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#$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $
#$Revision: 278324 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/18/2001856.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_2001856
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            'C23 H24 N2 O5 Pd'
_chemical_formula_weight         514.85
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.110(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.349(2)
_cell_length_b                   7.544(2)
_cell_length_c                   14.826(2)
_cell_volume                     2158.6(7)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.88
_exptl_crystal_density_diffrn    1.585
_exptl_crystal_density_meas      1.624
_exptl_crystal_F_000             1048
_cod_data_source_file            as0558.cif
_cod_data_source_block           as0558_structure_2_of_2
_cod_original_cell_volume        2158.6
_cod_original_formula_sum        'C23 H24 N2 O5 Pd1'
_cod_database_code               2001856
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x+1/2,y+1/2,-z+1/2
3 -x,-y,-z
4 x+1/2,-y+1/2,z+1/2
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pd(1) .826070(10) .33668(3) .07018(2)
O(1) .88360(10) .4330(3) .1827(2)
O(2) .7368(2) .3388(4) -.1902(2)
O(3) .73360(10) .5209(3) -.07320(10)
O(4) .7180(2) -.0140(3) .0320(2)
O(5) .65280(10) .2145(3) -.0193(2)
N(1) .73790(10) .4072(4) .1306(2)
N(2) .92130(10) .2822(4) .0276(2)
C(1) .9499(2) .3997(5) .1761(2)
C(2) 1.0006(2) .4325(6) .2455(3)
C(3) 1.0709(2) .3992(6) .2335(3)
C(4) 1.0926(2) .3416(6) .1532(3)
C(5) 1.0437(2) .3047(5) .0810(3)
C(6) .9724(2) .3274(4) .0942(2)
C(7) 1.0602(2) .2462(5) -.0056(3)
C(8) 1.0093(2) .2050(5) -.0691(3)
C(9) .9385(2) .2199(4) -.0510(2)
C(10) .7134(2) .5728(4) .1235(2)
C(11) .6593(2) .6305(5) .1722(3)
C(12) .6301(2) .5148(6) .2298(3)
C(13) .6540(2) .3428(6) .2366(3)
C(14) .7083(2) .2943(5) .1861(2)
C(15) .7724(2) .2263(4) -.0422(2)
C(16) .7133(2) .1277(4) -.0055(2)
C(17) .5926(2) .1287(7) .0142(4)
C(18) .5355(2) .2592(8) .0042(5)
C(19) .7458(2) .3647(4) -.1104(2)
C(20) .6985(2) .6535(5) -.1315(2)
C(21) .6225(3) .6316(8) -.1312(3)
C(22) .8834(2) .1668(5) -.1226(2)
C(23) .8178(2) .0917(5) -.0876(2)
H(1) .986(2) .478(6) .303(3)
H(2) 1.103(2) .428(6) .282(3)
H(3) 1.140(2) .327(6) .143(3)
H(4) 1.109(2) .237(5) -.019(2)
H(5) 1.020(2) .166(5) -.129(2)
H(6) .735(2) .651(4) .084(2)
H(7) .646(2) .747(5) .166(2)
H(8) .593(2) .544(6) .261(3)
H(9) .635(2) .249(6) .277(3)
H(10) .724(2) .175(5) .187(2)
H(11) .584(2) .014(7) -.024(3)
H(12) .605(2) .091(6) .076(3)
H(13) .551(2) .351(6) .043(3)
H(14) .521(3) .281(7) -.064(3)
H(15) .501(3) .203(8) .039(3)
H(16) .714(2) .650(5) -.187(3)
H(17) .707(2) .764(6) -.105(3)
H(18) .614(2) .655(6) -.074(3)
H(19) .592(2) .714(7) -.165(3)
H(20) .607(2) .519(7) -.163(3)
H(21) .874(2) .278(4) -.161(2)
H(22) .906(2) .078(5) -.161(3)
H(23) .829(2) -.006(5) -.047(2)
H(24) .790(2) .030(6) -.141(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Pd(1) O(1) 2.070(3)
Pd(1) N(1) 2.053(3)
Pd(1) N(2) 2.032(3)
Pd(1) C(15) 2.074(3)
N(1) C(10) 1.337(4)
N(1) C(14) 1.341(4)
N(2) C(6) 1.389(4)
N(2) C(9) 1.321(4)
O(1) C(1) 1.319(4)
O(2) C(19) 1.200(5)
O(3) C(19) 1.330(4)
O(3) C(20) 1.457(5)
O(4) C(16) 1.205(5)
O(5) C(16) 1.346(5)
O(5) C(17) 1.450(6)
C(1) C(2) 1.392(6)
C(1) C(6) 1.428(5)
C(2) C(3) 1.406(7)
C(3) C(4) 1.362(7)
C(4) C(5) 1.405(6)
C(5) C(6) 1.417(5)
C(5) C(7) 1.415(6)
C(7) C(8) 1.349(6)
C(8) C(9) 1.418(5)
C(9) C(22) 1.504(5)
C(10) C(11) 1.383(5)
C(15) C(16) 1.498(5)
C(13) C(14) 1.382(6)
C(12) C(13) 1.379(6)
C(11) C(12) 1.371(6)
C(15) C(19) 1.517(4)
C(17) C(18) 1.480(9)
C(20) C(21) 1.480(7)
C(15) C(23) 1.530(5)
C(22) C(23) 1.514(5)
