#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:29:17 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179113 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/75/4307588.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_4307588
loop_
_publ_author_name
'Samuel J. Mugavero'
'Mark D. Smith'
'Hans-Conrad zur Loye'
_publ_contact_author_address
;
Department of Chemistry and Biochemistry
University of South Carolina
Columbia, SC  29208
USA
;
_publ_contact_author_email       zurloye@sc.edu
_publ_contact_author_fax         '803 777 8508'
_publ_contact_author_name        'Professor Hans-Conrad zur Loye'
_publ_contact_author_phone       '803 777 6916'
_publ_section_title
;
Crystal Growth and Structural Characterization of the New Ordered
Palladates LnKPdO3 (Ln = La, Pr, Nd, Sm-Gd) and the Isostructural,
Partially Cu-Substituted Palladate PrK(Cu0.14Pd0.86)O3
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3116
_journal_page_last               3122
_journal_paper_doi               10.1021/ic062066m
_journal_volume                  46
_journal_year                    2007
_chemical_formula_moiety         'K O3 Pd Sm'
_chemical_formula_sum            'K O3 Pd Sm'
_chemical_formula_weight         343.85
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 104.684(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.1015(7)
_cell_length_b                   3.9281(2)
_cell_length_c                   7.3400(4)
_cell_measurement_reflns_used    662
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      29.138
_cell_measurement_theta_min      2.869
_cell_volume                     365.41(3)
_computing_cell_refinement       'SAINT+ NT V6.22 (Bruker, 2001)'
_computing_data_collection       'SMART NT V5.625 (Bruker, 1998)'
_computing_data_reduction        'SAINT+ NT V6.22'
_computing_molecular_graphics    'SHELXTL V6.1 (Sheldrick, 2000)'
_computing_publication_material  'SHELXTL V6.1'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART APEX CCD diffractometer'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0597
_diffrn_reflns_av_sigmaI/netI    0.0504
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            3420
_diffrn_reflns_theta_full        32.52
_diffrn_reflns_theta_max         32.52
_diffrn_reflns_theta_min         2.87
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    21.792
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.4776
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS, Bruker, 2001)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    6.250
_exptl_crystal_density_meas      6.25
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             604
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_refine_diff_density_max         3.159
_refine_diff_density_min         -2.252
_refine_diff_density_rms         0.456
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     37
_refine_ls_number_reflns         744
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0428
_refine_ls_R_factor_gt           0.0335
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0299P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0664
_refine_ls_wR_factor_ref         0.0697
_reflns_number_gt                638
_reflns_number_total             744
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic062066msi20061029_033056.cif
_cod_data_source_block           SmKPdO3
_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/m'
_cod_database_code               4307588
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, 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
Sm1 Sm 0.65042(3) 0.0000 0.07821(7) 0.00896(14) Uani 1 2 d S . .
Pd1 Pd 0.00683(5) 0.0000 0.77905(9) 0.00804(16) Uani 1 2 d S . .
K1 K 0.35682(17) 0.0000 0.4357(3) 0.0158(4) Uani 1 2 d S . .
O1 O 0.8305(5) 0.0000 0.1299(9) 0.0114(13) Uani 1 2 d S . .
O2 O 0.4943(5) 0.0000 0.1960(10) 0.0149(14) Uani 1 2 d S . .
O3 O 0.1525(5) 0.0000 0.2761(9) 0.0117(13) Uani 1 2 d S . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sm Sm -0.1638 3.4418 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Sm1 O2 134.6(2) . 5_655 ?
O1 Sm1 O2 150.5(2) . . ?
O2 Sm1 O2 74.8(3) 5_655 . ?
O1 Sm1 O3 92.64(17) . 3 ?
O2 Sm1 O3 112.84(15) 5_655 3 ?
O2 Sm1 O3 70.68(17) . 3 ?
O1 Sm1 O3 92.64(17) . 3_545 ?
O2 Sm1 O3 112.84(15) 5_655 3_545 ?
O2 Sm1 O3 70.68(17) . 3_545 ?
O3 Sm1 O3 107.3(3) 3 3_545 ?
O1 Sm1 O1 81.12(17) . 7_645 ?
O2 Sm1 O1 70.80(16) 5_655 7_645 ?
O2 Sm1 O1 115.90(16) . 7_645 ?
O3 Sm1 O1 173.4(2) 3 7_645 ?
O3 Sm1 O1 75.37(18) 3_545 7_645 ?
O1 Sm1 O1 81.12(17) . 7_655 ?
