crystal and Molecular
Structures of Mononuclear (Pd(II), Rh(I)) and Bi- and Tetranuclear
Rhodium(I) Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7925
_journal_page_last               7932
_journal_paper_doi               10.1021/ic0509478
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C28 H47 Cl2 N2 O4 P3 Pd'
_chemical_formula_sum            'C28 H47 Cl2 N2 O4 P3 Pd'
_chemical_formula_weight         745.89
_chemical_name_systematic
; 
 cis-Dichloro(triethylphosphine)(1,3-di-tert-butyl-
2,4-bis(2-methoxyphenoxy)-[1,3,2,4]diazadiphosphetidine-
κ-P)palladium(II) 
;
_space_group_IT_number           29
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.008(3)
_cell_length_b                   9.453(1)
_cell_length_c                   16.257(2)
_cell_measurement_reflns_used    7059
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.30
_cell_measurement_theta_min      2.84
_cell_volume                     3382.1(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXM-97 (Bruker, 2002)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0281
_diffrn_reflns_av_sigmaI/netI    0.0312
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            28984
_diffrn_reflns_theta_full        28.30
_diffrn_reflns_theta_max         28.30
_diffrn_reflns_theta_min         1.85
_exptl_absorpt_coefficient_mu    0.883
_exptl_absorpt_correction_T_max  0.9099
_exptl_absorpt_correction_T_min  0.7902
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.465
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1544
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.645
_refine_diff_density_min         -0.259
_refine_diff_density_rms         0.062
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.034(12)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     372
_refine_ls_number_reflns         8108
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0243
_refine_ls_R_factor_gt           0.0228
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0284P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0517
_refine_ls_wR_factor_ref         0.0523
_reflns_number_gt                7799
_reflns_number_total             8108
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0509478si20050611_094153.cif
_cod_data_source_block           msb164
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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        3382.4(7)
_cod_database_code               4309876
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y, z'
'-x+1/2, y, 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
Pd Pd 0.285718(6) 0.657303(13) 0.979163(10) 0.01207(4) Uani 1 1 d . . .
Cl1 Cl 0.25723(2) 0.88154(5) 1.02998(3) 0.01907(10) Uani 1 1 d . . .
Cl2 Cl 0.37578(2) 0.67006(5) 1.05588(3) 0.02167(11) Uani 1 1 d . . .
P1 P 0.19277(2) 0.65057(5) 0.92430(3) 0.01113(10) Uani 1 1 d . . .
P2 P 0.10915(2) 0.83393(5) 0.92708(3) 0.01271(10) Uani 1 1 d . . .
P3 P 0.31690(2) 0.44495(5) 0.92625(4) 0.01497(10) Uani 1 1 d . . .
O1 O 0.18333(6) 0.49563(14) 0.88586(9) 0.0139(3) Uani 1 1 d . . .
O2 O 0.04600(6) 0.76916(14) 0.88637(9) 0.0156(3) Uani 1 1 d . . .
O3 O 0.12002(7) 0.29843(16) 0.96273(9) 0.0232(4) Uani 1 1 d . . .
O4 O -0.01696(7) 0.90623(16) 1.00586(9) 0.0209(3) Uani 1 1 d . . .
N1 N 0.16610(7) 0.77618(17) 0.86200(10) 0.0126(3) Uani 1 1 d . . .
N2 N 0.13270(7) 0.68899(15) 0.98227(12) 0.0120(3) Uani 1 1 d . . .
C1 C 0.13276(8) 0.4380(2) 0.84488(13) 0.0148(4) Uani 1 1 d . . .
C2 C 0.11900(9) 0.4778(2) 0.76598(13) 0.0193(4) Uani 1 1 d . . .
H2 H 0.1403 0.5509 0.7407 0.023 Uiso 1 1 calc R . .
C3 C 0.07288(10) 0.4077(3) 0.72413(14) 0.0251(5) Uani 1 1 d . . .
H3 H 0.0628 0.4341 0.6707 0.030 Uiso 1 1 calc R . .
C4 C 0.04224(10) 0.2992(3) 0.76219(15) 0.0267(5) Uani 1 1 d . . .
H4 H 0.0117 0.2519 0.7338 0.032 Uiso 1 1 calc R . .
C5 C 0.05599(9) 0.2593(2) 0.84157(15) 0.0233(5) Uani 1 1 d . . .
H5 H 0.0346 0.1859 0.8664 0.028 Uiso 1 1 calc R . .
C6 C 0.10201(10) 0.3288(2) 0.88477(13) 0.0177(4) Uani 1 1 d . . .
C7 C 0.08166(13) 0.2070(2) 1.01053(16) 0.0336(6) Uani 1 1 d . . .
