#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/28/4062874.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_4062874
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049727c
_journal_year                    2004
_chemical_formula_sum            'C51 H59 N2 O P Pd'
_chemical_formula_weight         853.37
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                100.3810(10)
_cell_angle_beta                 102.6620(10)
_cell_angle_gamma                105.9370(10)
_cell_formula_units_Z            4
_cell_length_a                   15.1511(9)
_cell_length_b                   17.8042(11)
_cell_length_c                   21.5514(13)
_cell_measurement_temperature    100(2)
_cell_volume                     5272.1(6)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.075
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4062874
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.120811(15) 0.614332(15) 0.789323(12) 0.01795(6) Uani 1 1 d . . .
P1A P 0.07453(5) 0.57220(5) 0.87546(4) 0.01911(18) Uani 1 1 d . . .
O1A O 0.22815(12) 0.55737(12) 0.79569(9) 0.0192(5) Uani 1 1 d . . .
N1A N 0.18802(15) 0.73113(15) 0.70793(12) 0.0201(6) Uani 1 1 d . . .
N2A N 0.20801(15) 0.61438(14) 0.68132(12) 0.0195(6) Uani 1 1 d . . .
C1A C 0.17171(18) 0.65828(18) 0.71997(14) 0.0182(7) Uani 1 1 d . . .
C2A C 0.2515(2) 0.74345(19) 0.66485(16) 0.0282(8) Uani 1 1 d . . .
H2AA H 0.3179 0.7768 0.6904 0.034 Uiso 1 1 calc R . .
H2AB H 0.2280 0.7691 0.6305 0.034 Uiso 1 1 calc R . .
C3A C 0.2450(2) 0.65789(18) 0.63546(16) 0.0276(8) Uani 1 1 d . . .
H3AA H 0.2004 0.6366 0.5905 0.033 Uiso 1 1 calc R . .
H3AB H 0.3086 0.6542 0.6341 0.033 Uiso 1 1 calc R . .
C4A C 0.1692(2) 0.79860(18) 0.74296(16) 0.0212(7) Uani 1 1 d . . .
C5A C 0.0927(2) 0.82173(18) 0.71058(15) 0.0212(7) Uani 1 1 d . . .
C6A C 0.0741(2) 0.88587(19) 0.74592(17) 0.0272(8) Uani 1 1 d . . .
H6AA H 0.0225 0.9021 0.7258 0.033 Uiso 1 1 calc R . .
C7A C 0.1278(2) 0.9264(2) 0.80888(17) 0.0315(8) Uani 1 1 d . . .
H7AA H 0.1136 0.9704 0.8319 0.038 Uiso 1 1 calc R . .
C8A C 0.2028(2) 0.90342(19) 0.83914(17) 0.0305(8) Uani 1 1 d . . .
H8AA H 0.2393 0.9313 0.8832 0.037 Uiso 1 1 calc R . .
C9A C 0.2255(2) 0.84079(18) 0.80649(15) 0.0214(7) Uani 1 1 d . . .
C10A C 0.0329(2) 0.77911(19) 0.64095(15) 0.0259(8) Uani 1 1 d . . .
H10A H 0.0457 0.7272 0.6279 0.031 Uiso 1 1 calc R . .
C11A C 0.0595(2) 0.8306(2) 0.59391(16) 0.0332(8) Uani 1 1 d . . .
H11A H 0.1279 0.8429 0.5977 0.050 Uiso 1 1 calc R . .
H11B H 0.0456 0.8811 0.6053 0.050 Uiso 1 1 calc R . .
H11C H 0.0221 0.8008 0.5487 0.050 Uiso 1 1 calc R . .
C12A C -0.0752(2) 0.7598(2) 0.63381(17) 0.0372(9) Uani 1 1 d . . .
H12A H -0.0933 0.7261 0.6632 0.056 Uiso 1 1 calc R . .
H12B H -0.1117 0.7308 0.5882 0.056 Uiso 1 1 calc R . .