O2 Sm1 O1 70.80(16) 5_655 7_655 ?
O2 Sm1 O1 115.90(16) . 7_655 ?
O3 Sm1 O1 75.37(18) 3 7_655 ?
O3 Sm1 O1 173.4(2) 3_545 7_655 ?
O1 Sm1 O1 101.4(2) 7_645 7_655 ?
O1 Sm1 Pd1 121.18(11) . 3_544 ?
O2 Sm1 Pd1 38.252(16) 5_655 3_544 ?
O2 Sm1 Pd1 80.84(13) . 3_544 ?
O3 Sm1 Pd1 145.42(14) 3 3_544 ?
O3 Sm1 Pd1 80.16(12) 3_545 3_544 ?
O1 Sm1 Pd1 40.39(14) 7_645 3_544 ?
O1 Sm1 Pd1 101.15(12) 7_655 3_544 ?
O1 Sm1 Pd1 121.18(11) . 3_554 ?
O2 Sm1 Pd1 38.252(16) 5_655 3_554 ?
O2 Sm1 Pd1 80.84(13) . 3_554 ?
O3 Sm1 Pd1 80.16(12) 3 3_554 ?
O3 Sm1 Pd1 145.42(14) 3_545 3_554 ?
O1 Sm1 Pd1 101.15(12) 7_645 3_554 ?
O1 Sm1 Pd1 40.39(14) 7_655 3_554 ?
Pd1 Sm1 Pd1 76.234(17) 3_544 3_554 ?
O1 Sm1 Pd1 131.68(9) . 7_546 ?
O2 Sm1 Pd1 80.62(13) 5_655 7_546 ?
O2 Sm1 Pd1 37.867(15) . 7_546 ?
O3 Sm1 Pd1 102.10(14) 3 7_546 ?
O3 Sm1 Pd1 39.06(14) 3_545 7_546 ?
O1 Sm1 Pd1 83.80(13) 7_645 7_546 ?
O1 Sm1 Pd1 147.05(14) 7_655 7_546 ?
Pd1 Sm1 Pd1 62.04(2) 3_544 7_546 ?
Pd1 Sm1 Pd1 106.675(16) 3_554 7_546 ?
O1 Sm1 Pd1 131.68(9) . 7_556 ?
O2 Sm1 Pd1 80.62(13) 5_655 7_556 ?
O2 Sm1 Pd1 37.867(15) . 7_556 ?
O3 Sm1 Pd1 39.06(14) 3 7_556 ?
O3 Sm1 Pd1 102.10(14) 3_545 7_556 ?
O1 Sm1 Pd1 147.05(14) 7_645 7_556 ?
O1 Sm1 Pd1 83.80(13) 7_655 7_556 ?
Pd1 Sm1 Pd1 106.675(16) 3_544 7_556 ?
Pd1 Sm1 Pd1 62.04(2) 3_554 7_556 ?
Pd1 Sm1 Pd1 75.492(18) 7_546 7_556 ?
O1 Sm1 K1 96.94(16) . 5_656 ?
O2 Sm1 K1 128.41(17) 5_655 5_656 ?
O2 Sm1 K1 53.58(17) . 5_656 ?
O3 Sm1 K1 53.68(13) 3 5_656 ?
O3 Sm1 K1 53.68(13) 3_545 5_656 ?
O1 Sm1 K1 128.96(11) 7_645 5_656 ?
O1 Sm1 K1 128.96(11) 7_655 5_656 ?
Pd1 Sm1 K1 121.70(3) 3_544 5_656 ?
Pd1 Sm1 K1 121.70(3) 3_554 5_656 ?
Pd1 Sm1 K1 59.67(3) 7_546 5_656 ?
Pd1 Sm1 K1 59.67(3) 7_556 5_656 ?
O2 Pd1 O2 169.1(4) 7_556 7_546 ?
O2 Pd1 O3 89.3(2) 7_556 5_556 ?
O2 Pd1 O3 89.3(2) 7_546 5_556 ?
O2 Pd1 O1 90.1(2) 7_556 5_656 ?
O2 Pd1 O1 90.1(2) 7_546 5_656 ?
O3 Pd1 O1 172.9(3) 5_556 5_656 ?
O2 Pd1 Sm1 48.6(2) 7_556 3_456 ?
O2 Pd1 Sm1 124.6(2) 7_546 3_456 ?
O3 Pd1 Sm1 122.52(13) 5_556 3_456 ?
O1 Pd1 Sm1 52.82(11) 5_656 3_456 ?
