#------------------------------------------------------------------------------
#$Date: 2016-03-21 06:35:27 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178522 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/26/4062600.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_4062600
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om034319e
_journal_year                    2004
_chemical_formula_sum            'C24 H29 Cl N2 Pd'
_chemical_formula_weight         487.34
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 101.004(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   33.849(3)
_cell_length_b                   16.6102(16)
_cell_length_c                   16.6402(16)
_cell_measurement_temperature    150(2)
_cell_volume                     9183.8(15)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.410
_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      'C 2/c'
_cod_database_code               4062600
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.015439(6) 0.774931(15) 0.046089(15) 0.04144(9) Uani 1 1 d DU . .
Cl1 Cl -0.02328(2) 0.68960(5) -0.05173(6) 0.0528(2) Uani 1 1 d U A .
C1 C 0.07721(9) 0.78644(17) -0.10187(18) 0.0362(6) Uani 1 1 d U A .
N1 N 0.09133(7) 0.74273(15) -0.02704(14) 0.0358(5) Uani 1 1 d U . .
Pd2 Pd 0.217870(6) 0.028657(11) 0.233033(11) 0.02841(8) Uani 1 1 d DU . .
Cl2 Cl 0.27520(2) 0.07359(5) 0.32829(4) 0.04380(17) Uani 1 1 d U B .
N2 N 0.09505(7) 0.68566(15) 0.08984(15) 0.0367(5) Uani 1 1 d U . .
C2 C 0.06221(10) 0.7427(2) -0.17274(19) 0.0427(6) Uani 1 1 d U . .
N3 N 0.23080(7) 0.12434(13) 0.08107(13) 0.0316(4) Uani 1 1 d U . .
C3 C 0.05121(11) 0.7847(2) -0.2458(2) 0.0502(8) Uani 1 1 d U A .
H3 H 0.0429(13) 0.758(2) -0.297(3) 0.058(11) Uiso 1 1 d . . .
N4 N 0.26075(7) 0.01064(13) 0.08757(14) 0.0317(4) Uani 1 1 d U . .
C4 C 0.05489(11) 0.8674(2) -0.2494(2) 0.0540(8) Uani 1 1 d U . .
C5 C 0.06962(10) 0.9090(2) -0.1779(2) 0.0500(7) Uani 1 1 d U A .
H5 H 0.0748(15) 0.973(3) -0.176(3) 0.071(13) Uiso 1 1 d . . .
C6 C 0.08139(9) 0.86984(19) -0.10322(19) 0.0418(6) Uani 1 1 d U . .
C7 C 0.05699(14) 0.6530(2) -0.1709(3) 0.0549(9) Uani 1 1 d U A .
H7A H 0.0374(14) 0.637(3) -0.144(3) 0.065(13) Uiso 1 1 d . . .
H7B H 0.0452(17) 0.631(3) -0.222(4) 0.095(17) Uiso 1 1 d . . .
H7C H 0.0851(17) 0.628(3) -0.156(3) 0.084(15) Uiso 1 1 d . . .
C8 C 0.0431(2) 0.9093(4) -0.3324(4) 0.0811(16) Uani 1 1 d U A .
H8A H 0.025(2) 0.933(4) -0.326(4) 0.09(2) Uiso 1 1 d . . .
H8B H 0.059(3) 0.950(5) -0.337(6) 0.15(3) Uiso 1 1 d . . .
H8C H 0.024(3) 0.884(5) -0.385(6) 0.17(3) Uiso 1 1 d . . .
C9 C 0.09777(12) 0.9167(2) -0.0264(3) 0.0534(8) Uani 1 1 d U A .
H9A H 0.079(3) 0.908(5) 0.024(5) 0.15(3) Uiso 1 1 d . . .
H9B H 0.1001(19) 0.967(4) -0.035(4) 0.10(2) Uiso 1 1 d . . .
H9C H 0.118(2) 0.889(4) 0.013(4) 0.12(2) Uiso 1 1 d . . .
