# Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2002

data_global

_journal_coden_Cambridge      182


loop_
_publ_author_name
'Paul Newman'
'Robert Haigh'
'K.M Abdul Malik'

_publ_contact_author_name     	'Dr Paul Newman'  
_publ_contact_author_address 
;
Department of Chemistry
Cardiff University
Park Place
PO Box 912
Cardiff
CF10 3TB
UNITED KINGDOM
;

_publ_contact_author_email       'NEWMANP1@CARDIFF.AC.UK'

_publ_requested_journal       'Chemical Communications'


_publ_section_title		
;
Chiral pentacyclic phosphines as a new ligand class
;



data_compound4 

_database_code_CSD	191755


_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
'C26 H37 O2 P1' 
_chemical_formula_weight          412.53 

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' 
'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' 

_symmetry_cell_setting            Orthorhombic 
_symmetry_space_group_name_H-M    P2(1)2(1)2(1) 

loop_ 
_symmetry_equiv_pos_as_xyz 
'x, y, z' 
'-x+1/2, -y, z+1/2' 
'x+1/2, -y+1/2, -z' 
'-x, y+1/2, -z+1/2' 

_cell_length_a                    11.656(2) 
_cell_length_b                    12.060(2) 
_cell_length_c                    16.579(3) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  90.00 
_cell_angle_gamma                 90.00 
_cell_volume                      2330.5(7) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     150(2) 
_cell_measurement_reflns_used     11060 
_cell_measurement_theta_min       2.91 
_cell_measurement_theta_max       27.48 

_exptl_crystal_description        Needle 
_exptl_crystal_colour             Colourless 
_exptl_crystal_size_max           0.4 
_exptl_crystal_size_mid           0.16 
_exptl_crystal_size_min           0.12 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.176 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              896 
_exptl_absorpt_coefficient_mu     0.137 
_exptl_absorpt_correction_type    None 
_exptl_absorpt_correction_T_min   ? 
_exptl_absorpt_correction_T_max   ? 
_exptl_absorpt_process_details    ? 

_exptl_special_details 
; 
? 
; 

_diffrn_ambient_temperature       293(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   
'Bruker Nonius kappa CCD area detector'
_diffrn_measurement_method        
'phi & omega scan to fill Ewald sphere'
_diffrn_detector_area_resol_mean  9 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             16833 
_diffrn_reflns_av_R_equivalents   0.0465 
_diffrn_reflns_av_sigmaI/netI     0.0453 
_diffrn_reflns_limit_h_min        -14 
_diffrn_reflns_limit_h_max        14 
_diffrn_reflns_limit_k_min        -15 
_diffrn_reflns_limit_k_max        15 
_diffrn_reflns_limit_l_min        -18 
_diffrn_reflns_limit_l_max        21 
_diffrn_reflns_theta_min          2.98 
_diffrn_reflns_theta_max          27.48 
_reflns_number_total              5310 
_reflns_number_gt                 4897 
_reflns_threshold_expression      >2sigma(I) 

_computing_data_collection        'Collect (Hooft, 1998)'
_computing_cell_refinement        
'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_reduction         'Denzo (Otwinowski & Minor 1997)'
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     
'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material   'SHELX-97 (sheldrick, 1997)'

_refine_special_details 
; 
Refinement of F^2^ against ALL reflections.  The weighted R-factor wR 
and 
goodness of fit S are based on F^2^, conventional R-factors R are 
based 
on F, with F set to zero for negative F^2^. The threshold expression 
of 
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. 
and is 
not relevant to the choice of reflections for refinement.  R-factors 
based 
on F^2^ are statistically about twice as large as those based on F, 
and R- 
factors based on ALL data will be even larger. 
; 

_refine_ls_structure_factor_coef  Fsqd  
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc  
_refine_ls_weighting_details 
;
calc w=1/[\s^2^(Fo^2^)+(0.0376P)^2^+0.5025P] where 
P=(Fo^2^+2Fc^2^)/3
; 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     'calculated positions, riding model'
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_abs_structure_details 
'Flack H D (1983), Acta Cryst. A39, 876-881' 
_refine_ls_abs_structure_Flack    -0.07(7) 
_refine_ls_number_reflns          5310 
_refine_ls_number_parameters      268 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0422 
_refine_ls_R_factor_gt            0.0365 
_refine_ls_wR_factor_ref          0.0858 
_refine_ls_wR_factor_gt           0.0831 
_refine_ls_goodness_of_fit_ref    1.035 
_refine_ls_restrained_S_all       1.035 
_refine_ls_shift/su_max           0.000 
_refine_ls_shift/su_mean          0.000 

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 
P1 P 0.44601(3) 0.21888(3) 0.01494(2) 0.01596(9) Uani 1 1 d . . . 
O1 O 0.31932(8) 0.23415(9) 0.02246(7) 0.0224(2) Uani 1 1 d . . . 
O2 O 0.53214(8) 0.44638(8) 0.00920(6) 0.0188(2) Uani 1 1 d . . . 
C1 C 0.53351(12) 0.27730(14) 0.09573(9) 0.0169(3) Uani 1 1 d . . . 
H1 H 0.5987 0.2271 0.1034 0.020 Uiso 1 1 calc R . . 
C2 C 0.47685(13) 0.29373(14) 0.18025(9) 0.0183(3) Uani 1 1 d . . . 
H2 H 0.4156 0.2409 0.1931 0.022 Uiso 1 1 calc R . . 
C3 C 0.57837(14) 0.29376(14) 0.23988(10) 0.0232(3) Uani 1 1 d . . . 
H3A H 0.6282 0.2305 0.2311 0.028 Uiso 1 1 calc R . . 
H3B H 0.5519 0.2933 0.2953 0.028 Uiso 1 1 calc R . . 
C4 C 0.64011(14) 0.40429(14) 0.21898(10) 0.0236(4) Uani 1 1 d . . . 
H4A H 0.6475 0.4509 0.2664 0.028 Uiso 1 1 calc R . . 
H4B H 0.7158 0.3904 0.1969 0.028 Uiso 1 1 calc R . . 
C5 C 0.56086(14) 0.45931(13) 0.15519(9) 0.0189(3) Uani 1 1 d . . . 
C6 C 0.44044(13) 0.41729(13) 0.18232(9) 0.0191(3) Uani 1 1 d . . . 
C7 C 0.34041(14) 0.44952(15) 0.12714(10) 0.0240(4) Uani 1 1 d . . . 
H7A H 0.2709 0.4166 0.1469 0.036 Uiso 1 1 calc R . . 
H7B H 0.3553 0.4234 0.0734 0.036 Uiso 1 1 calc R . . 
H7C H 0.3324 0.5287 0.1265 0.036 Uiso 1 1 calc R . . 
C8 C 0.40638(15) 0.45600(16) 0.26765(10) 0.0288(4) Uani 1 1 d . . . 
H8A H 0.3833 0.5324 0.2658 0.043 Uiso 1 1 calc R . . 
H8B H 0.4708 0.4482 0.3033 0.043 Uiso 1 1 calc R . . 
H8C H 0.3438 0.4116 0.2870 0.043 Uiso 1 1 calc R . . 
C9 C 0.57877(16) 0.58321(14) 0.14563(11) 0.0290(4) Uani 1 1 d . . . 
H9A H 0.6549 0.5970 0.1259 0.043 Uiso 1 1 calc R . . 
H9B H 0.5690 0.6190 0.1969 0.043 Uiso 1 1 calc R . . 
H9C H 0.5238 0.6121 0.1080 0.043 Uiso 1 1 calc R . . 
C10 C 0.58435(12) 0.39428(13) 0.07741(9) 0.0171(3) Uani 1 1 d . . . 
H10 H 0.6673 0.3883 0.0688 0.021 Uiso 1 1 calc R . . 
C11 C 0.56697(13) 0.39340(13) -0.06349(9) 0.0174(3) Uani 1 1 d . . . 
H11 H 0.6509 0.3897 -0.0650 0.021 Uiso 1 1 calc R . . 
C12 C 0.52430(14) 0.45740(15) -0.13749(10) 0.0221(3) Uani 1 1 d . . . 
C13 C 0.58983(18) 0.56398(16) -0.15201(11) 0.0354(5) Uani 1 1 d . . . 
H13A H 0.5778 0.6136 -0.1075 0.053 Uiso 1 1 calc R . . 
H13B H 0.5631 0.5980 -0.2008 0.053 Uiso 1 1 calc R . . 
H13C H 0.6702 0.5478 -0.1568 0.053 Uiso 1 1 calc R . . 
C14 C 0.39406(15) 0.47333(17) -0.12747(11) 0.0344(5) Uani 1 1 d . . . 
H14A H 0.3758 0.4997 -0.0737 0.041 Uiso 1 1 calc R . . 
H14B H 0.3647 0.5258 -0.1667 0.041 Uiso 1 1 calc R . . 
C15 C 0.34358(15) 0.3572(2) -0.14175(12) 0.0408(5) Uani 1 1 d . . . 
H15A H 0.2941 0.3564 -0.1888 0.049 Uiso 1 1 calc R . . 
H15B H 0.3003 0.3322 -0.0952 0.049 Uiso 1 1 calc R . . 
C16 C 0.45070(15) 0.28508(17) -0.15511(10) 0.0283(4) Uani 1 1 d . . . 
H16 H 0.4355 0.2144 -0.1822 0.034 Uiso 1 1 calc R . . 
C17 C 0.53028(15) 0.36530(15) -0.20332(10) 0.0264(4) Uani 1 1 d . . . 
C18 C 0.65086(17) 0.31992(16) -0.21969(12) 0.0345(4) Uani 1 1 d . . . 
H18A H 0.6455 0.2553 -0.2533 0.052 Uiso 1 1 calc R . . 
H18B H 0.6868 0.3006 -0.1695 0.052 Uiso 1 1 calc R . . 
H18C H 0.6958 0.3755 -0.2466 0.052 Uiso 1 1 calc R . . 
C19 C 0.48003(19) 0.4008(2) -0.28520(12) 0.0421(5) Uani 1 1 d . . . 
H19A H 0.5302 0.4538 -0.3102 0.063 Uiso 1 1 calc R . . 
H19B H 0.4059 0.4337 -0.2771 0.063 Uiso 1 1 calc R . . 
H19C H 0.4726 0.3370 -0.3195 0.063 Uiso 1 1 calc R . . 
C20 C 0.48122(13) 0.07178(12) 0.01399(10) 0.0197(3) Uani 1 1 d . . . 
C21 C 0.59346(14) 0.03293(13) 0.00569(10) 0.0239(3) Uani 1 1 d . . . 
H21 H 0.6537 0.0830 0.0008 0.029 Uiso 1 1 calc R . . 
C22 C 0.61528(16) -0.07984(14) 0.00479(10) 0.0313(4) Uani 1 1 d . . . 
H22 H 0.6902 -0.1051 -0.0012 0.038 Uiso 1 1 calc R . . 
C23 C 0.52664(17) -0.15527(14) 0.01268(12) 0.0352(4) Uani 1 1 d . . . 
H23 H 0.5418 -0.2310 0.0123 0.042 Uiso 1 1 calc R . . 
C24 C 0.41527(17) -0.11742(15) 0.02108(13) 0.0367(4) Uani 1 1 d . . . 
H24 H 0.3555 -0.1680 0.0263 0.044 Uiso 1 1 calc R . . 
C25 C 0.39198(15) -0.00486(14) 0.02173(11) 0.0277(4) Uani 1 1 d . . . 
H25 H 0.3168 0.0198 0.0273 0.033 Uiso 1 1 calc R . . 
C26 C 0.51718(12) 0.27417(14) -0.07467(9) 0.0177(3) Uani 1 1 d . . . 
H26 H 0.5827 0.2255 -0.0855 0.021 Uiso 1 1 calc R . . 