O2 Pd1 Sm1 124.6(2) 7_556 3_446 ?
O2 Pd1 Sm1 48.6(2) 7_546 3_446 ?
O3 Pd1 Sm1 122.52(13) 5_556 3_446 ?
O1 Pd1 Sm1 52.82(11) 5_656 3_446 ?
Sm1 Pd1 Sm1 76.233(17) 3_456 3_446 ?
O2 Pd1 Sm1 124.0(2) 7_556 7_546 ?
O2 Pd1 Sm1 48.7(2) 7_546 7_546 ?
O3 Pd1 Sm1 49.45(11) 5_556 7_546 ?
O1 Pd1 Sm1 126.13(12) 5_656 7_546 ?
Sm1 Pd1 Sm1 117.96(2) 3_456 7_546 ?
Sm1 Pd1 Sm1 73.325(16) 3_446 7_546 ?
O2 Pd1 Sm1 48.7(2) 7_556 7_556 ?
O2 Pd1 Sm1 124.0(2) 7_546 7_556 ?
O3 Pd1 Sm1 49.45(11) 5_556 7_556 ?
O1 Pd1 Sm1 126.13(12) 5_656 7_556 ?
Sm1 Pd1 Sm1 73.325(16) 3_456 7_556 ?
Sm1 Pd1 Sm1 117.96(2) 3_446 7_556 ?
Sm1 Pd1 Sm1 75.492(18) 7_546 7_556 ?
O2 Pd1 K1 58.1(2) 7_556 7_556 ?
O2 Pd1 K1 130.7(2) 7_546 7_556 ?
O3 Pd1 K1 123.96(14) 5_556 7_556 ?
O1 Pd1 K1 61.12(14) 5_656 7_556 ?
Sm1 Pd1 K1 70.51(4) 3_456 7_556 ?
Sm1 Pd1 K1 113.50(4) 3_446 7_556 ?
Sm1 Pd1 K1 170.85(4) 7_546 7_556 ?
Sm1 Pd1 K1 105.13(2) 7_556 7_556 ?
O2 Pd1 K1 130.7(2) 7_556 7_546 ?
O2 Pd1 K1 58.1(2) 7_546 7_546 ?
O3 Pd1 K1 123.96(14) 5_556 7_546 ?
O1 Pd1 K1 61.12(14) 5_656 7_546 ?
Sm1 Pd1 K1 113.50(4) 3_456 7_546 ?
Sm1 Pd1 K1 70.51(3) 3_446 7_546 ?
Sm1 Pd1 K1 105.13(2) 7_546 7_546 ?
Sm1 Pd1 K1 170.85(4) 7_556 7_546 ?
K1 Pd1 K1 72.77(5) 7_556 7_546 ?
O2 Pd1 K1 128.9(2) 7_556 3_445 ?
O2 Pd1 K1 58.5(2) 7_546 3_445 ?
O3 Pd1 K1 58.57(14) 5_556 3_445 ?
O1 Pd1 K1 126.51(13) 5_656 3_445 ?
Sm1 Pd1 K1 176.07(4) 3_456 3_445 ?
Sm1 Pd1 K1 106.53(2) 3_446 3_445 ?
Sm1 Pd1 K1 65.80(4) 7_546 3_445 ?
Sm1 Pd1 K1 107.29(4) 7_556 3_445 ?
K1 Pd1 K1 105.67(4) 7_556 3_445 ?
K1 Pd1 K1 65.46(6) 7_546 3_445 ?
O2 Pd1 K1 58.5(2) 7_556 3_455 ?
O2 Pd1 K1 128.9(2) 7_546 3_455 ?
O3 Pd1 K1 58.57(14) 5_556 3_455 ?
O1 Pd1 K1 126.51(13) 5_656 3_455 ?
Sm1 Pd1 K1 106.53(2) 3_456 3_455 ?
Sm1 Pd1 K1 176.07(4) 3_446 3_455 ?
Sm1 Pd1 K1 107.29(4) 7_546 3_455 ?
Sm1 Pd1 K1 65.80(4) 7_556 3_455 ?
K1 Pd1 K1 65.46(6) 7_556 3_455 ?
K1 Pd1 K1 105.67(4) 7_546 3_455 ?
K1 Pd1 K1 70.57(4) 3_445 3_455 ?
O3 K1 O2 117.4(2) . . ?
O3 K1 O2 141.3(2) . 5_656 ?
O2 K1 O2 101.3(2) . 5_656 ?
O3 K1 O3 95.63(16) . 7_556 ?