C10 C 0.07031(8) 0.73216(17) 0.03437(17) 0.0337(5) Uani 1 1 d U A .
C11 C 0.12840(9) 0.7039(2) -0.0096(2) 0.0424(6) Uani 1 1 d U A .
H11 H 0.1472(11) 0.710(2) -0.045(2) 0.042(9) Uiso 1 1 d . . .
C12 C 0.13071(9) 0.6681(2) 0.0634(2) 0.0432(7) Uani 1 1 d U A .
H12 H 0.1487(13) 0.641(3) 0.092(3) 0.059(12) Uiso 1 1 d . . .
C13 C 0.08463(8) 0.65505(17) 0.16381(17) 0.0337(5) Uani 1 1 d U A .
C14 C 0.06126(8) 0.58599(17) 0.15974(16) 0.0322(5) Uani 1 1 d U . .
C15 C 0.05167(9) 0.55831(19) 0.23276(18) 0.0356(5) Uani 1 1 d U A .
H15 H 0.0385(12) 0.512(2) 0.226(2) 0.045(10) Uiso 1 1 d . . .
C16 C 0.06504(9) 0.5965(2) 0.30733(18) 0.0395(6) Uani 1 1 d U . .
C17 C 0.08858(10) 0.6643(2) 0.30861(19) 0.0419(6) Uani 1 1 d U A .
H17 H 0.0986(13) 0.691(2) 0.357(3) 0.058(11) Uiso 1 1 d . . .
C18 C 0.09919(9) 0.69517(19) 0.23789(19) 0.0402(6) Uani 1 1 d U . .
C19 C 0.04780(10) 0.54246(19) 0.07942(19) 0.0390(6) Uani 1 1 d U A .
H19A H 0.0273(10) 0.572(2) 0.043(2) 0.035(8) Uiso 1 1 d . . .
H19B H 0.0719(15) 0.534(2) 0.047(3) 0.069(13) Uiso 1 1 d . . .
H19C H 0.0359(12) 0.490(2) 0.094(3) 0.052(10) Uiso 1 1 d . . .
C20 C 0.05586(13) 0.5624(3) 0.3857(2) 0.0538(9) Uani 1 1 d U A .
H20A H 0.0782(18) 0.525(3) 0.418(4) 0.086(16) Uiso 1 1 d . . .
H20B H 0.0490(15) 0.598(3) 0.419(3) 0.073(14) Uiso 1 1 d . . .
H20C H 0.0398(19) 0.515(4) 0.373(4) 0.096(18) Uiso 1 1 d . . .
C21 C 0.12578(14) 0.7682(3) 0.2411(3) 0.0599(10) Uani 1 1 d U A .
H21A H 0.1327(17) 0.795(3) 0.297(3) 0.085(16) Uiso 1 1 d . . .
H21B H 0.1153(14) 0.807(3) 0.203(3) 0.067(13) Uiso 1 1 d . . .
H21C H 0.149(2) 0.751(4) 0.243(4) 0.096(19) Uiso 1 1 d . . .