loop_ 
_atom_site_aniso_label 
_atom_site_aniso_U_11 
_atom_site_aniso_U_22 
_atom_site_aniso_U_33 
_atom_site_aniso_U_23 
_atom_site_aniso_U_13 
_atom_site_aniso_U_12 
P1 0.01407(17) 0.01742(18) 0.01639(18) -0.00114(16) 0.00064(14) -0.00176(14) 
O1 0.0139(5) 0.0264(6) 0.0269(6) -0.0024(5) 0.0018(4) -0.0025(4) 
O2 0.0218(5) 0.0192(5) 0.0155(5) -0.0002(5) 0.0005(4) 0.0023(4) 
C1 0.0149(7) 0.0181(7) 0.0178(7) -0.0004(6) 0.0000(5) 0.0003(6) 
C2 0.0185(7) 0.0207(8) 0.0158(7) 0.0003(7) 0.0003(5) -0.0017(6) 
C3 0.0279(8) 0.0237(9) 0.0179(8) 0.0008(7) -0.0040(6) 0.0027(7) 
C4 0.0205(8) 0.0305(9) 0.0199(8) -0.0039(7) -0.0047(6) -0.0011(6) 
C5 0.0207(8) 0.0197(8) 0.0165(7) -0.0010(6) -0.0003(6) -0.0010(6) 
C6 0.0182(7) 0.0228(8) 0.0163(7) -0.0019(6) 0.0020(6) 0.0027(6) 
C7 0.0196(8) 0.0268(9) 0.0258(9) -0.0006(7) 0.0020(6) 0.0054(6) 
C8 0.0306(9) 0.0332(10) 0.0225(9) -0.0048(8) 0.0050(7) 0.0045(7) 
C9 0.0395(11) 0.0217(9) 0.0257(9) -0.0040(7) -0.0013(7) -0.0054(7) 
C10 0.0154(7) 0.0198(8) 0.0161(8) -0.0003(6) -0.0013(5) -0.0015(6) 
C11 0.0164(7) 0.0197(8) 0.0162(7) 0.0002(6) 0.0012(6) -0.0007(6) 
C12 0.0231(8) 0.0264(9) 0.0168(8) 0.0047(7) 0.0011(6) 0.0036(6) 
C13 0.0522(12) 0.0293(10) 0.0246(9) 0.0080(8) 0.0052(8) -0.0014(8) 
C14 0.0241(9) 0.0518(13) 0.0273(10) 0.0095(9) -0.0010(7) 0.0154(8) 
C15 0.0196(9) 0.0690(15) 0.0339(11) 0.0183(11) -0.0099(7) -0.0055(9) 
C16 0.0331(9) 0.0350(10) 0.0167(8) -0.0013(8) -0.0046(7) -0.0109(9) 
C17 0.0308(9) 0.0317(10) 0.0167(8) 0.0012(7) -0.0004(7) -0.0020(7) 
C18 0.0439(11) 0.0356(11) 0.0240(10) 0.0008(8) 0.0128(8) 0.0048(8) 
C19 0.0519(13) 0.0530(13) 0.0212(10) 0.0058(9) -0.0054(8) -0.0060(10) 
C20 0.0250(7) 0.0195(8) 0.0144(7) -0.0024(7) 0.0017(6) -0.0005(6) 
C21 0.0275(8) 0.0234(8) 0.0209(9) -0.0011(7) 0.0025(6) 0.0009(6) 
C22 0.0373(9) 0.0300(9) 0.0264(10) 0.0004(8) 0.0055(8) 0.0103(7) 
C23 0.0575(12) 0.0187(8) 0.0293(10) 0.0011(8) 0.0017(9) 0.0033(8) 
C24 0.0457(11) 0.0233(9) 0.0411(11) 0.0026(9) 0.0039(9) -0.0104(8) 
C25 0.0264(8) 0.0248(8) 0.0319(9) 0.0018(8) 0.0023(8) -0.0046(6) 
C26 0.0158(7) 0.0202(8) 0.0171(8) -0.0010(7) 0.0016(5) -0.0009(6) 

_geom_special_details 
; 
All esds (except the esd in the dihedral angle between two l.s. 
planes) 
are estimated using the full covariance matrix.  The cell esds are 
taken 
into account individually in the estimation of esds in distances, 
angles 
and torsion angles; correlations between esds in cell parameters are 
only 
used when they are defined by crystal symmetry.  An approximate 
(isotropic) 
treatment of cell esds is used for estimating esds involving l.s. 
planes. 
; 

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 
P1 O1 1.4934(11) . ? 
P1 C20 1.8209(16) . ? 
P1 C1 1.8250(15) . ? 
P1 C26 1.8277(16) . ? 
O2 C11 1.4231(18) . ? 
O2 C10 1.4298(19) . ? 
C1 C10 1.560(2) . ? 
C1 C2 1.562(2) . ? 
C2 C3 1.542(2) . ? 
C2 C6 1.550(2) . ? 
C3 C4 1.554(2) . ? 
C4 C5 1.553(2) . ? 
C5 C9 1.517(2) . ? 
C5 C10 1.534(2) . ? 
C5 C6 1.559(2) . ? 
C6 C7 1.532(2) . ? 
C6 C8 1.542(2) . ? 
C11 C12 1.532(2) . ? 
C11 C26 1.562(2) . ? 
C12 C13 1.514(3) . ? 
C12 C14 1.539(2) . ? 
C12 C17 1.559(2) . ? 
C14 C15 1.537(3) . ? 
C15 C16 1.538(3) . ? 
C16 C26 1.548(2) . ? 
C16 C17 1.560(2) . ? 
C17 C18 1.533(3) . ? 
C17 C19 1.539(2) . ? 
C20 C21 1.396(2) . ? 
C20 C25 1.397(2) . ? 
C21 C22 1.384(2) . ? 
C22 C23 1.383(3) . ? 
C23 C24 1.383(3) . ? 
C24 C25 1.384(3) . ? 