H12C H -0.0891 0.8102 0.6455 0.056 Uiso 1 1 calc R . .
C13A C 0.31435(19) 0.82318(19) 0.84054(16) 0.0265(8) Uani 1 1 d . . .
H13A H 0.3157 0.7720 0.8133 0.032 Uiso 1 1 calc R . .
C14A C 0.4045(2) 0.8916(2) 0.84467(19) 0.0421(10) Uani 1 1 d . . .
H14A H 0.4038 0.8985 0.8005 0.063 Uiso 1 1 calc R . .
H14B H 0.4614 0.8781 0.8633 0.063 Uiso 1 1 calc R . .
H14C H 0.4058 0.9419 0.8728 0.063 Uiso 1 1 calc R . .
C15A C 0.3129(2) 0.8121(2) 0.90900(16) 0.0395(9) Uani 1 1 d . . .
H15A H 0.2551 0.7681 0.9055 0.059 Uiso 1 1 calc R . .
H15B H 0.3131 0.8622 0.9368 0.059 Uiso 1 1 calc R . .
H15C H 0.3696 0.7989 0.9286 0.059 Uiso 1 1 calc R . .
C16A C 0.20934(18) 0.53522(18) 0.68014(15) 0.0193(7) Uani 1 1 d . . .
C17A C 0.1992(2) 0.48410(19) 0.62013(16) 0.0258(8) Uani 1 1 d . . .
H17A H 0.1842 0.5009 0.5808 0.031 Uiso 1 1 calc R . .
C18A C 0.2107(2) 0.40986(19) 0.61689(16) 0.0253(7) Uani 1 1 d . . .
C19A C 0.23782(19) 0.38932(18) 0.67609(15) 0.0238(7) Uani 1 1 d . . .
H19A H 0.2502 0.3396 0.6744 0.029 Uiso 1 1 calc R . .
C20A C 0.24773(18) 0.43707(17) 0.73703(15) 0.0173(7) Uani 1 1 d . . .
C21A C 0.22691(18) 0.51136(18) 0.73983(14) 0.0181(7) Uani 1 1 d . . .
C22A C 0.1957(3) 0.3525(2) 0.55191(16) 0.0439(10) Uani 1 1 d . . .
H22A H 0.1767 0.3768 0.5160 0.066 Uiso 1 1 calc R . .
H22B H 0.1453 0.3017 0.5468 0.066 Uiso 1 1 calc R . .
H22C H 0.2554 0.3416 0.5507 0.066 Uiso 1 1 calc R . .
C23A C 0.28089(19) 0.41134(17) 0.79995(15) 0.0195(7) Uani 1 1 d . . .
C24A C 0.3122(2) 0.33592(19) 0.78623(16) 0.0301(8) Uani 1 1 d . . .
H24A H 0.2574 0.2902 0.7557 0.036 Uiso 1 1 calc R . .
H24B H 0.3640 0.3470 0.7646 0.036 Uiso 1 1 calc R . .
C25A C 0.20014(19) 0.39090(19) 0.83313(15) 0.0238(7) Uani 1 1 d . . .
H25A H 0.1802 0.4389 0.8444 0.029 Uiso 1 1 calc R . .
H25B H 0.1441 0.3469 0.8021 0.029 Uiso 1 1 calc R . .
C26A C 0.36714(19) 0.47860(18) 0.84984(15) 0.0259(8) Uani 1 1 d . . .
H26A H 0.4209 0.4908 0.8301 0.031 Uiso 1 1 calc R . .
H26B H 0.3498 0.5282 0.8600 0.031 Uiso 1 1 calc R . .
C27A C 0.3476(2) 0.3124(2) 0.84969(17) 0.0333(9) Uani 1 1 d . . .
H27A H 0.3682 0.2641 0.8390 0.040 Uiso 1 1 calc R . .
C28A C 0.2638(2) 0.29090(19) 0.88012(17) 0.0326(9) Uani 1 1 d . . .