C22A C -0.03536(16) 0.8327(7) 0.0863(6) 0.0803(16) Uani 0.781(9) 1 d PDU A 1
H22A H -0.0329 0.7793 0.1071 0.096 Uiso 0.781(9) 1 calc PR A 1
H22B H -0.0604 0.8512 0.0564 0.096 Uiso 0.781(9) 1 calc PR A 1
C22B C -0.0367(4) 0.829(2) 0.0813(17) 0.077(3) Uani 0.219(9) 1 d PDU A 2
H22C H -0.0327 0.8557 0.0329 0.092 Uiso 0.219(9) 1 calc PR A 2
H22D H -0.0622 0.8060 0.0836 0.092 Uiso 0.219(9) 1 calc PR A 2
C23A C -0.00235(16) 0.8835(3) 0.0997(4) 0.0759(15) Uani 0.781(9) 1 d PDU A 1
H23A H -0.0050 0.9369 0.0788 0.091 Uiso 0.781(9) 1 calc PR A 1
C23B C -0.0054(6) 0.8239(12) 0.1485(9) 0.071(2) Uani 0.219(9) 1 d PDU A 2
H23B H -0.0097 0.7972 0.1966 0.086 Uiso 0.219(9) 1 calc PR A 2
C24A C 0.03452(19) 0.8576(6) 0.1433(5) 0.0678(14) Uani 0.781(9) 1 d PDU A 1
H24A H 0.0374 0.8043 0.1644 0.081 Uiso 0.781(9) 1 calc PR A 1
H24B H 0.0569 0.8931 0.1521 0.081 Uiso 0.781(9) 1 calc PR A 1
C24B C 0.0320(6) 0.857(2) 0.1465(18) 0.070(3) Uani 0.219(9) 1 d PDU A 2
H24C H 0.0365 0.8838 0.0986 0.084 Uiso 0.219(9) 1 calc PR A 2
H24D H 0.0531 0.8530 0.1930 0.084 Uiso 0.219(9) 1 calc PR A 2
C25 C 0.20631(8) 0.19270(16) 0.09342(16) 0.0317(5) Uani 1 1 d U B .
C26 C 0.16650(9) 0.19486(18) 0.05127(17) 0.0374(6) Uani 1 1 d U . .
C27 C 0.14456(10) 0.26458(19) 0.05652(19) 0.0411(6) Uani 1 1 d U B .
H27 H 0.1192(11) 0.2664(19) 0.029(2) 0.033(8) Uiso 1 1 d . . .
C28 C 0.16172(9) 0.33156(18) 0.10044(18) 0.0375(6) Uani 1 1 d U . .
C29 C 0.20120(9) 0.32651(16) 0.14264(17) 0.0341(5) Uani 1 1 d U B .
H29 H 0.2151(10) 0.370(2) 0.171(2) 0.033(8) Uiso 1 1 d . . .
C30 C 0.22415(8) 0.25723(16) 0.14043(15) 0.0308(5) Uani 1 1 d U . .
C31 C 0.14776(13) 0.1244(2) 0.0009(3) 0.0551(9) Uani 1 1 d U B .
H31A H 0.1609(13) 0.076(3) 0.005(3) 0.053(11) Uiso 1 1 d . . .
H31B H 0.144(3) 0.134(5) -0.051(6) 0.17(4) Uiso 1 1 d . . .
H31C H 0.121(3) 0.113(5) 0.003(5) 0.15(3) Uiso 1 1 d . . .
C32 C 0.13754(13) 0.4075(2) 0.1008(3) 0.0503(8) Uani 1 1 d U B .
H32A H 0.1496(12) 0.443(2) 0.147(3) 0.052(10) Uiso 1 1 d . . .
H32B H 0.1151(14) 0.398(3) 0.120(3) 0.065(13) Uiso 1 1 d . . .
H32C H 0.1383(18) 0.426(3) 0.047(4) 0.095(18) Uiso 1 1 d . . .
C33 C 0.26697(9) 0.2523(2) 0.1859(2) 0.0394(6) Uani 1 1 d U B .
H33A H 0.2703(10) 0.211(2) 0.217(2) 0.028(8) Uiso 1 1 d . . .
H33B H 0.289(2) 0.251(4) 0.150(4) 0.12(2) Uiso 1 1 d . . .
H33C H 0.2758(15) 0.301(3) 0.220(3) 0.073(13) Uiso 1 1 d . . .
C34 C 0.23801(8) 0.05735(15) 0.12815(15) 0.0289(5) Uani 1 1 d U B .
C35 C 0.24942(10) 0.11990(18) 0.01341(17) 0.0399(6) Uani 1 1 d U B .
H35 H 0.2487(8) 0.1627(18) -0.0205(18) 0.023(7) Uiso 1 1 d . . .
