#------------------------------------------------------------------------------
#$Date: 2016-03-21 16:47:52 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178755 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/09/4100996.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_4100996
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja045533c
_journal_year                    2006
_chemical_absolute_configuration ad
_chemical_formula_sum            'C119 H94 O P4 Pd2'
_chemical_formula_weight         1876.62
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 102.67(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.7103(19)
_cell_length_b                   23.907(5)
_cell_length_c                   20.636(4)
_cell_measurement_temperature    173(2)
_cell_volume                     4674.1(16)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.333
_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_sg_symbol_H-M      'P 21'
_cod_database_code               4100996
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 1.45678(3) 0.534242(13) 0.786226(14) 0.02064(8) Uani 1 1 d . . .
Pd2 Pd 1.29494(3) 0.623330(12) 0.536842(14) 0.02174(8) Uani 1 1 d . . .
P1 P 1.35849(11) 0.60365(4) 0.83878(5) 0.0203(2) Uani 1 1 d . . .
P2 P 1.62119(11) 0.50712(5) 0.87809(5) 0.0223(2) Uani 1 1 d . . .
P3 P 1.17125(11) 0.54594(5) 0.48915(5) 0.0230(3) Uani 1 1 d . . .
P4 P 1.37540(12) 0.65050(5) 0.44543(5) 0.0231(2) Uani 1 1 d . . .
O1 O 1.5445(3) 0.59026(13) 0.65647(15) 0.0311(7) Uani 1 1 d . . .
C1 C 1.1705(4) 0.6169(2) 0.80175(18) 0.0261(10) Uani 1 1 d . . .
C2 C 1.0868(5) 0.5709(2) 0.7791(2) 0.0338(11) Uani 1 1 d . . .
H2A H 1.1267 0.5345 0.7837 0.041 Uiso 1 1 calc R . .
C3 C 0.9438(5) 0.5779(3) 0.7494(2) 0.0439(14) Uani 1 1 d . . .
H3A H 0.8869 0.5459 0.7354 0.053 Uiso 1 1 calc R . .
C4 C 0.8857(5) 0.6291(3) 0.7404(2) 0.0499(15) Uani 1 1 d . . .
H4A H 0.7887 0.6334 0.7198 0.060 Uiso 1 1 calc R . .
C5 C 0.9689(5) 0.6757(3) 0.7616(3) 0.0500(15) Uani 1 1 d . . .
H5A H 0.9286 0.7120 0.7548 0.060 Uiso 1 1 calc R . .
C6 C 1.1099(5) 0.6698(2) 0.7925(2) 0.0362(12) Uani 1 1 d . . .
H6A H 1.1653 0.7019 0.8074 0.043 Uiso 1 1 calc R . .
C7 C 1.4393(4) 0.67249(18) 0.8410(2) 0.0241(10) Uani 1 1 d . . .
C8 C 1.5272(5) 0.6837(2) 0.7979(2) 0.0325(11) Uani 1 1 d . . .
H8A H 1.5485 0.6552 0.7695 0.039 Uiso 1 1 calc R . .
C9 C 1.5841(6) 0.7370(2) 0.7966(3) 0.0505(15) Uani 1 1 d . . .
H9A H 1.6429 0.7451 0.7666 0.061 Uiso 1 1 calc R . .
C10 C 1.5554(7) 0.7777(2) 0.8384(3) 0.0544(15) Uani 1 1 d . . .
H10A H 1.5956 0.8138 0.8374 0.065 Uiso 1 1 calc R . .
C11 C 1.4688(6) 0.7670(2) 0.8818(3) 0.0480(14) Uani 1 1 d . . .
H11A H 1.4487 0.7956 0.9103 0.058 Uiso 1 1 calc R . .
C12 C 1.4122(5) 0.71459(19) 0.8833(2) 0.0334(11) Uani 1 1 d . . .
H12A H 1.3538 0.7069 0.9136 0.040 Uiso 1 1 calc R . .