H7A H 0.0831 0.1131 0.9882 0.050 Uiso 1 1 calc R . .
H7B H 0.0406 0.2415 1.0089 0.050 Uiso 1 1 calc R . .
H7C H 0.0956 0.2054 1.0665 0.050 Uiso 1 1 calc R . .
C8 C 0.00023(9) 0.86417(19) 0.86546(14) 0.0157(4) Uani 1 1 d . . .
C9 C -0.01393(9) 0.8829(2) 0.78367(14) 0.0194(4) Uani 1 1 d . . .
H9 H 0.0079 0.8350 0.7434 0.023 Uiso 1 1 calc R . .
C10 C -0.06095(10) 0.9736(2) 0.76125(14) 0.0229(5) Uani 1 1 d . . .
H10 H -0.0708 0.9858 0.7061 0.027 Uiso 1 1 calc R . .
C11 C -0.09278(10) 1.0451(2) 0.82114(15) 0.0249(5) Uani 1 1 d . . .
H11 H -0.1235 1.1072 0.8058 0.030 Uiso 1 1 calc R . .
C12 C -0.07986(9) 1.0261(2) 0.90392(14) 0.0214(5) Uani 1 1 d . . .
H12 H -0.1021 1.0741 0.9438 0.026 Uiso 1 1 calc R . .
C13 C -0.03309(9) 0.9340(2) 0.92672(14) 0.0166(4) Uani 1 1 d . . .
C14 C -0.05392(11) 0.9682(3) 1.06882(15) 0.0263(5) Uani 1 1 d . . .
H14A H -0.0956 0.9417 1.0604 0.039 Uiso 1 1 calc R . .
H14B H -0.0503 1.0693 1.0666 0.039 Uiso 1 1 calc R . .
H14C H -0.0407 0.9350 1.1217 0.039 Uiso 1 1 calc R . .
C15 C 0.19444(9) 0.8625(2) 0.79570(13) 0.0157(4) Uani 1 1 d . . .
C16 C 0.24328(10) 0.7741(2) 0.75342(13) 0.0202(4) Uani 1 1 d . . .
H16A H 0.2252 0.6906 0.7304 0.030 Uiso 1 1 calc R . .
H16B H 0.2736 0.7474 0.7929 0.030 Uiso 1 1 calc R . .
H16C H 0.2618 0.8286 0.7103 0.030 Uiso 1 1 calc R . .
C17 C 0.14453(10) 0.9021(2) 0.73463(13) 0.0204(4) Uani 1 1 d . . .
H17A H 0.1159 0.9641 0.7608 0.031 Uiso 1 1 calc R . .
H17B H 0.1241 0.8180 0.7166 0.031 Uiso 1 1 calc R . .
H17C H 0.1622 0.9491 0.6881 0.031 Uiso 1 1 calc R . .
C18 C 0.22252(10) 0.9976(2) 0.83042(15) 0.0237(5) Uani 1 1 d . . .
H18A H 0.2543 0.9734 0.8683 0.035 Uiso 1 1 calc R . .
H18B H 0.1919 1.0513 0.8585 0.035 Uiso 1 1 calc R . .
H18C H 0.2390 1.0531 0.7863 0.035 Uiso 1 1 calc R . .
C19 C 0.11316(9) 0.6454(2) 1.06565(12) 0.0149(4) Uani 1 1 d . . .
C20 C 0.10848(10) 0.7761(2) 1.12045(13) 0.0201(4) Uani 1 1 d . . .
H20A H 0.0783 0.8392 1.0986 0.030 Uiso 1 1 calc R . .
H20B H 0.1471 0.8234 1.1221 0.030 Uiso 1 1 calc R . .
H20C H 0.0971 0.7480 1.1751 0.030 Uiso 1 1 calc R . .
C21 C 0.15993(10) 0.5428(2) 1.10108(13) 0.0195(4) Uani 1 1 d . . .
H21A H 0.1985 0.5895 1.1056 0.029 Uiso 1 1 calc R . .
H21B H 0.1637 0.4624 1.0653 0.029 Uiso 1 1 calc R . .
H21C H 0.1469 0.5119 1.1545 0.029 Uiso 1 1 calc R . .
C22 C 0.05068(9) 0.5744(2) 1.05898(14) 0.0204(4) Uani 1 1 d . . .
H22A H 0.0528 0.4978 1.0203 0.031 Uiso 1 1 calc R . .
H22B H 0.0213 0.6424 1.0406 0.031 Uiso 1 1 calc R . .
H22C H 0.0389 0.5385 1.1119 0.031 Uiso 1 1 calc R . .