C36 C 0.26811(10) 0.04864(19) 0.01722(19) 0.0392(6) Uani 1 1 d U B .
H36 H 0.2799(11) 0.024(2) -0.020(2) 0.038(9) Uiso 1 1 d . . .
C37 C 0.27770(8) -0.06594(15) 0.11567(16) 0.0310(5) Uani 1 1 d U B .
C38 C 0.25526(9) -0.13593(17) 0.09323(18) 0.0373(6) Uani 1 1 d U . .
C39 C 0.27222(9) -0.20922(17) 0.12175(19) 0.0380(6) Uani 1 1 d U B .
H39 H 0.2575(10) -0.259(2) 0.109(2) 0.034(8) Uiso 1 1 d . . .
C40 C 0.31081(9) -0.21342(17) 0.16901(18) 0.0363(6) Uani 1 1 d U . .
C41 C 0.33259(9) -0.14296(17) 0.18751(18) 0.0361(6) Uani 1 1 d U B .
H41 H 0.3582(11) -0.147(2) 0.218(2) 0.038(9) Uiso 1 1 d . . .
C42 C 0.31663(8) -0.06768(16) 0.16161(17) 0.0329(5) Uani 1 1 d U . .
C43 C 0.21474(12) -0.1320(3) 0.0368(3) 0.0577(9) Uani 1 1 d U B .
H43A H 0.1956(18) -0.094(4) 0.050(4) 0.102(18) Uiso 1 1 d . . .
H43B H 0.2014(14) -0.178(3) 0.037(3) 0.067(13) Uiso 1 1 d . . .
H43C H 0.2201(18) -0.127(4) -0.020(4) 0.11(2) Uiso 1 1 d . . .
C44 C 0.32882(13) -0.2929(2) 0.1989(3) 0.0481(8) Uani 1 1 d U B .
H44A H 0.3448(15) -0.317(3) 0.161(3) 0.073(14) Uiso 1 1 d . . .
H44B H 0.312(2) -0.326(4) 0.208(4) 0.11(2) Uiso 1 1 d . . .
H44C H 0.3413(18) -0.288(3) 0.252(4) 0.090(18) Uiso 1 1 d . . .
C45 C 0.34034(10) 0.0082(2) 0.1828(2) 0.0423(6) Uani 1 1 d U B .
H45A H 0.3420(15) 0.039(3) 0.138(3) 0.079(15) Uiso 1 1 d . . .
H45C H 0.3283(12) 0.045(2) 0.223(2) 0.046(10) Uiso 1 1 d . . .
H45B H 0.3658(13) -0.001(2) 0.214(2) 0.049(10) Uiso 1 1 d . . .
C46A C 0.16452(14) -0.0331(3) 0.1795(3) 0.0453(11) Uani 0.747(8) 1 d PDU B 1
H46A H 0.1861 -0.0689 0.1771 0.054 Uiso 0.747(8) 1 calc PR B 1
H46B H 0.1462 -0.0192 0.1309 0.054 Uiso 0.747(8) 1 calc PR B 1
C46B C 0.1566(3) 0.0011(9) 0.1811(7) 0.042(2) Uani 0.253(8) 1 d PDU B 2
H46C H 0.1598 0.0580 0.1819 0.050 Uiso 0.253(8) 1 calc PR B 2
H46D H 0.1455 -0.0254 0.1314 0.050 Uiso 0.253(8) 1 calc PR B 2
C47A C 0.15968(12) -0.0006(3) 0.2551(2) 0.0424(10) Uani 0.747(8) 1 d PDU B 1
H47A H 0.1381 0.0353 0.2577 0.051 Uiso 0.747(8) 1 calc PR B 1
C47B C 0.1683(3) -0.0432(8) 0.2527(7) 0.044(2) Uani 0.253(8) 1 d PDU B 2
H47B H 0.1649 -0.1000 0.2510 0.052 Uiso 0.253(8) 1 calc PR B 2
C48A C 0.1865(2) -0.0212(5) 0.3255(3) 0.0431(15) Uani 0.747(8) 1 d PDU B 1
H48A H 0.2081 -0.0571 0.3226 0.052 Uiso 0.747(8) 1 calc PR B 1
H48B H 0.1835 0.0005 0.3767 0.052 Uiso 0.747(8) 1 calc PR B 1
C48B C 0.1846(6) -0.0067(17) 0.3262(6) 0.043(3) Uani 0.253(8) 1 d PDU B 2
H48C H 0.1882 0.0501 0.3288 0.052 Uiso 0.253(8) 1 calc PR B 2
H48D H 0.1924 -0.0384 0.3742 0.052 Uiso 0.253(8) 1 calc PR B 2
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 C10 2.032(3) . ?