C13 C 1.3584(4) 0.58699(17) 0.92692(19) 0.0199(9) Uani 1 1 d . . .
C14 C 1.4824(4) 0.58440(17) 0.97454(18) 0.0200(9) Uani 1 1 d . . .
C15 C 1.4800(4) 0.56448(17) 1.04034(19) 0.0225(9) Uani 1 1 d . . .
C16 C 1.6029(5) 0.56153(18) 1.0921(2) 0.0280(10) Uani 1 1 d . . .
H16A H 1.6904 0.5742 1.0841 0.034 Uiso 1 1 calc R . .
C17 C 1.5980(5) 0.5409(2) 1.1532(2) 0.0334(11) Uani 1 1 d . . .
H17A H 1.6817 0.5395 1.1872 0.040 Uiso 1 1 calc R . .
C18 C 1.4693(5) 0.5217(2) 1.1664(2) 0.0377(12) Uani 1 1 d . . .
H18A H 1.4667 0.5069 1.2089 0.045 Uiso 1 1 calc R . .
C19 C 1.3497(5) 0.5243(2) 1.1182(2) 0.0343(11) Uani 1 1 d . . .
H19A H 1.2635 0.5113 1.1273 0.041 Uiso 1 1 calc R . .
C20 C 1.3508(5) 0.54606(17) 1.0545(2) 0.0245(10) Uani 1 1 d . . .
C21 C 1.2269(4) 0.54958(18) 1.0044(2) 0.0275(10) Uani 1 1 d . . .
H21A H 1.1396 0.5379 1.0135 0.033 Uiso 1 1 calc R . .
C22 C 1.2302(4) 0.56963(18) 0.9424(2) 0.0256(10) Uani 1 1 d . . .
H22A H 1.1451 0.5719 0.9095 0.031 Uiso 1 1 calc R . .
C23 C 1.6941(4) 0.57077(17) 0.92312(19) 0.0201(9) Uani 1 1 d . . .
C24 C 1.6215(4) 0.60285(17) 0.96119(19) 0.0201(9) Uani 1 1 d . . .
C25 C 1.6802(4) 0.65472(17) 0.98753(19) 0.0204(9) Uani 1 1 d . . .
C26 C 1.6153(5) 0.68866(18) 1.0290(2) 0.0281(10) Uani 1 1 d . . .
H26A H 1.5295 0.6766 1.0394 0.034 Uiso 1 1 calc R . .
C27 C 1.6734(5) 0.7380(2) 1.0541(2) 0.0365(12) Uani 1 1 d . . .
H27A H 1.6282 0.7597 1.0820 0.044 Uiso 1 1 calc R . .
C28 C 1.7990(5) 0.7570(2) 1.0394(3) 0.0410(13) Uani 1 1 d . . .
H28A H 1.8393 0.7913 1.0576 0.049 Uiso 1 1 calc R . .
C29 C 1.8637(5) 0.7268(2) 0.9992(3) 0.0390(13) Uani 1 1 d . . .
H29A H 1.9477 0.7406 0.9885 0.047 Uiso 1 1 calc R . .
C30 C 1.8078(5) 0.67469(19) 0.9729(2) 0.0291(11) Uani 1 1 d . . .
C31 C 1.8738(5) 0.6419(2) 0.9322(2) 0.0354(12) Uani 1 1 d . . .
H31A H 1.9575 0.6554 0.9209 0.042 Uiso 1 1 calc R . .
C32 C 1.8215(5) 0.5914(2) 0.9083(2) 0.0321(11) Uani 1 1 d . . .
H32A H 1.8700 0.5698 0.8817 0.039 Uiso 1 1 calc R . .
C33 C 1.5532(4) 0.46228(17) 0.9354(2) 0.0251(10) Uani 1 1 d . . .
C34 C 1.4315(5) 0.4323(2) 0.9085(3) 0.0414(13) Uani 1 1 d . . .