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 
O1 P1 C20 110.11(7) . . ? 
O1 P1 C1 116.34(7) . . ? 
C20 P1 C1 104.86(7) . . ? 
O1 P1 C26 118.15(7) . . ? 
C20 P1 C26 104.25(7) . . ? 
C1 P1 C26 101.66(7) . . ? 
C11 O2 C10 110.55(11) . . ? 
C10 C1 C2 102.74(12) . . ? 
C10 C1 P1 114.74(10) . . ? 
C2 C1 P1 118.11(10) . . ? 
C3 C2 C6 101.29(13) . . ? 
C3 C2 C1 104.53(12) . . ? 
C6 C2 C1 104.93(12) . . ? 
C2 C3 C4 102.28(13) . . ? 
C5 C4 C3 104.06(12) . . ? 
C9 C5 C10 113.03(13) . . ? 
C9 C5 C4 114.21(14) . . ? 
C10 C5 C4 104.35(12) . . ? 
C9 C5 C6 118.31(14) . . ? 
C10 C5 C6 103.72(12) . . ? 
C4 C5 C6 101.55(12) . . ? 
C7 C6 C8 105.97(13) . . ? 
C7 C6 C2 116.05(13) . . ? 
C8 C6 C2 112.46(13) . . ? 
C7 C6 C5 115.50(13) . . ? 
C8 C6 C5 113.47(13) . . ? 
C2 C6 C5 93.42(11) . . ? 
O2 C10 C5 111.36(12) . . ? 
O2 C10 C1 112.94(12) . . ? 
C5 C10 C1 103.35(12) . . ? 
O2 C11 C12 111.05(12) . . ? 
O2 C11 C26 114.08(12) . . ? 
C12 C11 C26 104.37(13) . . ? 
C13 C12 C11 113.02(14) . . ? 
C13 C12 C14 114.12(16) . . ? 
C11 C12 C14 107.25(13) . . ? 
C13 C12 C17 118.10(14) . . ? 
C11 C12 C17 100.79(13) . . ? 
C14 C12 C17 102.04(14) . . ? 
C15 C14 C12 104.31(15) . . ? 
C14 C15 C16 103.11(15) . . ? 
C15 C16 C26 109.29(14) . . ? 
C15 C16 C17 101.86(15) . . ? 
C26 C16 C17 101.33(13) . . ? 
C18 C17 C19 106.98(15) . . ? 
C18 C17 C12 114.80(15) . . ? 
C19 C17 C12 113.73(16) . . ? 
C18 C17 C16 114.48(15) . . ? 
C19 C17 C16 113.45(15) . . ? 
C12 C17 C16 93.25(13) . . ? 
C21 C20 C25 118.98(15) . . ? 
C21 C20 P1 122.61(12) . . ? 
C25 C20 P1 118.41(12) . . ? 
C22 C21 C20 120.20(15) . . ? 
C23 C22 C21 120.55(16) . . ? 
C24 C23 C22 119.58(16) . . ? 
C23 C24 C25 120.56(16) . . ? 
C24 C25 C20 120.12(16) . . ? 
C16 C26 C11 102.13(13) . . ? 
C16 C26 P1 120.27(11) . . ? 
C11 C26 P1 114.09(11) . . ? 

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 
O1 P1 C1 C10 -96.68(11) . . . . ? 
C20 P1 C1 C10 141.43(11) . . . . ? 
C26 P1 C1 C10 33.09(12) . . . . ? 
O1 P1 C1 C2 24.76(15) . . . . ? 
C20 P1 C1 C2 -97.13(13) . . . . ? 
C26 P1 C1 C2 154.52(13) . . . . ? 
C10 C1 C2 C3 -76.38(14) . . . . ? 
P1 C1 C2 C3 156.22(12) . . . . ? 
C10 C1 C2 C6 29.78(14) . . . . ? 
P1 C1 C2 C6 -97.62(13) . . . . ? 
C6 C2 C3 C4 -39.94(15) . . . . ? 
C1 C2 C3 C4 68.91(15) . . . . ? 
C2 C3 C4 C5 4.77(16) . . . . ? 
C3 C4 C5 C9 160.18(14) . . . . ? 
C3 C4 C5 C10 -75.92(15) . . . . ? 
C3 C4 C5 C6 31.67(15) . . . . ? 
C3 C2 C6 C7 178.67(13) . . . . ? 
C1 C2 C6 C7 70.14(16) . . . . ? 
C3 C2 C6 C8 -59.09(16) . . . . ? 
C1 C2 C6 C8 -167.63(13) . . . . ? 
C3 C2 C6 C5 58.06(13) . . . . ? 
C1 C2 C6 C5 -50.47(13) . . . . ? 
C9 C5 C6 C7 58.8(2) . . . . ? 
C10 C5 C6 C7 -67.29(16) . . . . ? 
C4 C5 C6 C7 -175.37(13) . . . . ? 
C9 C5 C6 C8 -63.86(19) . . . . ? 
C10 C5 C6 C8 170.07(13) . . . . ? 
C4 C5 C6 C8 61.99(16) . . . . ? 
C9 C5 C6 C2 179.84(14) . . . . ? 
C10 C5 C6 C2 53.76(13) . . . . ? 
C4 C5 C6 C2 -54.31(13) . . . . ? 
C11 O2 C10 C5 172.45(12) . . . . ? 
C11 O2 C10 C1 -71.78(15) . . . . ? 
C9 C5 C10 O2 -45.62(18) . . . . ? 
C4 C5 C10 O2 -170.28(12) . . . . ? 
C6 C5 C10 O2 83.75(14) . . . . ? 
C9 C5 C10 C1 -167.14(13) . . . . ? 
C4 C5 C10 C1 68.19(14) . . . . ? 
C6 C5 C10 C1 -37.78(14) . . . . ? 
C2 C1 C10 O2 -115.59(13) . . . . ? 
P1 C1 C10 O2 13.91(16) . . . . ? 
C2 C1 C10 C5 4.87(14) . . . . ? 
P1 C1 C10 C5 134.37(11) . . . . ? 
C10 O2 C11 C12 -172.65(12) . . . . ? 
C10 O2 C11 C26 69.76(15) . . . . ? 
O2 C11 C12 C13 73.55(17) . . . . ? 
C26 C11 C12 C13 -163.09(13) . . . . ? 
O2 C11 C12 C14 -53.09(18) . . . . ? 
C26 C11 C12 C14 70.27(16) . . . . ? 
O2 C11 C12 C17 -159.43(12) . . . . ? 
C26 C11 C12 C17 -36.08(15) . . . . ? 
C13 C12 C14 C15 161.92(15) . . . . ? 
C11 C12 C14 C15 -72.09(17) . . . . ? 
C17 C12 C14 C15 33.37(17) . . . . ? 
C12 C14 C15 C16 2.26(18) . . . . ? 
C14 C15 C16 C26 69.50(18) . . . . ? 
C14 C15 C16 C17 -37.12(17) . . . . ? 
C13 C12 C17 C18 61.2(2) . . . . ? 
C11 C12 C17 C18 -62.33(17) . . . . ? 
C14 C12 C17 C18 -172.77(15) . . . . ? 
C13 C12 C17 C19 -62.4(2) . . . . ? 
C11 C12 C17 C19 173.99(14) . . . . ? 
C14 C12 C17 C19 63.55(18) . . . . ? 
C13 C12 C17 C16 -179.84(15) . . . . ? 
C11 C12 C17 C16 56.59(14) . . . . ? 
C14 C12 C17 C16 -53.85(15) . . . . ? 
C15 C16 C17 C18 174.78(15) . . . . ? 
C26 C16 C17 C18 62.05(18) . . . . ? 
C15 C16 C17 C19 -62.04(19) . . . . ? 
C26 C16 C17 C19 -174.77(16) . . . . ? 
C15 C16 C17 C12 55.61(15) . . . . ? 
C26 C16 C17 C12 -57.12(15) . . . . ? 
O1 P1 C20 C21 178.52(13) . . . . ? 
C1 P1 C20 C21 -55.61(16) . . . . ? 
C26 P1 C20 C21 50.84(16) . . . . ? 
O1 P1 C20 C25 -1.34(16) . . . . ? 
C1 P1 C20 C25 124.54(14) . . . . ? 
C26 P1 C20 C25 -129.02(14) . . . . ? 
C25 C20 C21 C22 0.3(3) . . . . ? 
P1 C20 C21 C22 -179.54(13) . . . . ? 
C20 C21 C22 C23 -0.5(3) . . . . ? 
C21 C22 C23 C24 0.4(3) . . . . ? 
C22 C23 C24 C25 -0.1(3) . . . . ? 
C23 C24 C25 C20 -0.1(3) . . . . ? 
C21 C20 C25 C24 0.0(3) . . . . ? 
P1 C20 C25 C24 179.84(15) . . . . ? 
C15 C16 C26 C11 -70.64(16) . . . . ? 
C17 C16 C26 C11 36.34(16) . . . . ? 
C15 C16 C26 P1 56.86(19) . . . . ? 
C17 C16 C26 P1 163.84(12) . . . . ? 
O2 C11 C26 C16 121.24(14) . . . . ? 
C12 C11 C26 C16 -0.14(15) . . . . ? 
O2 C11 C26 P1 -10.13(16) . . . . ? 
C12 C11 C26 P1 -131.50(11) . . . . ? 
O1 P1 C26 C16 -28.16(17) . . . . ? 
C20 P1 C26 C16 94.39(14) . . . . ? 
C1 P1 C26 C16 -156.79(14) . . . . ? 
O1 P1 C26 C11 93.66(11) . . . . ? 
C20 P1 C26 C11 -143.78(11) . . . . ? 
C1 P1 C26 C11 -34.96(12) . . . . ? 

