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#$Date: 2016-03-21 06:05:04 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178489 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/00/4060022.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_4060022
loop_
_publ_author_name
'Kohtaro Osakada'
'Hiroyuki Onodera'
'Yasushi Nishihara'
_publ_section_title
;
 Diarylpalladium Complexes with a Cis Structure. Formation via
 Transmetalation of Arylboronic Acids with an Aryliodopalladium Complex
 and Intramolecular Coupling of the Aryl Ligands, Affording
 Unsymmetrical Biaryls
;
_journal_name_full               Organometallics
_journal_page_first              190
_journal_page_last               192
_journal_paper_doi               10.1021/om049217i
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C19 H25 F3 N2 O Pd'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 100.229(6)
_cell_angle_gamma                90.0
_cell_length_a                   8.730(4)
_cell_length_b                   14.057(7)
_cell_length_c                   16.033(8)
_cell_volume                     1936.26
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               4060022
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_B_iso_or_equiv
Pd(1) 1.08651(3) 0.32061(2) 0.881220(10) 1.0 1.152(6)
F(1) 1.0580(2) 0.0932(2) 0.89601(13) 1.0 2.28(4)
F(2) 0.6244(3) 0.0672(2) 1.0294(1) 1.0 3.02(5)
F(3) 0.7890(2) 0.3686(1) 0.95735(13) 1.0 2.22(4)
O(1) 1.4683(4) 0.3355(2) 1.2466(2) 1.0 3.12(7)
N(1) 1.2469(3) 0.4158(2) 0.8341(2) 1.0 1.62(5)
N(2) 0.9655(4) 0.3215(2) 0.7502(2) 1.0 1.57(6)
C(1) 1.2010(4) 0.3228(2) 1.0009(2) 1.0 1.44(6)
C(2) 1.1846(4) 0.3983(3) 1.0544(2) 1.0 1.83(7)
C(3) 1.2706(4) 0.4060(3) 1.1361(2) 1.0 2.08(7)
C(4) 1.3772(4) 0.3355(3) 1.1670(2) 1.0 2.12(7)
C(5) 1.3948(4) 0.2578(3) 1.1155(2) 1.0 2.25(7)
C(6) 1.3074(4) 0.2515(3) 1.0339(2) 1.0 1.87(7)
C(7) 1.4268(5) 0.4014(4) 1.3068(2) 1.0 3.34(9)
C(8) 0.9343(4) 0.2364(2) 0.9254(2) 1.0 1.36(6)
C(9) 0.9415(4) 0.1372(2) 0.9282(2) 1.0 1.52(6)
C(10) 0.8400(4) 0.0785(2) 0.9618(2) 1.0 1.83(6)
C(11) 0.7250(4) 0.1216(3) 0.9945(2) 1.0 1.85(6)
C(12) 0.7047(4) 0.2196(3) 0.9935(2) 1.0 1.91(7)
C(13) 0.8110(4) 0.2716(2) 0.9582(2) 1.0 1.53(6)
C(14) 1.4068(5) 0.3818(4) 0.8513(4) 1.0 4.22(11)
C(15) 1.2425(6) 0.5113(3) 0.8715(3) 1.0 3.70(10)
C(16) 1.1919(5) 0.4218(4) 0.7418(2) 1.0 3.73(10)
C(17) 1.0445(9) 0.3925(7) 0.7101(4) 1.0 10.7(2)
C(18) 0.9724(9) 0.2299(4) 0.7110(3) 1.0 6.1(2)
C(19) 0.8022(7) 0.3474(6) 0.7416(3) 1.0 6.9(2)