H34A H 1.3863 0.4374 0.8632 0.050 Uiso 1 1 calc R . .
C35 C 1.3757(5) 0.3954(2) 0.9471(3) 0.0596(18) Uani 1 1 d . . .
H35A H 1.2931 0.3748 0.9281 0.072 Uiso 1 1 calc R . .
C36 C 1.4382(6) 0.3882(2) 1.0121(3) 0.0564(17) Uani 1 1 d . . .
H36A H 1.3979 0.3632 1.0385 0.068 Uiso 1 1 calc R . .
C37 C 1.5600(6) 0.4170(2) 1.0402(3) 0.0489(15) Uani 1 1 d . . .
H37A H 1.6030 0.4119 1.0858 0.059 Uiso 1 1 calc R . .
C38 C 1.6193(5) 0.45325(18) 1.0015(2) 0.0329(11) Uani 1 1 d . . .
H38A H 1.7051 0.4720 1.0201 0.039 Uiso 1 1 calc R . .
C39 C 1.7794(4) 0.46899(18) 0.8686(2) 0.0258(10) Uani 1 1 d . . .
C40 C 1.8922(6) 0.4575(3) 0.9196(3) 0.0598(17) Uani 1 1 d . . .
H40A H 1.8906 0.4702 0.9631 0.072 Uiso 1 1 calc R . .
C41 C 2.0073(6) 0.4281(3) 0.9099(3) 0.070(2) Uani 1 1 d . . .
H41A H 2.0838 0.4207 0.9463 0.084 Uiso 1 1 calc R . .
C42 C 2.0118(6) 0.4095(3) 0.8479(3) 0.0612(18) Uani 1 1 d . . .
H42A H 2.0889 0.3874 0.8413 0.073 Uiso 1 1 calc R . .
C43 C 1.9047(7) 0.4228(3) 0.7956(3) 0.076(2) Uani 1 1 d . . .
H43A H 1.9094 0.4122 0.7517 0.091 Uiso 1 1 calc R . .
C44 C 1.7888(6) 0.4519(3) 0.8070(3) 0.0551(16) Uani 1 1 d . . .
H44A H 1.7135 0.4603 0.7704 0.066 Uiso 1 1 calc R . .
C45 C 1.2641(5) 0.48107(18) 0.4822(2) 0.0255(10) Uani 1 1 d . . .
C46 C 1.2036(5) 0.43703(18) 0.4417(2) 0.0317(11) Uani 1 1 d . . .
H46A H 1.1133 0.4415 0.4131 0.038 Uiso 1 1 calc R . .
C47 C 1.2741(6) 0.3870(2) 0.4428(3) 0.0413(13) Uani 1 1 d . . .
H47A H 1.2329 0.3573 0.4146 0.050 Uiso 1 1 calc R . .
C48 C 1.4036(6) 0.3800(2) 0.4845(3) 0.0430(13) Uani 1 1 d . . .
H48A H 1.4504 0.3449 0.4865 0.052 Uiso 1 1 calc R . .
C49 C 1.4657(5) 0.4235(2) 0.5233(3) 0.0442(13) Uani 1 1 d . . .
H49A H 1.5571 0.4189 0.5509 0.053 Uiso 1 1 calc R . .
C50 C 1.3971(5) 0.47399(19) 0.5228(2) 0.0288(10) Uani 1 1 d . . .
H50A H 1.4407 0.5039 0.5501 0.035 Uiso 1 1 calc R . .
C51 C 1.0273(4) 0.52305(19) 0.5289(2) 0.0295(11) Uani 1 1 d . . .
C52 C 0.9992(5) 0.4676(2) 0.5408(2) 0.0398(13) Uani 1 1 d . . .
H52A H 1.0529 0.4388 0.5265 0.048 Uiso 1 1 calc R . .
C53 C 0.8926(6) 0.4540(3) 0.5736(3) 0.0599(17) Uani 1 1 d . . .