H28A H 0.2095 0.2455 0.8488 0.039 Uiso 1 1 calc R . .
H28B H 0.2842 0.2742 0.9208 0.039 Uiso 1 1 calc R . .
C29A C 0.2333(2) 0.36466(19) 0.89563(16) 0.0279(8) Uani 1 1 d . . .
H29A H 0.1792 0.3513 0.9157 0.033 Uiso 1 1 calc R . .
C30A C 0.3170(2) 0.4348(2) 0.94460(16) 0.0320(8) Uani 1 1 d . . .
H30A H 0.3380 0.4194 0.9859 0.038 Uiso 1 1 calc R . .
H30B H 0.2967 0.4827 0.9552 0.038 Uiso 1 1 calc R . .
C31A C 0.3995(2) 0.4548(2) 0.91375(17) 0.0320(8) Uani 1 1 d . . .
H31A H 0.4548 0.5004 0.9453 0.038 Uiso 1 1 calc R . .
C32A C 0.4303(2) 0.3806(2) 0.89789(17) 0.0367(9) Uani 1 1 d . . .
H32A H 0.4514 0.3643 0.9387 0.044 Uiso 1 1 calc R . .
H32B H 0.4847 0.3935 0.8788 0.044 Uiso 1 1 calc R . .
C33A C 0.01062(19) 0.65998(19) 0.77197(15) 0.0254(8) Uani 1 1 d . . .
H33A H 0.0118 0.6842 0.7346 0.038 Uiso 1 1 calc R . .
H33B H 0.0175 0.7013 0.8111 0.038 Uiso 1 1 calc R . .
H33C H -0.0504 0.6164 0.7618 0.038 Uiso 1 1 calc R . .
C34A C -0.00364(19) 0.61785(18) 0.91002(14) 0.0197(7) Uani 1 1 d . . .
C35A C -0.09289(19) 0.57202(19) 0.91354(15) 0.0248(7) Uani 1 1 d . . .
H35A H -0.1163 0.5152 0.8952 0.030 Uiso 1 1 calc R . .
C36A C -0.1471(2) 0.6093(2) 0.94363(16) 0.0301(8) Uani 1 1 d . . .
H36A H -0.2071 0.5777 0.9464 0.036 Uiso 1 1 calc R . .
C37A C -0.1152(2) 0.6914(2) 0.96951(16) 0.0327(9) Uani 1 1 d . . .
H37A H -0.1533 0.7168 0.9894 0.039 Uiso 1 1 calc R . .
C38A C -0.0256(2) 0.7375(2) 0.96630(16) 0.0312(8) Uani 1 1 d . . .
H38A H -0.0019 0.7943 0.9849 0.037 Uiso 1 1 calc R . .
C39A C 0.0275(2) 0.7000(2) 0.93606(15) 0.0266(8) Uani 1 1 d . . .
H39A H 0.0874 0.7317 0.9331 0.032 Uiso 1 1 calc R . .
C40A C 0.00965(19) 0.46502(18) 0.85512(15) 0.0199(7) Uani 1 1 d . . .
C41A C -0.0574(2) 0.4313(2) 0.79378(16) 0.0294(8) Uani 1 1 d . . .
H41A H -0.0657 0.4643 0.7643 0.035 Uiso 1 1 calc R . .
C42A C -0.1121(2) 0.3506(2) 0.77506(17) 0.0344(9) Uani 1 1 d . . .
H42A H -0.1581 0.3285 0.7331 0.041 Uiso 1 1 calc R . .
C43A C -0.1003(2) 0.3023(2) 0.81704(17) 0.0316(8) Uani 1 1 d . . .
H43A H -0.1379 0.2468 0.8041 0.038 Uiso 1 1 calc R . .
C44A C -0.0337(2) 0.3344(2) 0.87801(17) 0.0287(8) Uani 1 1 d . . .
H44A H -0.0254 0.3010 0.9071 0.034 Uiso 1 1 calc R . .