_diffrn_measured_fraction_theta_max    0.992 
_diffrn_reflns_theta_full              27.48 
_diffrn_measured_fraction_theta_full   0.992 
_refine_diff_density_max    0.235 
_refine_diff_density_min   -0.296 
_refine_diff_density_rms    0.040 


data_compound_6 

_database_code_CSD	191756


_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          'C56 H78 O6 P2 Pd2, 0.25(C7 H8)'
_chemical_formula_sum 
'C57.75 H80 O6 P2 Pd2' 
_chemical_formula_weight          1144.96 

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' 
'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' 

_symmetry_cell_setting            Orthorhombic
_symmetry_space_group_name_H-M    P2(1)2(1)2(1)

loop_ 
_symmetry_equiv_pos_as_xyz 
'x, y, z' 
'-x+1/2, -y, z+1/2' 
'x+1/2, -y+1/2, -z' 
'-x, y+1/2, -z+1/2' 

_cell_length_a                    12.7814(2) 
_cell_length_b                    18.9991(3) 
_cell_length_c                    23.0978(5) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  90.00 
_cell_angle_gamma                 90.00 
_cell_volume                      5608.96(17) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     150(2) 
_cell_measurement_reflns_used     
'All observed reflections in the data set'
_cell_measurement_theta_min       3.09
_cell_measurement_theta_max       25.34

_exptl_crystal_description        prism
_exptl_crystal_colour             colorless
_exptl_crystal_size_max           0.15 
_exptl_crystal_size_mid           0.12 
_exptl_crystal_size_min           0.10 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.356 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              2386 
_exptl_absorpt_coefficient_mu     0.745 
_exptl_absorpt_correction_type    
'comparison of the multiple measurements and symmetry related intensities'
_exptl_absorpt_correction_T_min   0.8964 
_exptl_absorpt_correction_T_max   0.9292 
_exptl_absorpt_process_details    'SORTAV (Blessing, 1995)'

_exptl_special_details 
; 
? 
; 

_diffrn_ambient_temperature       150(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   'Bruker Nonius kappa CCD area detector'
_diffrn_measurement_method        'phi & omega scan to fill Ewald sphere'
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             36501 
_diffrn_reflns_av_R_equivalents   0.0758 
_diffrn_reflns_av_sigmaI/netI     0.0692 
_diffrn_reflns_limit_h_min        -14 
_diffrn_reflns_limit_h_max        15 
_diffrn_reflns_limit_k_min        -22 
_diffrn_reflns_limit_k_max        22 
_diffrn_reflns_limit_l_min        -27 
_diffrn_reflns_limit_l_max        27 
_diffrn_reflns_theta_min          3.09 
_diffrn_reflns_theta_max          25.34 
_reflns_number_total              10215 
_reflns_number_gt                 8843 
_reflns_threshold_expression      >2sigma(I) 

_computing_data_collection        'COLLECT (Hooft, 1998)'
_computing_cell_refinement        'HKL SCALEPACK (Otwinowski & Minor, 1997)'
_computing_data_reduction         'DENZO (Otwinoski & Minor, 1997'
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material   'SHELXL-97 (Sheldrick, 1997)'

_refine_special_details 
; 
Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and 
goodness of fit S are based on F^2^, conventional R-factors R are based 
on F, with F set to zero for negative F^2^. The threshold expression of 
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is 
not relevant to the choice of reflections for refinement.  R-factors based 
on F^2^ are statistically about twice as large as those based on F, and R- 
factors based on ALL data will be even larger.

The  complex contained a quarter toluene molecule as solvent per complex
dimer. The ring was idealised and refined isotropically.

; 

_refine_ls_structure_factor_coef  Fsqd  
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc  
_refine_ls_weighting_details 
'calc w=1/[\s^2^(Fo^2^)+(0.0220P)^2^+12.0557P] where P=(Fo^2^+2Fc^2^)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     'calculated positions, riding model'
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_abs_structure_details 
'Flack H D (1983), Acta Cryst. A39, 876-881' 
_refine_ls_abs_structure_Flack    0.01(3) 
_refine_ls_number_reflns          10215 
_refine_ls_number_parameters      621 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0602 
_refine_ls_R_factor_gt            0.0456 
_refine_ls_wR_factor_ref          0.1012 
_refine_ls_wR_factor_gt           0.0944 
_refine_ls_goodness_of_fit_ref    1.089 
_refine_ls_restrained_S_all       1.089 
_refine_ls_shift/su_max           0.010 
_refine_ls_shift/su_mean          0.000 