H53A H 0.8746 0.4158 0.5817 0.072 Uiso 1 1 calc R . .
C54 C 0.8136(5) 0.4950(3) 0.5941(3) 0.0497(15) Uani 1 1 d . . .
H54A H 0.7403 0.4854 0.6160 0.060 Uiso 1 1 calc R . .
C55 C 0.8407(5) 0.5496(2) 0.5831(2) 0.0411(13) Uani 1 1 d . . .
H55A H 0.7853 0.5781 0.5970 0.049 Uiso 1 1 calc R . .
C56 C 0.9486(5) 0.5642(2) 0.5518(2) 0.0336(11) Uani 1 1 d . . .
H56A H 0.9686 0.6026 0.5459 0.040 Uiso 1 1 calc R . .
C57 C 1.0825(4) 0.56463(18) 0.4034(2) 0.0244(10) Uani 1 1 d . . .
C58 C 1.1560(4) 0.56935(18) 0.35288(19) 0.0238(10) Uani 1 1 d . . .
C59 C 1.0857(4) 0.58994(18) 0.2884(2) 0.0259(10) Uani 1 1 d . . .
C60 C 1.1538(5) 0.5925(2) 0.2340(2) 0.0316(11) Uani 1 1 d . . .
H60A H 1.2481 0.5796 0.2394 0.038 Uiso 1 1 calc R . .
C61 C 1.0846(5) 0.6134(2) 0.1744(2) 0.0395(12) Uani 1 1 d . . .
H61A H 1.1307 0.6135 0.1383 0.047 Uiso 1 1 calc R . .
C62 C 0.9477(5) 0.6346(2) 0.1649(2) 0.0444(14) Uani 1 1 d . . .
H62A H 0.9024 0.6502 0.1234 0.053 Uiso 1 1 calc R . .
C63 C 0.8793(5) 0.6326(2) 0.2166(2) 0.0423(13) Uani 1 1 d . . .
H63A H 0.7863 0.6472 0.2106 0.051 Uiso 1 1 calc R . .
C64 C 0.9451(5) 0.6093(2) 0.2786(2) 0.0325(11) Uani 1 1 d . . .
C65 C 0.8747(5) 0.6048(2) 0.3311(2) 0.0365(12) Uani 1 1 d . . .
H65A H 0.7802 0.6177 0.3249 0.044 Uiso 1 1 calc R . .
C66 C 0.9398(5) 0.5823(2) 0.3908(2) 0.0352(12) Uani 1 1 d . . .
H66A H 0.8881 0.5784 0.4246 0.042 Uiso 1 1 calc R . .
C67 C 1.4157(4) 0.58790(18) 0.40097(19) 0.0207(9) Uani 1 1 d . . .
C68 C 1.3099(4) 0.55392(17) 0.3643(2) 0.0227(10) Uani 1 1 d . . .
C69 C 1.3472(5) 0.50210(18) 0.33732(19) 0.0259(10) Uani 1 1 d . . .
C70 C 1.2466(5) 0.46714(19) 0.2966(2) 0.0330(11) Uani 1 1 d . . .
H70A H 1.1506 0.4786 0.2851 0.040 Uiso 1 1 calc R . .
C71 C 1.2852(6) 0.4169(2) 0.2734(2) 0.0414(13) Uani 1 1 d . . .
H71A H 1.2157 0.3941 0.2462 0.050 Uiso 1 1 calc R . .
C72 C 1.4265(6) 0.3989(2) 0.2895(2) 0.0434(13) Uani 1 1 d . . .
H72A H 1.4522 0.3641 0.2733 0.052 Uiso 1 1 calc R . .
C73 C 1.5249(5) 0.4311(2) 0.3280(2) 0.0391(12) Uani 1 1 d . . .
H73A H 1.6198 0.4183 0.3396 0.047 Uiso 1 1 calc R . .
C74 C 1.4901(5) 0.48420(18) 0.3519(2) 0.0277(10) Uani 1 1 d . . .