C45A C 0.0210(2) 0.41536(18) 0.89673(15) 0.0218(7) Uani 1 1 d . . .
H45A H 0.0670 0.4372 0.9387 0.026 Uiso 1 1 calc R . .
C46A C 0.17432(19) 0.59722(17) 0.94925(14) 0.0187(7) Uani 1 1 d . . .
C47A C 0.1609(2) 0.59681(18) 1.01090(15) 0.0220(7) Uani 1 1 d . . .
H47A H 0.0978 0.5775 1.0147 0.026 Uiso 1 1 calc R . .
C48A C 0.2375(2) 0.62384(19) 1.06665(16) 0.0270(8) Uani 1 1 d . . .
H48A H 0.2271 0.6237 1.1085 0.032 Uiso 1 1 calc R . .
C49A C 0.3303(2) 0.65142(19) 1.06135(16) 0.0284(8) Uani 1 1 d . . .
H49A H 0.3836 0.6705 1.0995 0.034 Uiso 1 1 calc R . .
C50A C 0.3437(2) 0.65068(19) 1.00045(15) 0.0262(8) Uani 1 1 d . . .
H50A H 0.4070 0.6688 0.9969 0.031 Uiso 1 1 calc R . .
C51A C 0.2682(2) 0.62448(18) 0.94440(15) 0.0229(7) Uani 1 1 d . . .
H51A H 0.2793 0.6248 0.9027 0.028 Uiso 1 1 calc R . .
Pd2 Pd 0.673991(16) 0.865510(15) 0.701541(13) 0.02302(7) Uani 1 1 d . . .
P1B P 0.60134(5) 0.91268(5) 0.61902(4) 0.0240(2) Uani 1 1 d . . .
O1B O 0.81421(13) 0.92816(12) 0.69815(10) 0.0230(5) Uani 1 1 d . . .
N1B N 0.71726(16) 0.74003(16) 0.77271(13) 0.0271(7) Uani 1 1 d . . .
N2B N 0.83153(16) 0.85469(15) 0.80248(12) 0.0231(6) Uani 1 1 d . . .
C1B C 0.7415(2) 0.81612(19) 0.76625(16) 0.0254(8) Uani 1 1 d . . .
C2B C 0.80150(19) 0.72237(19) 0.80849(17) 0.0298(8) Uani 1 1 d . . .
H2BA H 0.8280 0.6930 0.7778 0.036 Uiso 1 1 calc R . .
H2BB H 0.7855 0.6907 0.8402 0.036 Uiso 1 1 calc R . .
C3B C 0.8691(2) 0.80587(19) 0.84290(17) 0.0316(8) Uani 1 1 d . . .
H3BA H 0.8669 0.8221 0.8888 0.038 Uiso 1 1 calc R . .
H3BB H 0.9357 0.8102 0.8429 0.038 Uiso 1 1 calc R . .
C4B C 0.6282(2) 0.67553(19) 0.73913(17) 0.0255(8) Uani 1 1 d . . .
C5B C 0.5613(2) 0.65719(19) 0.77515(17) 0.0291(8) Uani 1 1 d . . .
C6B C 0.4751(2) 0.5967(2) 0.7423(2) 0.0375(9) Uani 1 1 d . . .
H6BA H 0.4269 0.5844 0.7641 0.045 Uiso 1 1 calc R . .
C7B C 0.4580(2) 0.5541(2) 0.6784(2) 0.0405(10) Uani 1 1 d . . .
H7BA H 0.3988 0.5120 0.6571 0.049 Uiso 1 1 calc R . .
C8B C 0.5263(2) 0.5720(2) 0.64483(19) 0.0378(9) Uani 1 1 d . . .
H8BA H 0.5137 0.5420 0.6008 0.045 Uiso 1 1 calc R . .
C9B C 0.6130(2) 0.6334(2) 0.67522(18) 0.0292(8) Uani 1 1 d . . .
C10B C 0.5801(2) 0.7006(2) 0.84637(16) 0.0301(8) Uani 1 1 d . . .