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 
Pd1 Pd 0.21743(3) 0.27416(2) 0.340992(18) 0.02217(10) Uani 1 1 d . . . 
Pd2 Pd 0.15007(3) 0.11936(2) 0.294565(19) 0.02403(11) Uani 1 1 d . . . 
P1 P 0.36121(11) 0.32732(8) 0.36905(6) 0.0223(3) Uani 1 1 d . . . 
P2 P 0.20707(12) 0.01400(8) 0.27067(6) 0.0244(3) Uani 1 1 d . . . 
O1 O 0.2781(3) 0.39985(18) 0.46867(16) 0.0256(9) Uani 1 1 d . . . 
O2 O 0.2315(4) -0.0455(2) 0.38330(18) 0.0353(11) Uani 1 1 d . . . 
O3 O 0.2405(3) 0.2871(2) 0.24868(17) 0.0318(10) Uani 1 1 d . . . 
O4 O 0.2215(4) 0.1738(2) 0.22241(18) 0.0405(11) Uani 1 1 d . . . 
O5 O 0.0798(3) 0.2169(2) 0.31910(17) 0.0283(9) Uani 1 1 d . . . 
O6 O -0.0268(3) 0.3085(2) 0.3062(2) 0.0398(11) Uani 1 1 d . . . 
C1 C 0.3650(5) 0.4238(3) 0.3741(2) 0.0253(13) Uani 1 1 d . . . 
H1 H 0.4395 0.4384 0.3683 0.030 Uiso 1 1 calc R . . 
C2 C 0.2971(5) 0.4701(3) 0.3334(3) 0.0376(15) Uani 1 1 d . . . 
H2 H 0.3213 0.4711 0.2922 0.045 Uiso 1 1 calc R . . 
C3 C 0.1802(4) 0.4514(4) 0.3411(3) 0.0408(17) Uani 1 1 d . . . 
H3A H 0.1693 0.3998 0.3399 0.049 Uiso 1 1 calc R . . 
H3B H 0.1369 0.4737 0.3107 0.049 Uiso 1 1 calc R . . 
C4 C 0.1531(5) 0.4815(3) 0.4017(3) 0.0433(17) Uani 1 1 d . . . 
H4A H 0.0983 0.5182 0.3989 0.052 Uiso 1 1 calc R . . 
H4B H 0.1290 0.4439 0.4281 0.052 Uiso 1 1 calc R . . 
C5 C 0.2561(5) 0.5126(3) 0.4221(3) 0.0313(15) Uani 1 1 d . . . 
C6 C 0.3305(4) 0.4512(3) 0.4352(2) 0.0241(13) Uani 1 1 d . . . 
H6 H 0.3930 0.4689 0.4569 0.029 Uiso 1 1 calc R . . 
C7 C 0.3029(5) 0.5430(3) 0.3651(3) 0.0340(15) Uani 1 1 d . . . 
C8 C 0.4146(6) 0.5716(4) 0.3710(3) 0.0486(19) Uani 1 1 d . . . 
H8A H 0.4454 0.5775 0.3324 0.073 Uiso 1 1 calc R . . 
H8B H 0.4570 0.5383 0.3934 0.073 Uiso 1 1 calc R . . 
H8C H 0.4129 0.6171 0.3909 0.073 Uiso 1 1 calc R . . 
C9 C 0.2387(6) 0.6000(3) 0.3355(3) 0.0455(18) Uani 1 1 d . . . 
H9A H 0.2457 0.6442 0.3570 0.068 Uiso 1 1 calc R . . 
H9B H 0.1650 0.5859 0.3346 0.068 Uiso 1 1 calc R . . 
H9C H 0.2640 0.6066 0.2958 0.068 Uiso 1 1 calc R . . 
C10 C 0.2455(6) 0.5636(4) 0.4738(3) 0.0466(19) Uani 1 1 d . . . 
H10A H 0.2265 0.5370 0.5086 0.070 Uiso 1 1 calc R . . 
H10B H 0.1911 0.5984 0.4654 0.070 Uiso 1 1 calc R . . 
H10C H 0.3123 0.5877 0.4802 0.070 Uiso 1 1 calc R . . 
C11 C 0.3461(5) 0.3459(3) 0.4903(2) 0.0244(12) Uani 1 1 d . . . 
H11 H 0.3996 0.3675 0.5165 0.029 Uiso 1 1 calc R . . 
C12 C 0.4023(4) 0.3028(3) 0.4420(2) 0.0240(13) Uani 1 1 d . . . 
H12 H 0.4800 0.3074 0.4460 0.029 Uiso 1 1 calc R . . 
C13 C 0.3678(4) 0.2265(3) 0.4549(2) 0.0242(12) Uani 1 1 d . . . 
H13 H 0.3773 0.1934 0.4217 0.029 Uiso 1 1 calc R . . 
C14 C 0.4237(4) 0.2034(3) 0.5107(3) 0.0295(14) Uani 1 1 d . . . 
H14A H 0.4993 0.2145 0.5091 0.035 Uiso 1 1 calc R . . 
H14B H 0.4146 0.1524 0.5177 0.035 Uiso 1 1 calc R . . 
C15 C 0.3671(5) 0.2480(3) 0.5576(2) 0.0295(14) Uani 1 1 d . . . 
H15A H 0.3345 0.2172 0.5871 0.035 Uiso 1 1 calc R . . 
H15B H 0.4167 0.2803 0.5770 0.035 Uiso 1 1 calc R . . 
C16 C 0.2834(5) 0.2894(3) 0.5242(2) 0.0249(12) Uani 1 1 d . . . 
C17 C 0.2522(4) 0.2365(3) 0.4737(2) 0.0232(13) Uani 1 1 d . . . 
C18 C 0.2038(5) 0.1682(3) 0.4967(3) 0.0277(13) Uani 1 1 d . . . 
H18A H 0.1322 0.1774 0.5098 0.042 Uiso 1 1 calc R . . 
H18B H 0.2457 0.1507 0.5292 0.042 Uiso 1 1 calc R . . 
H18C H 0.2027 0.1329 0.4658 0.042 Uiso 1 1 calc R . . 
C19 C 0.1797(4) 0.2664(3) 0.4264(2) 0.0246(13) Uani 1 1 d . . . 
H19A H 0.1607 0.3145 0.4391 0.029 Uiso 1 1 calc R . . 
H19B H 0.1146 0.2382 0.4281 0.029 Uiso 1 1 calc R . . 
C20 C 0.1957(4) 0.3195(3) 0.5610(3) 0.0282(14) Uani 1 1 d . . . 
H20A H 0.1565 0.2809 0.5789 0.042 Uiso 1 1 calc R . . 
H20B H 0.1487 0.3474 0.5366 0.042 Uiso 1 1 calc R . . 
H20C H 0.2255 0.3495 0.5913 0.042 Uiso 1 1 calc R . . 
C21 C 0.4768(4) 0.3039(3) 0.3272(3) 0.0269(14) Uani 1 1 d . . . 
C22 C 0.5751(4) 0.3366(3) 0.3367(3) 0.0286(13) Uani 1 1 d . . . 
H22 H 0.5803 0.3735 0.3643 0.034 Uiso 1 1 calc R . . 
C23 C 0.6635(5) 0.3161(4) 0.3067(3) 0.0395(17) Uani 1 1 d . . . 
H23 H 0.7289 0.3378 0.3145 0.047 Uiso 1 1 calc R . . 
C24 C 0.6568(6) 0.2642(4) 0.2655(3) 0.055(2) Uani 1 1 d . . . 
H24 H 0.7171 0.2507 0.2442 0.067 Uiso 1 1 calc R . . 
C25 C 0.5593(6) 0.2310(4) 0.2550(3) 0.053(2) Uani 1 1 d . . . 
H25 H 0.5543 0.1950 0.2266 0.063 Uiso 1 1 calc R . . 
C26 C 0.4719(5) 0.2508(3) 0.2859(3) 0.0393(17) Uani 1 1 d . . . 
H26 H 0.4072 0.2277 0.2789 0.047 Uiso 1 1 calc R . . 
C27 C 0.3339(4) -0.0240(3) 0.2920(3) 0.0274(13) Uani 1 1 d . . . 
H27 H 0.3516 -0.0611 0.2628 0.033 Uiso 1 1 calc R . . 
C28 C 0.4338(5) 0.0230(3) 0.3000(3) 0.0337(14) Uani 1 1 d . . . 
H28 H 0.4664 0.0395 0.2631 0.040 Uiso 1 1 calc R . . 
C29 C 0.4079(5) 0.0822(3) 0.3435(3) 0.0422(17) Uani 1 1 d . . . 
H29A H 0.4642 0.1180 0.3445 0.051 Uiso 1 1 calc R . . 
H29B H 0.3410 0.1055 0.3335 0.051 Uiso 1 1 calc R . . 
C30 C 0.3997(6) 0.0434(4) 0.4019(3) 0.0463(19) Uani 1 1 d . . . 
H30A H 0.4518 0.0618 0.4298 0.056 Uiso 1 1 calc R . . 
H30B H 0.3288 0.0488 0.4187 0.056 Uiso 1 1 calc R . . 
C31 C 0.4221(5) -0.0340(4) 0.3871(3) 0.0420(18) Uani 1 1 d . . . 
C32 C 0.3264(5) -0.0614(3) 0.3526(3) 0.0339(15) Uani 1 1 d . . . 
H32 H 0.3324 -0.1135 0.3474 0.041 Uiso 1 1 calc R . . 
C33 C 0.5028(5) -0.0273(4) 0.3362(3) 0.0370(15) Uani 1 1 d . . . 
C34 C 0.6075(5) 0.0064(5) 0.3556(3) 0.055(2) Uani 1 1 d . . . 
H34A H 0.6485 0.0194 0.3214 0.082 Uiso 1 1 calc R . . 
H34B H 0.6470 -0.0274 0.3790 0.082 Uiso 1 1 calc R . . 
H34C H 0.5931 0.0486 0.3786 0.082 Uiso 1 1 calc R . . 
C35 C 0.5320(6) -0.0972(4) 0.3071(3) 0.053(2) Uani 1 1 d . . . 
H35A H 0.4683 -0.1239 0.2986 0.079 Uiso 1 1 calc R . . 
H35B H 0.5768 -0.1246 0.3331 0.079 Uiso 1 1 calc R . . 
H35C H 0.5697 -0.0877 0.2710 0.079 Uiso 1 1 calc R . . 
C36 C 0.4519(7) -0.0782(5) 0.4377(4) 0.076(3) Uani 1 1 d . . . 
H36A H 0.3920 -0.0825 0.4639 0.114 Uiso 1 1 calc R . . 
H36B H 0.5104 -0.0560 0.4582 0.114 Uiso 1 1 calc R . . 
H36C H 0.4729 -0.1250 0.4243 0.114 Uiso 1 1 calc R . . 
C37 C 0.1430(6) -0.0796(3) 0.3586(3) 0.0363(15) Uani 1 1 d . . . 
H37 H 0.1525 -0.1319 0.3603 0.044 Uiso 1 1 calc R . . 
C38 C 0.1193(5) -0.0559(3) 0.2941(3) 0.0306(14) Uani 1 1 d . . . 
H38 H 0.1238 -0.0971 0.2672 0.037 Uiso 1 1 calc R . . 
C39 C 0.0045(4) -0.0291(3) 0.2985(3) 0.0319(14) Uani 1 1 d . . . 
H39 H -0.0175 0.0016 0.2654 0.038 Uiso 1 1 calc R . . 
C40 C -0.0655(6) -0.0932(4) 0.3077(3) 0.048(2) Uani 1 1 d . . . 
H40A H -0.0474 -0.1317 0.2805 0.057 Uiso 1 1 calc R . . 
H40B H -0.1403 -0.0810 0.3030 0.057 Uiso 1 1 calc R . . 
C41 C -0.0397(6) -0.1140(4) 0.3719(3) 0.054(2) Uani 1 1 d . . . 
H41A H -0.1030 -0.1114 0.3965 0.065 Uiso 1 1 calc R . . 
H41B H -0.0105 -0.1622 0.3740 0.065 Uiso 1 1 calc R . . 
C42 C 0.0429(6) -0.0585(4) 0.3911(3) 0.0419(18) Uani 1 1 d . . . 
C43 C 0.0046(5) 0.0086(3) 0.3574(3) 0.0322(15) Uani 1 1 d . . . 
C44 C -0.1061(5) 0.0337(4) 0.3746(3) 0.051(2) Uani 1 1 d . . . 
H44A H -0.1267 0.0733 0.3499 0.077 Uiso 1 1 calc R . . 
H44B H -0.1060 0.0486 0.4152 0.077 Uiso 1 1 calc R . . 
H44C H -0.1559 -0.0051 0.3695 0.077 Uiso 1 1 calc R . . 
C45 C 0.0817(5) 0.0724(3) 0.3638(3) 0.0291(14) Uani 1 1 d . . . 
H45A H 0.1390 0.0567 0.3896 0.035 Uiso 1 1 calc R . . 
H45B H 0.0433 0.1097 0.3849 0.035 Uiso 1 1 calc R . . 
C46 C 0.0540(6) -0.0533(4) 0.4560(3) 0.052(2) Uani 1 1 d . . . 
H46A H 0.0730 -0.0994 0.4717 0.078 Uiso 1 1 calc R . . 
H46B H -0.0126 -0.0380 0.4729 0.078 Uiso 1 1 calc R . . 
H46C H 0.1087 -0.0190 0.4655 0.078 Uiso 1 1 calc R . . 
C47 C 0.2121(5) 0.0058(3) 0.1922(2) 0.0254(12) Uani 1 1 d . . . 
C48 C 0.1339(5) -0.0312(3) 0.1607(3) 0.0345(14) Uani 1 1 d . . . 
H48 H 0.0788 -0.0543 0.1808 0.041 Uiso 1 1 calc R . . 
C49 C 0.1383(6) -0.0337(4) 0.1009(3) 0.0417(17) Uani 1 1 d . . . 
H49 H 0.0867 -0.0592 0.0800 0.050 Uiso 1 1 calc R . . 
C50 C 0.2184(6) 0.0011(4) 0.0712(3) 0.0434(17) Uani 1 1 d . . . 
H50 H 0.2208 -0.0005 0.0301 0.052 Uiso 1 1 calc R . . 
C51 C 0.2943(5) 0.0380(4) 0.1015(3) 0.0394(16) Uani 1 1 d . . . 
H51 H 0.3489 0.0614 0.0813 0.047 Uiso 1 1 calc R . . 
C52 C 0.2904(5) 0.0405(3) 0.1615(3) 0.0349(14) Uani 1 1 d . . . 
H52 H 0.3420 0.0664 0.1821 0.042 Uiso 1 1 calc R . . 
C53 C 0.2394(5) 0.2374(3) 0.2125(3) 0.0336(15) Uani 1 1 d . . . 
C54 C 0.2611(7) 0.2576(4) 0.1505(3) 0.063(2) Uani 1 1 d . . . 
H54A H 0.3304 0.2403 0.1392 0.095 Uiso 1 1 calc R . . 
H54B H 0.2592 0.3090 0.1468 0.095 Uiso 1 1 calc R . . 
H54C H 0.2078 0.2367 0.1253 0.095 Uiso 1 1 calc R . . 
C55 C -0.0008(5) 0.2475(3) 0.2956(3) 0.0352(15) Uani 1 1 d . . . 
C56 C -0.0603(7) 0.2037(5) 0.2527(5) 0.094(4) Uani 1 1 d . . . 
H56A H -0.1114 0.1744 0.2732 0.140 Uiso 1 1 calc R . . 
H56B H -0.0115 0.1735 0.2315 0.140 Uiso 1 1 calc R . . 
H56C H -0.0968 0.2346 0.2255 0.140 Uiso 1 1 calc R . . 
C01 C 0.450(2) -0.1980(12) 0.5596(9) 0.068(10) Uiso 0.25 1 d PG . . 
C02 C 0.5367(15) -0.2296(14) 0.5342(10) 0.131(19) Uiso 0.25 1 d PG . . 
H02 H 0.6028 -0.2278 0.5529 0.157 Uiso 0.25 1 calc PR . . 
C03 C 0.5265(17) -0.2640(12) 0.4813(10) 0.037(6) Uiso 0.25 1 d PG . . 
H03 H 0.5857 -0.2856 0.4640 0.045 Uiso 0.25 1 calc PR . . 
C04 C 0.430(2) -0.2666(14) 0.4540(10) 0.122(18) Uiso 0.25 1 d PG . . 
H04 H 0.4228 -0.2901 0.4178 0.146 Uiso 0.25 1 calc PR . . 
C05 C 0.3432(16) -0.2349(18) 0.4794(13) 0.18(3) Uiso 0.25 1 d PG . . 
H05 H 0.2771 -0.2368 0.4607 0.210 Uiso 0.25 1 calc PR . . 
C06 C 0.3534(17) -0.2006(15) 0.5323(13) 0.098(13) Uiso 0.25 1 d PG . . 
H06 H 0.2942 -0.1790 0.5496 0.117 Uiso 0.25 1 calc PR . . 
C07 C 0.465(3) -0.165(2) 0.6120(12) 0.22(4) Uiso 0.25 1 d PG . . 
H07A H 0.4862 -0.1164 0.6055 0.335 Uiso 0.25 1 calc PR . . 
H07B H 0.5199 -0.1899 0.6336 0.335 Uiso 0.25 1 calc PR . . 
H07C H 0.3997 -0.1663 0.6342 0.335 Uiso 0.25 1 calc PR . . 