C75 C 1.5923(5) 0.51867(19) 0.3905(2) 0.0312(11) Uani 1 1 d . . .
H75A H 1.6880 0.5068 0.4009 0.037 Uiso 1 1 calc R . .
C76 C 1.5574(5) 0.56897(19) 0.4134(2) 0.0279(10) Uani 1 1 d . . .
H76A H 1.6298 0.5919 0.4384 0.034 Uiso 1 1 calc R . .
C77 C 1.2650(5) 0.69540(17) 0.3840(2) 0.0266(10) Uani 1 1 d . . .
C78 C 1.2813(5) 0.70067(19) 0.3183(2) 0.0299(10) Uani 1 1 d . . .
H78A H 1.3524 0.6797 0.3042 0.036 Uiso 1 1 calc R . .
C79 C 1.1957(5) 0.7358(2) 0.2743(2) 0.0393(12) Uani 1 1 d . . .
H79A H 1.2080 0.7394 0.2300 0.047 Uiso 1 1 calc R . .
C80 C 1.0932(6) 0.7655(2) 0.2947(3) 0.0573(16) Uani 1 1 d . . .
H80A H 1.0330 0.7895 0.2643 0.069 Uiso 1 1 calc R . .
C81 C 1.0757(7) 0.7611(3) 0.3598(3) 0.0666(19) Uani 1 1 d . . .
H81A H 1.0052 0.7825 0.3738 0.080 Uiso 1 1 calc R . .
C82 C 1.1605(5) 0.7258(2) 0.4036(3) 0.0440(13) Uani 1 1 d . . .
H82A H 1.1471 0.7222 0.4476 0.053 Uiso 1 1 calc R . .
C83 C 1.5451(4) 0.68729(18) 0.4659(2) 0.0278(10) Uani 1 1 d . . .
C84 C 1.5889(5) 0.7252(2) 0.4241(3) 0.0526(16) Uani 1 1 d . . .
H84A H 1.5290 0.7342 0.3825 0.063 Uiso 1 1 calc R . .
C85 C 1.7219(6) 0.7503(3) 0.4433(3) 0.068(2) Uani 1 1 d . . .
H85A H 1.7510 0.7768 0.4147 0.082 Uiso 1 1 calc R . .
C86 C 1.8104(6) 0.7375(2) 0.5023(3) 0.0502(15) Uani 1 1 d . . .
H86A H 1.9011 0.7543 0.5144 0.060 Uiso 1 1 calc R . .
C87 C 1.7665(5) 0.7000(2) 0.5440(3) 0.0401(12) Uani 1 1 d . . .
H87A H 1.8273 0.6910 0.5853 0.048 Uiso 1 1 calc R . .
C88 C 1.6356(5) 0.6754(2) 0.5267(2) 0.0341(11) Uani 1 1 d . . .
H88A H 1.6065 0.6500 0.5565 0.041 Uiso 1 1 calc R . .
C89 C 1.4490(5) 0.48634(18) 0.6957(2) 0.0230(10) Uani 1 1 d . . .
H89A H 1.5368 0.4883 0.6780 0.028 Uiso 1 1 calc R . .
C90 C 1.3625(4) 0.5336(2) 0.68267(17) 0.0235(9) Uani 1 1 d . . .
H90A H 1.2583 0.5274 0.6694 0.028 Uiso 1 1 calc R . .
C91 C 1.4193(4) 0.58602(18) 0.65991(18) 0.0235(10) Uani 1 1 d . . .
C92 C 1.3183(4) 0.63184(18) 0.64184(18) 0.0255(10) Uani 1 1 d . . .
H92A H 1.2317 0.6322 0.6606 0.031 Uiso 1 1 calc R . .
C93 C 1.3621(4) 0.68210(17) 0.61689(19) 0.0244(10) Uani 1 1 d . . .
H93A H 1.4667 0.6878 0.6288 0.029 Uiso 1 1 calc R . .