H10B H 0.6326 0.7532 0.8562 0.036 Uiso 1 1 calc R . .
C11B C 0.6133(2) 0.6523(2) 0.89320(18) 0.0448(10) Uani 1 1 d . . .
H11D H 0.6693 0.6400 0.8844 0.067 Uiso 1 1 calc R . .
H11E H 0.5615 0.6018 0.8864 0.067 Uiso 1 1 calc R . .
H11F H 0.6304 0.6842 0.9388 0.067 Uiso 1 1 calc R . .
C12B C 0.4926(2) 0.7189(2) 0.85902(19) 0.0442(10) Uani 1 1 d . . .
H12D H 0.4716 0.7499 0.8290 0.066 Uiso 1 1 calc R . .
H12E H 0.5087 0.7505 0.9046 0.066 Uiso 1 1 calc R . .
H12F H 0.4410 0.6681 0.8517 0.066 Uiso 1 1 calc R . .
C13B C 0.6873(2) 0.6507(2) 0.63783(17) 0.0319(8) Uani 1 1 d . . .
H13B H 0.7428 0.6985 0.6662 0.038 Uiso 1 1 calc R . .
C14B C 0.7239(2) 0.5787(2) 0.62408(19) 0.0460(10) Uani 1 1 d . . .
H14D H 0.7494 0.5667 0.6657 0.069 Uiso 1 1 calc R . .
H14E H 0.7747 0.5923 0.6025 0.069 Uiso 1 1 calc R . .
H14F H 0.6711 0.5314 0.5953 0.069 Uiso 1 1 calc R . .
C15B C 0.6484(2) 0.6712(2) 0.57424(18) 0.0432(10) Uani 1 1 d . . .
H15D H 0.6255 0.7172 0.5839 0.065 Uiso 1 1 calc R . .
H15E H 0.5953 0.6245 0.5448 0.065 Uiso 1 1 calc R . .
H15F H 0.6993 0.6853 0.5529 0.065 Uiso 1 1 calc R . .
C16B C 0.8860(2) 0.93639(18) 0.80987(16) 0.0228(7) Uani 1 1 d . . .
C17B C 0.9519(2) 0.97853(19) 0.87020(15) 0.0249(7) Uani 1 1 d . . .
H17B H 0.9543 0.9542 0.9060 0.030 Uiso 1 1 calc R . .
C18B C 1.0135(2) 1.05453(19) 0.87929(15) 0.0246(7) Uani 1 1 d . . .
C19B C 1.0091(2) 1.08639(19) 0.82473(16) 0.0247(7) Uani 1 1 d . . .
H19B H 1.0522 1.1388 0.8303 0.030 Uiso 1 1 calc R . .
C20B C 0.94615(19) 1.04678(18) 0.76291(15) 0.0200(7) Uani 1 1 d . . .
C21B C 0.8779(2) 0.96926(18) 0.75448(15) 0.0213(7) Uani 1 1 d . . .
C22B C 1.0903(2) 1.0976(2) 0.94366(16) 0.0412(9) Uani 1 1 d . . .
H22D H 1.0813 1.0661 0.9760 0.062 Uiso 1 1 calc R . .
H22E H 1.0859 1.1512 0.9599 0.062 Uiso 1 1 calc R . .
H22F H 1.1534 1.1036 0.9368 0.062 Uiso 1 1 calc R . .
C23B C 0.95409(19) 1.08297(17) 0.70405(15) 0.0205(7) Uani 1 1 d . . .
C24B C 0.9792(2) 1.02779(19) 0.65291(15) 0.0256(8) Uani 1 1 d . . .
H24C H 0.9290 0.9740 0.6381 0.031 Uiso 1 1 calc R . .
H24D H 1.0405 1.0207 0.6734 0.031 Uiso 1 1 calc R . .
C25B C 1.0331(2) 1.16626(19) 0.72430(16) 0.0333(8) Uani 1 1 d . . .