O2 K1 O3 127.19(14) . 7_556 ?
O2 K1 O3 57.71(14) 5_656 7_556 ?
O3 K1 O3 95.63(16) . 7_546 ?
O2 K1 O3 127.19(14) . 7_546 ?
O2 K1 O3 57.71(14) 5_656 7_546 ?
O3 K1 O3 84.83(19) 7_556 7_546 ?
O3 K1 O1 75.59(17) . 3_445 ?
O2 K1 O1 59.51(15) . 3_445 ?
O2 K1 O1 129.22(13) 5_656 3_445 ?
O3 K1 O1 171.17(19) 7_556 3_445 ?
O3 K1 O1 94.92(13) 7_546 3_445 ?
O3 K1 O1 75.59(16) . 3_455 ?
O2 K1 O1 59.51(15) . 3_455 ?
O2 K1 O1 129.22(13) 5_656 3_455 ?
O3 K1 O1 94.92(13) 7_556 3_455 ?
O3 K1 O1 171.17(19) 7_546 3_455 ?
O1 K1 O1 83.96(17) 3_445 3_455 ?
O3 K1 Pd1 113.46(13) . 7_556 ?
O2 K1 Pd1 36.45(3) . 7_556 ?
O2 K1 Pd1 97.30(12) 5_656 7_556 ?
O3 K1 Pd1 94.17(11) 7_556 7_556 ?
O3 K1 Pd1 150.81(14) 7_546 7_556 ?
O1 K1 Pd1 90.33(12) 3_445 7_556 ?
O1 K1 Pd1 38.01(12) 3_455 7_556 ?
O3 K1 Pd1 113.46(13) . 7_546 ?
O2 K1 Pd1 36.45(3) . 7_546 ?
O2 K1 Pd1 97.30(12) 5_656 7_546 ?
O3 K1 Pd1 150.81(14) 7_556 7_546 ?
O3 K1 Pd1 94.17(11) 7_546 7_546 ?
O1 K1 Pd1 38.01(12) 3_445 7_546 ?
O1 K1 Pd1 90.33(12) 3_455 7_546 ?
Pd1 K1 Pd1 72.77(5) 7_556 7_546 ?
O3 K1 Pd1 131.34(11) . 3 ?
O2 K1 Pd1 97.00(13) . 3 ?
O2 K1 Pd1 35.38(2) 5_656 3 ?
O3 K1 Pd1 36.35(12) 7_556 3 ?
O3 K1 Pd1 88.50(11) 7_546 3 ?
O1 K1 Pd1 152.46(15) 3_445 3 ?
O1 K1 Pd1 96.54(9) 3_455 3 ?
Pd1 K1 Pd1 74.33(4) 7_556 3 ?
Pd1 K1 Pd1 114.54(6) 7_546 3 ?
O3 K1 Pd1 131.34(11) . 3_545 ?
O2 K1 Pd1 97.00(13) . 3_545 ?
O2 K1 Pd1 35.38(2) 5_656 3_545 ?
O3 K1 Pd1 88.50(11) 7_556 3_545 ?
O3 K1 Pd1 36.35(12) 7_546 3_545 ?
O1 K1 Pd1 96.54(9) 3_445 3_545 ?
O1 K1 Pd1 152.46(15) 3_455 3_545 ?
Pd1 K1 Pd1 114.54(6) 7_556 3_545 ?
Pd1 K1 Pd1 74.33(4) 7_546 3_545 ?
Pd1 K1 Pd1 70.57(4) 3 3_545 ?
O3 K1 Sm1 99.31(16) . 5_656 ?
O2 K1 Sm1 143.29(16) . 5_656 ?
O2 K1 Sm1 41.97(14) 5_656 5_656 ?
O3 K1 Sm1 42.44(9) 7_556 5_656 ?
O3 K1 Sm1 42.44(9) 7_546 5_656 ?
O1 K1 Sm1 137.02(10) 3_445 5_656 ?
O1 K1 Sm1 137.02(10) 3_455 5_656 ?
Pd1 K1 Sm1 128.76(5) 7_556 5_656 ?
Pd1 K1 Sm1 128.76(5) 7_546 5_656 ?
Pd1 K1 Sm1 54.53(3) 3 5_656 ?
Pd1 K1 Sm1 54.53(3) 3_545 5_656 ?
Pd1 O1 Sm1 171.0(3) 5_656 . ?
Pd1 O1 Sm1 86.79(18) 5_656 7_645 ?
Sm1 O1 Sm1 98.88(17) . 7_645 ?