C94 C 1.3968(5) 0.42921(19) 0.7024(2) 0.0290(11) Uani 1 1 d . . .
C95 C 1.4833(5) 0.3832(2) 0.7000(2) 0.0393(12) Uani 1 1 d . . .
H95A H 1.5757 0.3889 0.6929 0.047 Uiso 1 1 calc R . .
C96 C 1.4373(7) 0.3289(2) 0.7077(3) 0.0544(15) Uani 1 1 d . . .
H96A H 1.4988 0.2982 0.7067 0.065 Uiso 1 1 calc R . .
C97 C 1.3043(7) 0.3198(2) 0.7167(3) 0.0553(16) Uani 1 1 d . . .
H97A H 1.2732 0.2828 0.7221 0.066 Uiso 1 1 calc R . .
C98 C 1.2143(6) 0.3646(2) 0.7179(3) 0.0545(15) Uani 1 1 d . . .
H98A H 1.1212 0.3583 0.7237 0.065 Uiso 1 1 calc R . .
C99 C 1.2602(5) 0.4184(2) 0.7107(2) 0.0403(12) Uani 1 1 d . . .
H99A H 1.1976 0.4488 0.7114 0.048 Uiso 1 1 calc R . .
C100 C 1.2820(5) 0.73444(18) 0.6091(2) 0.0270(10) Uani 1 1 d . . .
C101 C 1.3280(6) 0.7799(2) 0.5767(3) 0.0417(13) Uani 1 1 d . . .
H10B H 1.4121 0.7762 0.5607 0.050 Uiso 1 1 calc R . .
C102 C 1.2563(7) 0.8295(2) 0.5673(3) 0.0535(15) Uani 1 1 d . . .
H10C H 1.2898 0.8592 0.5443 0.064 Uiso 1 1 calc R . .
C103 C 1.1349(6) 0.8365(2) 0.5912(3) 0.0519(15) Uani 1 1 d . . .
H10D H 1.0844 0.8708 0.5846 0.062 Uiso 1 1 calc R . .
C104 C 1.0883(6) 0.7931(2) 0.6247(3) 0.0485(14) Uani 1 1 d . . .
H10E H 1.0060 0.7976 0.6420 0.058 Uiso 1 1 calc R . .
C105 C 1.1612(5) 0.7428(2) 0.6332(2) 0.0391(12) Uani 1 1 d . . .
H10F H 1.1273 0.7133 0.6562 0.047 Uiso 1 1 calc R . .
C106 C 0.9409(8) 0.3377(4) 0.1816(4) 0.080(2) Uani 1 1 d . . .
H10G H 0.9074 0.3099 0.2073 0.096 Uiso 1 1 calc R . .
C107 C 1.0275(9) 0.3212(4) 0.1416(4) 0.091(2) Uani 1 1 d . . .
H10H H 1.0563 0.2833 0.1408 0.109 Uiso 1 1 calc R . .
C108 C 1.0723(8) 0.3602(4) 0.1025(3) 0.083(2) Uani 1 1 d . . .
H10I H 1.1292 0.3491 0.0727 0.099 Uiso 1 1 calc R . .
C109 C 1.0355(8) 0.4151(4) 0.1061(3) 0.088(3) Uani 1 1 d . . .
H10J H 1.0691 0.4421 0.0795 0.106 Uiso 1 1 calc R . .
C110 C 0.9487(8) 0.4319(4) 0.1485(4) 0.084(2) Uani 1 1 d . . .
H11B H 0.9235 0.4701 0.1510 0.101 Uiso 1 1 calc R . .
C111 C 0.8993(7) 0.3912(4) 0.1873(3) 0.086(2) Uani 1 1 d . . .
C112 C 0.8087(10) 0.4087(5) 0.2327(4) 0.150(5) Uani 1 1 d . . .
H11C H 0.7824 0.3759 0.2556 0.225 Uiso 1 1 calc R . .