loop_ 
_atom_site_aniso_label 
_atom_site_aniso_U_11 
_atom_site_aniso_U_22 
_atom_site_aniso_U_33 
_atom_site_aniso_U_23 
_atom_site_aniso_U_13 
_atom_site_aniso_U_12 
Pd1 0.0221(2) 0.0252(2) 0.0192(2) -0.00306(19) -0.00216(18) 0.00033(18) 
Pd2 0.0219(2) 0.0249(2) 0.0253(2) -0.0062(2) 0.00035(19) -0.00085(19) 
P1 0.0203(7) 0.0269(8) 0.0198(8) -0.0016(6) -0.0003(6) -0.0006(6) 
P2 0.0272(8) 0.0250(8) 0.0209(8) -0.0045(6) 0.0024(6) -0.0011(6) 
O1 0.034(2) 0.020(2) 0.023(2) 0.0016(16) 0.0032(19) 0.0033(17) 
O2 0.046(3) 0.038(3) 0.022(2) -0.0041(19) 0.002(2) 0.000(2) 
O3 0.039(3) 0.032(3) 0.024(2) -0.0032(19) 0.0004(18) -0.0025(18) 
O4 0.059(3) 0.030(2) 0.033(3) -0.0036(19) 0.010(2) 0.000(2) 
O5 0.026(2) 0.028(2) 0.031(2) -0.0079(18) -0.0089(17) 0.0026(17) 
O6 0.039(3) 0.034(3) 0.046(3) 0.004(2) 0.001(2) 0.010(2) 
C1 0.026(3) 0.027(3) 0.022(3) -0.004(3) 0.002(2) -0.002(3) 
C2 0.054(4) 0.034(3) 0.025(4) 0.000(3) -0.007(3) 0.003(3) 
C3 0.029(3) 0.040(4) 0.053(4) -0.001(4) -0.019(3) 0.003(3) 
C4 0.032(3) 0.032(4) 0.066(5) 0.003(3) -0.016(4) 0.005(3) 
C5 0.039(4) 0.022(3) 0.033(4) 0.002(3) 0.001(3) 0.006(2) 
C6 0.024(3) 0.024(3) 0.025(3) -0.002(2) -0.002(2) -0.002(2) 
C7 0.033(4) 0.031(3) 0.038(4) 0.005(3) 0.004(3) 0.005(3) 
C8 0.063(5) 0.035(4) 0.049(5) 0.005(4) 0.009(4) -0.008(3) 
C9 0.062(5) 0.026(4) 0.048(5) 0.010(3) -0.003(4) 0.007(3) 
C10 0.062(5) 0.032(4) 0.046(4) -0.007(3) 0.010(3) 0.014(3) 
C11 0.023(3) 0.028(3) 0.022(3) 0.001(2) -0.003(3) 0.001(3) 
C12 0.018(3) 0.030(3) 0.023(3) -0.004(3) -0.001(2) -0.001(2) 
C13 0.025(3) 0.029(3) 0.019(3) -0.006(3) 0.002(2) 0.003(3) 
C14 0.020(3) 0.034(4) 0.035(4) -0.002(3) -0.002(3) 0.002(2) 
C15 0.036(4) 0.033(3) 0.019(3) 0.003(2) 0.002(3) 0.001(3) 
C16 0.027(3) 0.030(3) 0.017(3) -0.006(2) 0.001(3) -0.001(3) 
C17 0.029(3) 0.022(3) 0.019(3) -0.002(2) -0.001(2) -0.002(2) 
C18 0.026(3) 0.031(3) 0.026(3) -0.002(3) 0.011(3) -0.005(3) 
C19 0.018(3) 0.030(3) 0.025(3) -0.004(3) 0.000(2) -0.002(2) 
C20 0.030(3) 0.033(3) 0.022(3) -0.004(3) 0.003(2) 0.001(3) 
C21 0.022(3) 0.032(3) 0.026(4) 0.007(3) 0.002(2) 0.005(2) 
C22 0.024(3) 0.033(3) 0.028(3) 0.002(3) 0.000(3) 0.000(2) 
C23 0.018(3) 0.050(4) 0.051(4) 0.016(3) 0.010(3) 0.003(3) 
C24 0.043(4) 0.062(5) 0.061(5) 0.003(4) 0.028(4) 0.012(4) 
C25 0.052(5) 0.050(5) 0.056(5) -0.012(4) 0.024(4) 0.006(4) 
C26 0.034(4) 0.038(4) 0.046(5) -0.003(3) 0.008(3) 0.000(3) 
C27 0.036(3) 0.028(3) 0.019(3) -0.009(3) 0.002(3) -0.001(2) 
C28 0.033(3) 0.043(4) 0.025(3) 0.001(3) -0.005(3) -0.002(3) 
C29 0.042(4) 0.034(4) 0.051(5) -0.018(4) -0.017(4) 0.002(3) 
C30 0.039(4) 0.066(5) 0.034(4) -0.030(4) -0.006(3) 0.014(3) 
C31 0.035(4) 0.058(5) 0.033(4) -0.003(4) -0.004(3) 0.021(3) 
C32 0.041(4) 0.031(3) 0.029(4) -0.001(3) 0.004(3) 0.011(3) 
C33 0.031(3) 0.048(4) 0.032(4) -0.007(3) -0.002(3) 0.011(3) 
C34 0.039(4) 0.086(6) 0.040(5) -0.016(4) -0.011(3) 0.019(4) 
C35 0.046(4) 0.061(5) 0.052(5) -0.013(4) 0.001(4) 0.025(4) 
C36 0.080(7) 0.106(8) 0.043(5) 0.022(5) -0.004(5) 0.042(6) 
C37 0.054(4) 0.025(3) 0.030(4) -0.002(3) 0.007(3) -0.003(3) 
C38 0.041(4) 0.024(3) 0.027(3) -0.007(3) 0.003(3) -0.006(2) 
C39 0.028(3) 0.037(4) 0.031(3) -0.013(3) -0.003(3) -0.008(3) 
C40 0.060(5) 0.043(4) 0.041(5) -0.015(3) 0.016(4) -0.021(3) 
C41 0.060(5) 0.055(5) 0.048(5) -0.010(4) 0.018(4) -0.034(4) 
C42 0.058(5) 0.039(4) 0.028(4) -0.013(3) 0.016(3) -0.024(3) 
C43 0.034(3) 0.036(4) 0.027(4) -0.008(3) 0.011(3) -0.011(3) 
C44 0.034(4) 0.072(5) 0.047(5) -0.030(4) 0.016(3) -0.015(3) 
C45 0.023(3) 0.033(4) 0.032(4) -0.009(3) -0.001(3) -0.002(3) 
C46 0.074(5) 0.058(5) 0.023(4) -0.001(3) 0.011(4) -0.020(4) 
C47 0.026(3) 0.024(3) 0.026(3) -0.005(2) -0.001(3) 0.001(2) 
C48 0.029(3) 0.042(4) 0.033(4) -0.007(3) 0.000(3) 0.003(3) 
C49 0.043(4) 0.053(4) 0.029(4) -0.017(3) 0.000(3) 0.001(3) 
C50 0.053(4) 0.060(5) 0.017(3) -0.006(3) 0.004(3) 0.010(4) 
C51 0.037(4) 0.056(4) 0.025(4) 0.001(3) 0.010(3) 0.005(3) 
C52 0.034(3) 0.036(3) 0.034(4) -0.002(3) 0.001(3) 0.001(3) 
C53 0.034(3) 0.040(4) 0.027(3) 0.005(3) 0.001(3) 0.002(3) 
C54 0.107(7) 0.054(5) 0.029(4) 0.000(4) 0.012(4) -0.013(4) 
C55 0.034(3) 0.039(4) 0.032(4) -0.005(3) 0.000(3) -0.004(3) 
C56 0.070(6) 0.056(6) 0.155(10) -0.045(6) -0.077(7) 0.019(4) 