C23 C 0.28371(9) 0.2938(2) 0.9798(2) 0.0199(4) Uani 1 1 d . . .
H23A H 0.2401 0.2940 0.9708 0.024 Uiso 1 1 calc R . .
H23B H 0.2999 0.2075 0.9561 0.024 Uiso 1 1 calc R . .
C24 C 0.29586(11) 0.2929(3) 1.07217(15) 0.0270(5) Uani 1 1 d . . .
H24A H 0.2804 0.3784 1.0962 0.040 Uiso 1 1 calc R . .
H24B H 0.3388 0.2868 1.0818 0.040 Uiso 1 1 calc R . .
H24C H 0.2760 0.2129 1.0967 0.040 Uiso 1 1 calc R . .
C25 C 0.39867(9) 0.4146(2) 0.93351(15) 0.0213(4) Uani 1 1 d . . .
H25A H 0.4110 0.4245 0.9905 0.026 Uiso 1 1 calc R . .
H25B H 0.4073 0.3181 0.9168 0.026 Uiso 1 1 calc R . .
C26 C 0.43660(10) 0.5152(2) 0.88086(16) 0.0284(5) Uani 1 1 d . . .
H26A H 0.4327 0.6098 0.9017 0.043 Uiso 1 1 calc R . .
H26B H 0.4224 0.5121 0.8250 0.043 Uiso 1 1 calc R . .
H26C H 0.4785 0.4869 0.8828 0.043 Uiso 1 1 calc R . .
C27 C 0.30221(10) 0.4154(2) 0.81706(13) 0.0221(5) Uani 1 1 d . . .
H27A H 0.2588 0.4022 0.8097 0.027 Uiso 1 1 calc R . .
H27B H 0.3136 0.5002 0.7873 0.027 Uiso 1 1 calc R . .
C28 C 0.33495(10) 0.2899(2) 0.77805(14) 0.0228(5) Uani 1 1 d . . .
H28A H 0.3284 0.2069 0.8109 0.034 Uiso 1 1 calc R . .
H28B H 0.3777 0.3095 0.7751 0.034 Uiso 1 1 calc R . .
H28C H 0.3194 0.2743 0.7236 0.034 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'
Cl Cl 0.1484 0.1585 '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
P1 Pd P3 95.715(19) . . ?
P1 Pd Cl2 171.28(2) . . ?
P3 Pd Cl2 89.518(19) . . ?
P1 Pd Cl1 85.527(18) . . ?
P3 Pd Cl1 177.27(2) . . ?
Cl2 Pd Cl1 89.551(19) . . ?
O1 P1 N2 108.47(8) . . ?
O1 P1 N1 111.57(8) . . ?
N2 P1 N1 84.77(8) . . ?
O1 P1 Pd 107.45(5) . . ?
N2 P1 Pd 119.71(7) . . ?
N1 P1 Pd 123.02(6) . . ?
O1 P1 P2 122.55(6) . . ?
N2 P1 P2 42.42(6) . . ?
N1 P1 P2 42.82(6) . . ?
Pd P1 P2 129.81(3) . . ?
O2 P2 N2 99.61(7) . . ?
O2 P2 N1 104.30(8) . . ?
N2 P2 N1 81.31(8) . . ?
O2 P2 P1 110.49(5) . . ?
N2 P2 P1 40.79(6) . . ?
N1 P2 P1 40.96(5) . . ?
C27 P3 C23 105.86(12) . . ?
C27 P3 C25 102.31(11) . . ?
C23 P3 C25 103.90(10) . . ?
C27 P3 Pd 116.51(7) . . ?
C23 P3 Pd 112.77(8) . . ?
C25 P3 Pd 114.14(7) . . ?
C1 O1 P1 129.79(12) . . ?
C8 O2 P2 117.79(12) . . ?
C6 O3 C7 117.42(18) . . ?
C13 O4 C14 116.66(17) . . ?
C15 N1 P1 133.06(13) . . ?
C15 N1 P2 125.00(13) . . ?
P1 N1 P2 96.22(8) . . ?
C19 N2 P1 133.53(13) . . ?
C19 N2 P2 127.76(13) . . ?
P1 N2 P2 96.78(10) . . ?
C2 C1 C6 122.10(19) . . ?
C2 C1 O1 120.76(18) . . ?
C6 C1 O1 116.78(18) . . ?
C1 C2 C3 119.2(2) . . ?
C1 C2 H2 120.4 . . ?
C3 C2 H2 120.4 . . ?
C4 C3 C2 119.6(2) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C3 C4 C5 121.2(2) . . ?
C3 C4 H4 119.4 . . ?
C5 C4 H4 119.4 . . ?
C4 C5 C6 120.1(2) . . ?
C4 C5 H5 120.0 . . ?