Pd1 C24A 2.126(5) . ?
Pd1 C23B 2.126(8) . ?
Pd1 C24B 2.146(8) . ?
Pd1 C23A 2.149(5) . ?
Pd1 C22B 2.159(8) . ?
Pd1 C22A 2.183(5) . ?
Pd1 Cl1 2.3584(9) . ?
C1 C6 1.393(4) . ?
C1 C2 1.396(4) . ?
C1 N1 1.442(4) . ?
N1 C10 1.363(4) . ?
N1 C11 1.391(4) . ?
Pd2 C34 2.047(3) . ?
Pd2 C46A 2.119(4) . ?
Pd2 C47A 2.128(4) . ?
Pd2 C47B 2.135(7) . ?
Pd2 C46B 2.137(7) . ?
Pd2 C48B 2.164(7) . ?
Pd2 C48A 2.191(4) . ?
Pd2 Cl2 2.3793(8) . ?
N2 C10 1.362(3) . ?
N2 C12 1.392(4) . ?
N2 C13 1.436(4) . ?
C2 C3 1.390(5) . ?
C2 C7 1.500(5) . ?
N3 C34 1.356(3) . ?
N3 C35 1.393(3) . ?
N3 C25 1.443(3) . ?
C3 C4 1.382(5) . ?
N4 C34 1.360(3) . ?
N4 C36 1.394(4) . ?
N4 C37 1.437(3) . ?
C4 C5 1.383(5) . ?
C4 C8 1.530(5) . ?
C5 C6 1.392(5) . ?
C6 C9 1.509(5) . ?
C11 C12 1.340(5) . ?
C13 C14 1.388(4) . ?
C13 C18 1.405(4) . ?
C14 C15 1.394(4) . ?
C14 C19 1.511(4) . ?
C15 C16 1.390(4) . ?
C16 C17 1.378(5) . ?
C16 C20 1.508(4) . ?
C17 C18 1.392(5) . ?
C18 C21 1.505(5) . ?
C22A C23A 1.384(7) . ?
C22B C23B 1.388(9) . ?
C23A C24A 1.387(7) . ?
C23B C24B 1.387(9) . ?
C25 C30 1.395(4) . ?
C25 C26 1.396(4) . ?
C26 C27 1.387(4) . ?
C26 C31 1.507(4) . ?
C27 C28 1.396(4) . ?
C28 C29 1.388(4) . ?
C28 C32 1.505(4) . ?
C29 C30 1.393(4) . ?
C30 C33 1.504(4) . ?
C35 C36 1.338(4) . ?
C37 C42 1.392(4) . ?
C37 C38 1.400(4) . ?
C38 C39 1.390(4) . ?
C38 C43 1.509(5) . ?
C39 C40 1.392(4) . ?
C40 C41 1.386(4) . ?
C40 C44 1.498(4) . ?
C41 C42 1.397(4) . ?
C42 C45 1.499(4) . ?
C46A C47A 1.406(5) . ?
C46B C47B 1.392(8) . ?
C47A C48A 1.382(6) . ?
C47B C48B 1.384(8) . ?