_geom_special_details 
; 
All esds (except the esd in the dihedral angle between two l.s. planes) 
are estimated using the full covariance matrix.  The cell esds are taken 
into account individually in the estimation of esds in distances, angles 
and torsion angles; correlations between esds in cell parameters are only 
used when they are defined by crystal symmetry.  An approximate (isotropic) 
treatment of cell esds is used for estimating esds involving l.s. planes. 
; 

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 
Pd1 C19 2.036(5) . ? 
Pd1 O5 2.130(4) . ? 
Pd1 O3 2.166(4) . ? 
Pd1 P1 2.1948(15) . ? 
Pd1 Pd2 3.2467(6) . ? 
Pd2 C45 2.029(6) . ? 
Pd2 O5 2.136(4) . ? 
Pd2 O4 2.163(4) . ? 
Pd2 P2 2.2005(15) . ? 
P1 C21 1.821(6) . ? 
P1 C12 1.826(6) . ? 
P1 C1 1.837(6) . ? 
P2 C47 1.820(6) . ? 
P2 C38 1.821(6) . ? 
P2 C27 1.841(6) . ? 
O1 C6 1.413(7) . ? 
O1 C11 1.434(7) . ? 
O2 C37 1.423(8) . ? 
O2 C32 1.436(7) . ? 
O3 C53 1.261(7) . ? 
O4 C53 1.252(7) . ? 
O5 C55 1.302(7) . ? 
O6 C55 1.231(7) . ? 
C1 C2 1.552(8) . ? 
C1 C6 1.569(8) . ? 
C2 C3 1.547(9) . ? 
C2 C7 1.568(9) . ? 
C3 C4 1.550(10) . ? 
C4 C5 1.518(9) . ? 
C5 C6 1.536(8) . ? 
C5 C10 1.544(9) . ? 
C5 C7 1.559(9) . ? 
C7 C9 1.521(8) . ? 
C7 C8 1.533(9) . ? 
C11 C16 1.551(8) . ? 
C11 C12 1.560(8) . ? 
C12 C13 1.544(8) . ? 
C13 C14 1.536(8) . ? 
C13 C17 1.552(7) . ? 
C14 C15 1.554(8) . ? 
C15 C16 1.537(8) . ? 
C16 C20 1.518(8) . ? 
C16 C17 1.589(7) . ? 
C17 C18 1.532(8) . ? 
C17 C19 1.541(8) . ? 
C21 C26 1.389(9) . ? 
C21 C22 1.419(8) . ? 
C22 C23 1.382(8) . ? 
C23 C24 1.371(10) . ? 
C24 C25 1.417(11) . ? 
C25 C26 1.379(9) . ? 
C27 C28 1.570(8) . ? 
C27 C32 1.574(8) . ? 
C28 C29 1.544(9) . ? 
C28 C33 1.547(9) . ? 
C29 C30 1.540(10) . ? 
C30 C31 1.538(10) . ? 
C31 C36 1.489(10) . ? 
C31 C32 1.549(9) . ? 
C31 C33 1.569(9) . ? 
C33 C35 1.535(9) . ? 
C33 C34 1.549(9) . ? 
C37 C42 1.538(9) . ? 
C37 C38 1.587(9) . ? 
C38 C39 1.557(8) . ? 
C39 C40 1.527(8) . ? 
C39 C43 1.538(8) . ? 
C40 C41 1.569(10) . ? 
C41 C42 1.556(9) . ? 
C42 C46 1.508(10) . ? 
C42 C43 1.571(10) . ? 
C43 C44 1.545(9) . ? 
C43 C45 1.569(8) . ? 
C47 C52 1.392(8) . ? 
C47 C48 1.421(8) . ? 
C48 C49 1.383(9) . ? 
C49 C50 1.400(10) . ? 
C50 C51 1.386(10) . ? 
C51 C52 1.389(9) . ? 
C53 C54 1.508(9) . ? 
C55 C56 1.499(10) . ? 
C01 C07 1.3719 . ? 
C01 C02 1.3900 . ? 
C01 C06 1.3900 . ? 
C02 C03 1.3900 . ? 
C03 C04 1.3900 . ? 
C04 C05 1.3900 . ? 
C05 C06 1.3900 . ? 