C6 C5 H5 120.0 . . ?
O3 C6 C1 116.68(18) . . ?
O3 C6 C5 125.5(2) . . ?
C1 C6 C5 117.8(2) . . ?
O3 C7 H7A 109.5 . . ?
O3 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
O3 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C9 C8 O2 118.86(19) . . ?
C9 C8 C13 120.46(19) . . ?
O2 C8 C13 120.60(19) . . ?
C8 C9 C10 120.0(2) . . ?
C8 C9 H9 120.0 . . ?
C10 C9 H9 120.0 . . ?
C11 C10 C9 119.7(2) . . ?
C11 C10 H10 120.2 . . ?
C9 C10 H10 120.2 . . ?
C10 C11 C12 121.2(2) . . ?
C10 C11 H11 119.4 . . ?
C12 C11 H11 119.4 . . ?
C11 C12 C13 119.2(2) . . ?
C11 C12 H12 120.4 . . ?
C13 C12 H12 120.4 . . ?
O4 C13 C12 124.3(2) . . ?
O4 C13 C8 116.38(17) . . ?
C12 C13 C8 119.3(2) . . ?
O4 C14 H14A 109.5 . . ?
O4 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
O4 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N1 C15 C16 108.71(16) . . ?
N1 C15 C18 111.13(17) . . ?
C16 C15 C18 109.86(18) . . ?
N1 C15 C17 107.67(17) . . ?
C16 C15 C17 110.37(17) . . ?
C18 C15 C17 109.07(18) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N2 C19 C20 109.19(16) . . ?
N2 C19 C21 109.04(16) . . ?
C20 C19 C21 109.85(18) . . ?
N2 C19 C22 108.50(16) . . ?
C20 C19 C22 109.59(17) . . ?
C21 C19 C22 110.64(17) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C24 C23 P3 113.83(17) . . ?
C24 C23 H23A 108.8 . . ?
P3 C23 H23A 108.8 . . ?
C24 C23 H23B 108.8 . . ?
P3 C23 H23B 108.8 . . ?
H23A C23 H23B 107.7 . . ?
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 . . ?
C26 C25 P3 113.85(15) . . ?
C26 C25 H25A 108.8 . . ?
P3 C25 H25A 108.8 . . ?
C26 C25 H25B 108.8 . . ?
P3 C25 H25B 108.8 . . ?
H25A C25 H25B 107.7 . . ?
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 P3 116.06(16) . . ?
C28 C27 H27A 108.3 . . ?
P3 C27 H27A 108.3 . . ?
C28 C27 H27B 108.3 . . ?
P3 C27 H27B 108.3 . . ?
H27A C27 H27B 107.4 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
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
Pd P1 2.2325(6) . ?
Pd P3 2.2893(6) . ?
Pd Cl2 2.3450(6) . ?
Pd Cl1 2.3599(6) . ?
P1 O1 1.6060(14) . ?
P1 N2 1.6637(17) . ?
P1 N1 1.6674(16) . ?
P1 P2 2.5286(7) . ?
P2 O2 1.6567(14) . ?
P2 N2 1.7178(17) . ?
P2 N1 1.7288(17) . ?
P3 C27 1.826(2) . ?
P3 C23 1.826(2) . ?
P3 C25 1.8261(19) . ?
O1 C1 1.407(2) . ?
O2 C8 1.392(2) . ?
O3 C6 1.359(3) . ?
O3 C7 1.436(3) . ?
O4 C13 1.360(3) . ?
O4 C14 1.433(3) . ?
N1 C15 1.489(2) . ?
N2 C19 1.481(3) . ?
C1 C2 1.371(3) . ?
C1 C6 1.394(3) . ?
C2 C3 1.390(3) . ?
C2 H2 0.9300 . ?
C3 C4 1.375(4) . ?
C3 H3 0.9300 . ?
C4 C5 1.378(3) . ?
C4 H4 0.9300 . ?
C5 C6 1.397(3) . ?
C5 H5 0.9300 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 C9 1.377(3) . ?
C8 C13 1.402(3) . ?
C9 C10 1.392(3) . ?
C9 H9 0.9300 . ?
C10 C11 1.377(3) . ?
C10 H10 0.9300 . ?
C11 C12 1.387(3) . ?
C11 H11 0.9300 . ?
C12 C13 1.398(3) . ?
C12 H12 0.9300 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 C16 1.525(3) . ?
C15 C18 1.527(3) . ?
C15 C17 1.527(3) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 C20 1.527(3) . ?
C19 C21 1.527(3) . ?
C19 C22 1.534(3) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 C24 1.525(4) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 C26 1.528(3) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 C28 1.526(3) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