H25C H 1.0183 1.2042 0.7569 0.040 Uiso 1 1 calc R . .
H25D H 1.0951 1.1608 0.7455 0.040 Uiso 1 1 calc R . .
C26B C 0.8601(2) 1.0951(2) 0.67042(16) 0.0283(8) Uani 1 1 d . . .
H26C H 0.8076 1.0427 0.6558 0.034 Uiso 1 1 calc R . .
H26D H 0.8438 1.1325 0.7025 0.034 Uiso 1 1 calc R . .
C27B C 0.9879(2) 1.0614(2) 0.59325(17) 0.0347(9) Uani 1 1 d . . .
H27B H 1.0040 1.0235 0.5607 0.042 Uiso 1 1 calc R . .
C28B C 1.0661(2) 1.1438(2) 0.61608(17) 0.0384(10) Uani 1 1 d . . .
H28C H 1.1282 1.1379 0.6365 0.046 Uiso 1 1 calc R . .
H28D H 1.0720 1.1663 0.5778 0.046 Uiso 1 1 calc R . .
C29B C 1.0416(2) 1.2007(2) 0.66547(17) 0.0346(9) Uani 1 1 d . . .
H29B H 1.0937 1.2542 0.6806 0.042 Uiso 1 1 calc R . .
C30B C 0.9470(2) 1.21196(19) 0.63294(17) 0.0355(9) Uani 1 1 d . . .
H30C H 0.9525 1.2340 0.5944 0.043 Uiso 1 1 calc R . .
H30D H 0.9311 1.2502 0.6646 0.043 Uiso 1 1 calc R . .
C31B C 0.8691(2) 1.1295(2) 0.61132(17) 0.0321(9) Uani 1 1 d . . .
H31B H 0.8067 1.1357 0.5902 0.039 Uiso 1 1 calc R . .
C32B C 0.8935(2) 1.0729(2) 0.56158(16) 0.0347(9) Uani 1 1 d . . .
H32C H 0.8992 1.0955 0.5234 0.042 Uiso 1 1 calc R . .
H32D H 0.8417 1.0200 0.5457 0.042 Uiso 1 1 calc R . .
C33B C 0.5444(2) 0.81514(19) 0.71508(17) 0.0313(8) Uani 1 1 d . . .
H33D H 0.5522 0.7878 0.7505 0.047 Uiso 1 1 calc R . .
H33E H 0.5016 0.7759 0.6743 0.047 Uiso 1 1 calc R . .
H33F H 0.5167 0.8575 0.7270 0.047 Uiso 1 1 calc R . .
C34B C 0.47237(19) 0.8668(2) 0.58163(15) 0.0249(8) Uani 1 1 d . . .
C35B C 0.4092(2) 0.9105(2) 0.57722(16) 0.0296(8) Uani 1 1 d . . .
H35B H 0.4322 0.9671 0.5964 0.036 Uiso 1 1 calc R . .
C36B C 0.3128(2) 0.8720(2) 0.54490(17) 0.0359(9) Uani 1 1 d . . .
H36B H 0.2702 0.9025 0.5426 0.043 Uiso 1 1 calc R . .
C37B C 0.2777(2) 0.7900(2) 0.51599(17) 0.0348(9) Uani 1 1 d . . .
H37B H 0.2116 0.7643 0.4934 0.042 Uiso 1 1 calc R . .
C38B C 0.3394(2) 0.7460(2) 0.52033(16) 0.0354(9) Uani 1 1 d . . .
H38B H 0.3159 0.6894 0.5009 0.042 Uiso 1 1 calc R . .
C39B C 0.4359(2) 0.7837(2) 0.55300(16) 0.0321(8) Uani 1 1 d . . .
H39B H 0.4778 0.7526 0.5559 0.039 Uiso 1 1 calc R . .
C40B C 0.61608(19) 1.01900(19) 0.64523(16) 0.0238(7) Uani 1 1 d . . .