H11D H 0.7234 0.4268 0.2071 0.225 Uiso 1 1 calc R . .
H11E H 0.8605 0.4352 0.2654 0.225 Uiso 1 1 calc R . .
C113 C 0.2817(6) 0.7071(3) 1.0567(4) 0.0649(19) Uani 1 1 d . . .
H11F H 0.2714 0.6681 1.0481 0.078 Uiso 1 1 calc R . .
C114 C 0.2191(7) 0.7441(4) 1.0082(4) 0.077(2) Uani 1 1 d . . .
H11G H 0.1669 0.7301 0.9669 0.093 Uiso 1 1 calc R . .
C115 C 0.2303(7) 0.7996(4) 1.0181(4) 0.079(2) Uani 1 1 d . . .
H11H H 0.1877 0.8249 0.9840 0.095 Uiso 1 1 calc R . .
C116 C 0.3043(7) 0.8192(3) 1.0782(4) 0.0714(19) Uani 1 1 d . . .
H11I H 0.3099 0.8583 1.0862 0.086 Uiso 1 1 calc R . .
C117 C 0.3705(6) 0.7831(2) 1.1270(3) 0.0550(15) Uani 1 1 d . . .
H11J H 0.4245 0.7976 1.1675 0.066 Uiso 1 1 calc R . .
C118 C 0.3592(6) 0.7248(2) 1.1175(3) 0.0514(16) Uani 1 1 d . . .
C119 C 0.4394(7) 0.6859(3) 1.1698(3) 0.080(2) Uani 1 1 d . . .
H11K H 0.4235 0.6472 1.1546 0.120 Uiso 1 1 calc R . .
H11L H 0.4065 0.6908 1.2111 0.120 Uiso 1 1 calc R . .
H11M H 0.5404 0.6945 1.1778 0.120 Uiso 1 1 calc R . .
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 C90 2.132(3) . ?
Pd1 C89 2.179(4) . ?
Pd1 P2 2.2881(13) . ?
Pd1 P1 2.3009(11) . ?
Pd2 C92 2.138(4) . ?
Pd2 C93 2.158(4) . ?
Pd2 P4 2.2885(12) . ?
Pd2 P3 2.3057(12) . ?
P1 C7 1.819(4) . ?
P1 C1 1.845(4) . ?
P1 C13 1.862(4) . ?
P2 C33 1.824(4) . ?
P2 C39 1.833(4) . ?
P2 C23 1.842(4) . ?
P3 C45 1.815(4) . ?
P3 C57 1.844(4) . ?
P3 C51 1.852(4) . ?
P4 C77 1.820(4) . ?
P4 C83 1.834(4) . ?
P4 C67 1.842(4) . ?
O1 C91 1.237(5) . ?
C1 C2 1.385(6) . ?
C1 C6 1.390(7) . ?
C2 C3 1.400(7) . ?
C3 C4 1.344(8) . ?
C4 C5 1.388(8) . ?
C5 C6 1.386(7) . ?
C7 C8 1.387(6) . ?
C7 C12 1.395(6) . ?
C8 C9 1.390(7) . ?
C9 C10 1.369(7) . ?
C10 C11 1.381(8) . ?
C11 C12 1.371(7) . ?
C13 C14 1.378(6) . ?
C13 C22 1.414(6) . ?
C14 C15 1.444(5) . ?
C14 C24 1.503(6) . ?
C15 C16 1.418(6) . ?
C15 C20 1.419(6) . ?
C16 C17 1.365(6) . ?
C17 C18 1.413(6) . ?
C18 C19 1.355(6) . ?
C19 C20 1.416(6) . ?
C20 C21 1.407(6) . ?
C21 C22 1.372(6) . ?
C23 C24 1.395(5) . ?
C23 C32 1.426(6) . ?
C24 C25 1.422(6) . ?
C25 C30 1.421(6) . ?
C25 C26 1.423(6) . ?