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 
C19 Pd1 O5 89.84(19) . . ? 
C19 Pd1 O3 173.69(19) . . ? 
O5 Pd1 O3 86.36(15) . . ? 
C19 Pd1 P1 86.89(16) . . ? 
O5 Pd1 P1 175.54(12) . . ? 
O3 Pd1 P1 97.16(12) . . ? 
C19 Pd1 Pd2 101.04(17) . . ? 
O5 Pd1 Pd2 40.50(10) . . ? 
O3 Pd1 Pd2 79.25(11) . . ? 
P1 Pd1 Pd2 137.43(4) . . ? 
C45 Pd2 O5 89.5(2) . . ? 
C45 Pd2 O4 177.5(2) . . ? 
O5 Pd2 O4 88.14(16) . . ? 
C45 Pd2 P2 86.59(18) . . ? 
O5 Pd2 P2 174.27(11) . . ? 
O4 Pd2 P2 95.83(12) . . ? 
C45 Pd2 Pd1 104.59(17) . . ? 
O5 Pd2 Pd1 40.36(10) . . ? 
O4 Pd2 Pd1 73.13(11) . . ? 
P2 Pd2 Pd1 144.99(4) . . ? 
C21 P1 C12 101.2(3) . . ? 
C21 P1 C1 104.8(3) . . ? 
C12 P1 C1 100.9(3) . . ? 
C21 P1 Pd1 114.2(2) . . ? 
C12 P1 Pd1 113.34(19) . . ? 
C1 P1 Pd1 120.0(2) . . ? 
C47 P2 C38 104.7(3) . . ? 
C47 P2 C27 101.6(3) . . ? 
C38 P2 C27 100.2(3) . . ? 
C47 P2 Pd2 109.83(18) . . ? 
C38 P2 Pd2 112.7(2) . . ? 
C27 P2 Pd2 125.53(19) . . ? 
C6 O1 C11 113.4(4) . . ? 
C37 O2 C32 112.1(5) . . ? 
C53 O3 Pd1 124.5(4) . . ? 
C53 O4 Pd2 132.8(4) . . ? 
C55 O5 Pd1 121.6(4) . . ? 
C55 O5 Pd2 127.6(4) . . ? 
Pd1 O5 Pd2 99.14(15) . . ? 
C2 C1 C6 101.5(5) . . ? 
C2 C1 P1 120.8(4) . . ? 
C6 C1 P1 112.3(4) . . ? 
C3 C2 C1 109.9(5) . . ? 
C3 C2 C7 101.2(5) . . ? 
C1 C2 C7 101.1(5) . . ? 
C2 C3 C4 103.6(5) . . ? 
C5 C4 C3 103.4(5) . . ? 
C4 C5 C6 107.6(5) . . ? 
C4 C5 C10 114.1(5) . . ? 
C6 C5 C10 112.2(5) . . ? 
C4 C5 C7 102.4(5) . . ? 
C6 C5 C7 102.2(5) . . ? 
C10 C5 C7 117.1(5) . . ? 
O1 C6 C5 109.8(4) . . ? 
O1 C6 C1 113.4(4) . . ? 
C5 C6 C1 104.4(5) . . ? 
C9 C7 C8 106.9(6) . . ? 
C9 C7 C5 115.9(5) . . ? 
C8 C7 C5 114.4(6) . . ? 
C9 C7 C2 113.2(5) . . ? 
C8 C7 C2 113.5(5) . . ? 
C5 C7 C2 92.8(5) . . ? 
O1 C11 C16 110.9(5) . . ? 
O1 C11 C12 113.9(4) . . ? 
C16 C11 C12 103.6(4) . . ? 
C13 C12 C11 102.9(4) . . ? 
C13 C12 P1 109.6(4) . . ? 
C11 C12 P1 113.2(4) . . ? 
C14 C13 C12 107.3(5) . . ? 
C14 C13 C17 104.1(4) . . ? 
C12 C13 C17 102.2(4) . . ? 
C13 C14 C15 102.2(4) . . ? 
C16 C15 C14 104.7(4) . . ? 
C20 C16 C15 115.1(5) . . ? 
C20 C16 C11 113.8(5) . . ? 
C15 C16 C11 104.4(5) . . ? 
C20 C16 C17 117.6(5) . . ? 
C15 C16 C17 102.6(4) . . ? 
C11 C16 C17 101.4(4) . . ? 
C18 C17 C19 108.3(5) . . ? 
C18 C17 C13 112.2(5) . . ? 
C19 C17 C13 114.8(4) . . ? 
C18 C17 C16 112.5(5) . . ? 
C19 C17 C16 115.9(5) . . ? 
C13 C17 C16 92.5(4) . . ? 
C17 C19 Pd1 124.8(4) . . ? 
C26 C21 C22 117.7(5) . . ? 
C26 C21 P1 120.4(5) . . ? 
C22 C21 P1 121.9(5) . . ? 
C23 C22 C21 121.5(6) . . ? 
C24 C23 C22 119.9(6) . . ? 
C23 C24 C25 119.6(6) . . ? 
C26 C25 C24 120.1(7) . . ? 
C25 C26 C21 121.1(6) . . ? 
C28 C27 C32 101.6(5) . . ? 
C28 C27 P2 121.6(4) . . ? 
C32 C27 P2 111.2(4) . . ? 
C29 C28 C33 102.8(5) . . ? 
C29 C28 C27 108.5(5) . . ? 
C33 C28 C27 100.1(5) . . ? 
C30 C29 C28 103.7(5) . . ? 
C31 C30 C29 104.5(5) . . ? 
C36 C31 C30 114.3(7) . . ? 
C36 C31 C32 114.6(7) . . ? 
C30 C31 C32 106.8(5) . . ? 
C36 C31 C33 117.7(6) . . ? 
C30 C31 C33 102.2(6) . . ? 
C32 C31 C33 99.4(5) . . ? 
O2 C32 C31 110.0(5) . . ? 
O2 C32 C27 113.3(5) . . ? 
C31 C32 C27 104.9(5) . . ? 
C35 C33 C28 115.9(6) . . ? 
C35 C33 C34 106.0(5) . . ? 
C28 C33 C34 113.1(6) . . ? 
C35 C33 C31 114.7(6) . . ? 
C28 C33 C31 94.6(5) . . ? 
C34 C33 C31 112.7(6) . . ? 
O2 C37 C42 110.3(5) . . ? 
O2 C37 C38 113.5(5) . . ? 
C42 C37 C38 103.0(5) . . ? 
C39 C38 C37 102.2(5) . . ? 
C39 C38 P2 111.1(4) . . ? 
C37 C38 P2 111.6(4) . . ? 
C40 C39 C43 104.4(5) . . ? 
C40 C39 C38 107.4(5) . . ? 
C43 C39 C38 102.1(5) . . ? 
C39 C40 C41 102.0(6) . . ? 
C42 C41 C40 104.0(6) . . ? 
C46 C42 C37 115.1(7) . . ? 
C46 C42 C41 113.1(6) . . ? 
C37 C42 C41 104.4(5) . . ? 
C46 C42 C43 117.9(6) . . ? 
C37 C42 C43 103.3(5) . . ? 
C41 C42 C43 101.4(6) . . ? 
C39 C43 C44 111.7(5) . . ? 
C39 C43 C45 116.3(5) . . ? 
C44 C43 C45 108.2(5) . . ? 
C39 C43 C42 93.5(5) . . ? 
C44 C43 C42 114.1(6) . . ? 
C45 C43 C42 112.6(5) . . ? 
C43 C45 Pd2 122.4(4) . . ? 
C52 C47 C48 118.7(5) . . ? 
C52 C47 P2 119.4(4) . . ? 
C48 C47 P2 121.8(5) . . ? 
C49 C48 C47 120.0(6) . . ? 
C48 C49 C50 120.2(6) . . ? 
C51 C50 C49 120.2(6) . . ? 
C50 C51 C52 119.7(6) . . ? 
C51 C52 C47 121.2(6) . . ? 
O4 C53 O3 127.2(6) . . ? 
O4 C53 C54 117.0(6) . . ? 
O3 C53 C54 115.9(6) . . ? 
O6 C55 O5 123.4(6) . . ? 
O6 C55 C56 121.2(6) . . ? 
O5 C55 C56 115.4(6) . . ? 
C07 C01 C02 117.2 . . ? 
C07 C01 C06 122.8 . . ? 
C02 C01 C06 120.0 . . ? 
C01 C02 C03 120.0 . . ? 
C04 C03 C02 120.0 . . ? 
C05 C04 C03 120.0 . . ? 
C04 C05 C06 120.0 . . ? 
C05 C06 C01 120.0 . . ? 

_diffrn_measured_fraction_theta_max    0.995 
_diffrn_reflns_theta_full              25.34 
_diffrn_measured_fraction_theta_full   0.995 
_refine_diff_density_max    0.870 
_refine_diff_density_min   -0.633 
_refine_diff_density_rms    0.095