C41B C 0.6172(2) 1.0485(2) 0.70977(18) 0.0361(9) Uani 1 1 d . . .
H41B H 0.6108 1.0129 0.7377 0.043 Uiso 1 1 calc R . .
C42B C 0.6276(2) 1.1289(2) 0.73405(18) 0.0406(9) Uani 1 1 d . . .
H42B H 0.6282 1.1481 0.7783 0.049 Uiso 1 1 calc R . .
C43B C 0.6370(2) 1.1812(2) 0.69380(19) 0.0375(9) Uani 1 1 d . . .
H43B H 0.6436 1.2363 0.7102 0.045 Uiso 1 1 calc R . .
C44B C 0.6368(2) 1.1532(2) 0.63010(19) 0.0344(9) Uani 1 1 d . . .
H44B H 0.6436 1.1892 0.6025 0.041 Uiso 1 1 calc R . .
C45B C 0.6268(2) 1.0733(2) 0.60581(18) 0.0321(9) Uani 1 1 d . . .
H45B H 0.6272 1.0549 0.5617 0.038 Uiso 1 1 calc R . .
C46B C 0.6436(2) 0.89735(18) 0.54638(16) 0.0243(8) Uani 1 1 d . . .
C47B C 0.7236(2) 0.87163(19) 0.54981(17) 0.0262(7) Uani 1 1 d . . .
H47B H 0.7580 0.8663 0.5904 0.031 Uiso 1 1 calc R . .
C48B C 0.7524(2) 0.85407(19) 0.49412(17) 0.0322(8) Uani 1 1 d . . .
H48B H 0.8064 0.8362 0.4967 0.039 Uiso 1 1 calc R . .
C49B C 0.7042(2) 0.8620(2) 0.43472(18) 0.0395(9) Uani 1 1 d . . .
H49B H 0.7252 0.8502 0.3968 0.047 Uiso 1 1 calc R . .
C50B C 0.6248(2) 0.8875(2) 0.43083(18) 0.0412(10) Uani 1 1 d . . .
H50B H 0.5910 0.8930 0.3901 0.049 Uiso 1 1 calc R . .
C51B C 0.5952(2) 0.9048(2) 0.48636(16) 0.0335(9) Uani 1 1 d . . .
H51B H 0.5407 0.9221 0.4834 0.040 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 C1A 2.009(3) . yes
Pd1 C33A 2.042(3) . yes
Pd1 O1A 2.1332(18) . yes
Pd1 P1A 2.2987(8) . yes
P1A C46A 1.826(3) . ?
P1A C34A 1.821(3) . ?
P1A C40A 1.811(3) . ?
O1A C21A 1.322(3) . ?
N1A C1A 1.336(3) . ?
N1A C4A 1.432(4) . ?
N1A C2A 1.478(3) . ?
N2A C1A 1.345(3) . ?
N2A C16A 1.411(3) . ?
N2A C3A 1.473(3) . ?
C2A C3A 1.508(4) . ?
C4A C9A 1.390(4) . ?
C4A C5A 1.417(4) . ?
C5A C6A 1.386(4) . ?
C5A C10A 1.505(4) . ?
C6A C7A 1.366(4) . ?
C7A C8A 1.384(4) . ?
C8A C9A 1.375(4) . ?
C9A C13A 1.526(4) . ?
C10A C11A 1.530(4) . ?
C10A C12A 1.545(4) . ?
C13A C15A 1.527(4) . ?
C13A C14A 1.533(4) . ?
C16A C17A 1.392(4) . ?
C16A C21A 1.419(4) . ?
C17A C18A 1.371(4) . ?
C18A C19A 1.397(4) . ?
C18A C22A 1.508(4) . ?
C19A C20A 1.383(4) . ?
C20A C21A 1.436(4) . ?
C20A C23A 1.534(4) . ?
C23A C24A 1.544(4) . ?
C23A C25A 1.540(4) . ?
C23A C26A 1.536(4) . ?