C26 C27 1.361(6) . ?
C27 C28 1.396(6) . ?
C28 C29 1.354(7) . ?
C29 C30 1.418(6) . ?
C30 C31 1.402(6) . ?
C31 C32 1.360(6) . ?
C33 C38 1.390(6) . ?
C33 C34 1.389(6) . ?
C34 C35 1.377(7) . ?
C35 C36 1.356(8) . ?
C36 C37 1.381(8) . ?
C37 C38 1.387(7) . ?
C39 C44 1.358(6) . ?
C39 C40 1.371(7) . ?
C40 C41 1.371(7) . ?
C41 C42 1.365(7) . ?
C42 C43 1.363(8) . ?
C43 C44 1.387(7) . ?
C45 C50 1.387(6) . ?
C45 C46 1.392(6) . ?
C46 C47 1.376(7) . ?
C47 C48 1.369(7) . ?
C48 C49 1.370(7) . ?
C49 C50 1.377(7) . ?
C51 C52 1.385(6) . ?
C51 C56 1.390(6) . ?
C52 C53 1.394(6) . ?
C53 C54 1.369(8) . ?
C54 C55 1.360(7) . ?
C55 C56 1.391(6) . ?
C57 C58 1.391(6) . ?
C57 C66 1.418(6) . ?
C58 C59 1.442(6) . ?
C58 C68 1.507(6) . ?
C59 C64 1.414(6) . ?
C59 C60 1.424(6) . ?
C60 C61 1.359(6) . ?
C61 C62 1.397(7) . ?
C62 C63 1.376(6) . ?
C63 C64 1.412(6) . ?
C64 C65 1.406(6) . ?
C65 C66 1.366(6) . ?
C67 C68 1.396(6) . ?
C67 C76 1.417(6) . ?
C68 C69 1.436(6) . ?
C69 C70 1.414(6) . ?
C69 C74 1.420(6) . ?
C70 C71 1.376(6) . ?
C71 C72 1.406(7) . ?
C72 C73 1.343(7) . ?
C73 C74 1.429(6) . ?
C74 C75 1.397(6) . ?
C75 C76 1.362(6) . ?
C77 C82 1.378(6) . ?
C77 C78 1.404(6) . ?
C78 C79 1.376(6) . ?
C79 C80 1.362(7) . ?
C80 C81 1.395(7) . ?
C81 C82 1.371(7) . ?
C83 C84 1.381(6) . ?
C83 C88 1.394(6) . ?
C84 C85 1.401(7) . ?
C85 C86 1.362(7) . ?
C86 C87 1.373(7) . ?
C87 C88 1.376(6) . ?
C89 C90 1.399(6) . ?
C89 C94 1.474(6) . ?
C90 C91 1.486(6) . ?
C91 C92 1.463(6) . ?
C92 C93 1.409(6) . ?
C93 C100 1.463(6) . ?
C94 C95 1.392(6) . ?
C94 C99 1.398(6) . ?
C95 C96 1.392(7) . ?
C96 C97 1.362(8) . ?
C97 C98 1.385(8) . ?
C98 C99 1.381(7) . ?
C100 C105 1.385(6) . ?
C100 C101 1.400(7) . ?
C101 C102 1.366(7) . ?
C102 C103 1.385(8) . ?
C103 C104 1.377(8) . ?
C104 C105 1.386(7) . ?
C106 C111 1.354(10) . ?
C106 C107 1.361(10) . ?
C107 C108 1.365(10) . ?
C108 C109 1.366(11) . ?
C109 C110 1.401(10) . ?
C110 C111 1.410(10) . ?
C111 C112 1.479(10) . ?
C113 C114 1.372(10) . ?
C113 C118 1.381(8) . ?
C114 C115 1.344(10) . ?
C115 C116 1.372(9) . ?
C116 C117 1.373(8) . ?
C117 C118 1.408(8) . ?
C118 C119 1.506(8) . ?
