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#$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $
#$Revision: 278247 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/18/2001855.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2001855
loop_
_publ_author_name
'Yoneda, A.'
'Newkome, G. R.'
'Morimoto, Y.'
'Higuchi, Y.'
'Yasuoka, N.'
_publ_section_title
;Structures of {diethyl
 2-[(8-hydroxy-κO-2-quinolyl-κN)methyl]malonato(2--)-κC²}(pyridine)palladium(II)
 and the analogous ethyl complex
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              476
_journal_page_last               478
_journal_paper_doi               10.1107/S0108270192010801
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C22 H26 N2 O7 Pd'
_chemical_formula_weight         536.82
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                128.34(2)
_cell_angle_beta                 91.930(10)
_cell_angle_gamma                97.18(2)
_cell_formula_units_Z            2
_cell_length_a                   11.6740(10)
_cell_length_b                   11.740(3)
_cell_length_c                   10.863(3)
_cell_volume                     1146.7(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.84
_exptl_crystal_density_diffrn    1.555
_exptl_crystal_density_meas      1.441
_exptl_crystal_F_000             528
_cod_data_source_file            as0558.cif
_cod_data_source_block           as0558_structure_1_of_2
_cod_original_cell_volume        1146.7(8)
_cod_original_formula_sum        'C22 H26 N2 O7 Pd1'
_cod_database_code               2001855
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pd(1) .77346(2) .27025(2) .14394(3)
O(1) .9106(2) .1852(2) .1749(2)
O(2) .4889(2) .2475(3) .2125(3)
O(3) .4873(2) .1882(3) -.0265(3)
O(4) .6977(3) .5802(3) .1688(4)
O(5) .6227(2) .3574(3) -.0558(3)
N(1) .7644(2) .1413(3) -.0976(3)
N(2) .7881(2) .3876(3) .3723(3)
C(1) .9354(3) .2511(3) .3295(4)
C(2) 1.0197(3) .2207(4) .3932(4)
C(3) 1.0392(3) .2971(5) .5585(5)
C(4) .9769(3) .4023(4) .6614(4)
C(5) .8898(3) .4372(3) .6029(4)
C(6) .8712(3) .3600(3) .4378(3)
C(7) .8184(3) .5441(4) .6935(4)
C(8) .7377(3) .5700(4) .6238(4)
C(9) .7228(3) .4885(3) .4577(4)
C(10) .6871(3) .0147(4) -.1939(4)
C(11) .6811(4) -.0749(4) -.3558(4)
C(12) .7564(4) -.0348(5) -.4221(4)
C(13) .8370(4) .0933(6) -.3246(5)
C(14) .8394(3) .1797(5) -.1625(4)
C(15) .6360(3) .3852(3) .1821(4)
C(16) .6549(3) .4513(4) .0995(4)
C(17) .6399(4) .4136(5) -.1429(5)
C(18) .5808(4) .2952(6) -.3074(6)
C(19) .5307(3) .2684(4) .1256(4)
C(20) .3836(3) .0758(5) -.0858(5)
C(21) .3449(5) .0161(7) -.2506(7)
C(22) .6463(3) .5099(4) .3640(4)
O(101) .9031(3) .8788(3) .0109(3)
O(102) .8920(4) .7196(6) .1276(6)
H(1) 1.068(3) .149(4) .336(5)
H(2) 1.102(3) .271(4) .597(5)
H(3) .992(3) .457(4) .769(5)
H(4) .834(3) .598(4) .809(4)
H(5) .693(3) .640(4) .687(4)
H(6) .637(4) -.011(5) -.145(5)
H(7) .623(4) -.164(4) -.417(5)
H(8) .751(4) -.100(5) -.534(5)
H(9) .899(4) .123(5) -.353(5)
H(10) .899(3) .265(4) -.093(4)
H(11) .613(4) .519(5) -.086(5)
H(12) .722(3) .437(4) -.139(4)
H(13) .593(4) .332(5) -.369(5)
H(14) .601(4) .208(5) -.355(6)
H(15) .489(4) .269(5) -.309(6)
H(16) .399(4) .002(5) -.079(6)
H(17) .317(4) .131(5) -.011(5)
H(18) .400(5) -.001(7) -.312(7)
H(19) .270(5) -.054(6) -.291(6)
H(20) .332(5) .104(6) -.240(7)
H(21) .576(3) .517(4) .393(4)
H(22) .688(3) .605(4) .389(5)
H(101) .970(5) .860(6) .988(6)
H(102) .125(5) .041(6) .976(6)
H(103) .869(2) .822(3) .229(3)
H(104) .915(3) .620(4) .037(4)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Pd(1) O(1) 2.111(3)
Pd(1) N(1) 2.049(3)
Pd(1) N(2) 1.938(3)
Pd(1) C(15) 2.112(4)
N(1) C(10) 1.338(6)
N(1) C(14) 1.342(6)
N(2) C(6) 1.368(5)
N(2) C(9) 1.324(5)
O(1) C(1) 1.342(5)
O(2) C(19) 1.216(6)
O(3) C(19) 1.329(6)
O(3) C(20) 1.455(7)
O(4) C(16) 1.216(6)
O(5) C(16) 1.323(6)
O(5) C(17) 1.458(7)
C(1) C(2) 1.386(6)
C(1) C(6) 1.419(5)
C(2) C(3) 1.416(7)
C(3) C(4) 1.368(7)
C(4) C(5) 1.412(6)
C(5) C(6) 1.412(5)
C(5) C(7) 1.422(6)
C(7) C(8) 1.364(6)
C(8) C(9) 1.413(6)
C(9) C(22) 1.486(6)
C(10) C(11) 1.372(7)
C(15) C(16) 1.513(6)
C(13) C(14) 1.380(9)
C(12) C(13) 1.369(9)
C(11) C(12) 1.369(8)
C(15) C(19) 1.500(6)
C(17) C(18) 1.482(9)
C(20) C(21) 1.490(10)
C(15) C(22) 1.554(6)