C24A C27A 1.530(4) . ?
C25A C29A 1.531(4) . ?
C26A C31A 1.532(4) . ?
C27A C32A 1.504(4) . ?
C27A C28A 1.541(4) . ?
C28A C29A 1.514(4) . ?
C29A C30A 1.533(4) . ?
C30A C31A 1.529(4) . ?
C31A C32A 1.524(4) . ?
C34A C39A 1.373(4) . ?
C34A C35A 1.400(4) . ?
C35A C36A 1.384(4) . ?
C36A C37A 1.371(4) . ?
C37A C38A 1.404(4) . ?
C38A C39A 1.374(4) . ?
C40A C45A 1.385(4) . ?
C40A C41A 1.389(4) . ?
C41A C42A 1.380(4) . ?
C42A C43A 1.373(4) . ?
C43A C44A 1.379(4) . ?
C44A C45A 1.384(4) . ?
C46A C47A 1.389(4) . ?
C46A C51A 1.405(4) . ?
C47A C48A 1.377(4) . ?
C48A C49A 1.394(4) . ?
C49A C50A 1.370(4) . ?
C50A C51A 1.372(4) . ?
Pd2 C1B 2.018(3) . yes
Pd2 C33B 2.031(3) . yes
Pd2 O1B 2.1352(18) . yes
Pd2 P1B 2.2952(8) . yes
P1B C40B 1.811(3) . ?
P1B C34B 1.825(3) . ?
P1B C46B 1.821(3) . ?
O1B C21B 1.311(3) . ?
N1B C1B 1.344(4) . ?
N1B C4B 1.444(4) . ?
N1B C2B 1.483(3) . ?
N2B C1B 1.330(3) . ?
N2B C16B 1.422(4) . ?
N2B C3B 1.472(3) . ?
C2B C3B 1.497(4) . ?
C4B C5B 1.411(4) . ?
C4B C9B 1.381(4) . ?
C5B C6B 1.383(4) . ?
C5B C10B 1.515(5) . ?
C6B C7B 1.378(5) . ?
C7B C8B 1.388(4) . ?
C8B C9B 1.387(4) . ?
C9B C13B 1.520(4) . ?
C10B C12B 1.517(4) . ?
C10B C11B 1.530(4) . ?
C13B C15B 1.518(4) . ?
C13B C14B 1.536(4) . ?
C16B C17B 1.385(4) . ?
C16B C21B 1.417(4) . ?
C17B C18B 1.368(4) . ?
C18B C19B 1.391(4) . ?
C18B C22B 1.511(4) . ?
C19B C20B 1.385(4) . ?
C20B C21B 1.432(4) . ?
C20B C23B 1.535(4) . ?
C23B C24B 1.524(4) . ?
C23B C26B 1.541(4) . ?
C23B C25B 1.544(4) . ?
C24B C27B 1.529(4) . ?
C25B C29B 1.519(4) . ?
C26B C31B 1.526(4) . ?
C27B C32B 1.529(4) . ?
C27B C28B 1.526(4) . ?
C28B C29B 1.512(5) . ?
C29B C30B 1.534(4) . ?
C30B C31B 1.525(4) . ?
C31B C32B 1.514(5) . ?
C34B C39B 1.394(4) . ?
C34B C35B 1.389(4) . ?
C35B C36B 1.386(4) . ?
C36B C37B 1.379(5) . ?
C37B C38B 1.375(4) . ?
C38B C39B 1.387(4) . ?
C40B C41B 1.390(4) . ?
C40B C45B 1.397(4) . ?
C41B C42B 1.385(4) . ?
C42B C43B 1.383(5) . ?
C43B C44B 1.373(5) . ?
C44B C45B 1.378(4) . ?
C46B C51B 1.388(4) . ?
C46B C47B 1.402(4) . ?
C47B C48B 1.377(4) . ?
C48B C49B 1.380(4) . ?
C49B C50B 1.389(4) . ?
C50B C51B 1.381(4) . ?