Pd1 O1 Sm1 86.79(18) 5_656 7_655 ?
Sm1 O1 Sm1 98.88(17) . 7_655 ?
Sm1 O1 Sm1 101.3(2) 7_645 7_655 ?
Pd1 O1 K1 80.87(16) 5_656 3 ?
Sm1 O1 K1 92.45(19) . 3 ?
Sm1 O1 K1 165.2(2) 7_645 3 ?
Sm1 O1 K1 86.11(5) 7_655 3 ?
Pd1 O1 K1 80.87(16) 5_656 3_545 ?
Sm1 O1 K1 92.45(19) . 3_545 ?
Sm1 O1 K1 86.11(5) 7_645 3_545 ?
Sm1 O1 K1 165.2(2) 7_655 3_545 ?
K1 O1 K1 83.96(17) 3 3_545 ?
Pd1 O2 Pd1 169.1(4) 7_556 7_546 ?
Pd1 O2 Sm1 93.2(2) 7_556 5_655 ?
Pd1 O2 Sm1 93.2(2) 7_546 5_655 ?
Pd1 O2 Sm1 93.4(2) 7_556 . ?
Pd1 O2 Sm1 93.4(2) 7_546 . ?
Sm1 O2 Sm1 105.2(3) 5_655 . ?
Pd1 O2 K1 85.5(2) 7_556 . ?
Pd1 O2 K1 85.5(2) 7_546 . ?
Sm1 O2 K1 91.7(2) 5_655 . ?
Sm1 O2 K1 163.1(3) . . ?
Pd1 O2 K1 86.1(2) 7_556 5_656 ?
Pd1 O2 K1 86.1(2) 7_546 5_656 ?
Sm1 O2 K1 170.4(3) 5_655 5_656 ?
Sm1 O2 K1 84.4(2) . 5_656 ?
K1 O2 K1 78.7(2) . 5_656 ?
Pd1 O3 Sm1 91.48(17) 5_556 3_445 ?
Pd1 O3 Sm1 91.48(17) 5_556 3_455 ?
Sm1 O3 Sm1 107.3(3) 3_445 3_455 ?
Pd1 O3 K1 165.7(3) 5_556 . ?
Sm1 O3 K1 96.96(18) 3_445 . ?
Sm1 O3 K1 96.96(18) 3_455 . ?
Pd1 O3 K1 85.09(19) 5_556 7_556 ?
Sm1 O3 K1 168.4(2) 3_445 7_556 ?
Sm1 O3 K1 83.87(5) 3_455 7_556 ?
K1 O3 K1 84.37(16) . 7_556 ?
Pd1 O3 K1 85.09(19) 5_556 7_546 ?
Sm1 O3 K1 83.87(5) 3_445 7_546 ?
Sm1 O3 K1 168.4(2) 3_455 7_546 ?
K1 O3 K1 84.37(16) . 7_546 ?
K1 O3 K1 84.83(19) 7_556 7_546 ?
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
Sm1 O1 2.293(6) . ?
Sm1 O2 2.390(7) 5_655 ?
Sm1 O2 2.414(7) . ?
Sm1 O3 2.439(4) 3 ?
Sm1 O3 2.439(4) 3_545 ?
Sm1 O1 2.539(4) 7_645 ?
Sm1 O1 2.539(4) 7_655 ?
Sm1 Pd1 3.1819(6) 3_544 ?
Sm1 Pd1 3.1819(6) 3_554 ?
Sm1 Pd1 3.2084(6) 7_546 ?
Sm1 Pd1 3.2084(6) 7_556 ?
Sm1 K1 3.593(2) 5_656 ?
Pd1 O2 1.9730(7) 7_556 ?
Pd1 O2 1.9730(7) 7_546 ?
Pd1 O3 2.023(6) 5_556 ?
Pd1 O1 2.065(6) 5_656 ?
Pd1 Sm1 3.1819(6) 3_456 ?
Pd1 Sm1 3.1819(6) 3_446 ?
Pd1 Sm1 3.2084(6) 7_546 ?
Pd1 Sm1 3.2084(6) 7_556 ?
Pd1 K1 3.3107(19) 7_556 ?
Pd1 K1 3.3107(18) 7_546 ?
Pd1 K1 3.4001(18) 3_445 ?
Pd1 K1 3.4001(18) 3_455 ?
K1 O3 2.636(6) . ?
K1 O2 2.819(8) . ?
K1 O2 2.905(7) 5_656 ?
K1 O3 2.912(5) 7_556 ?
K1 O3 2.912(5) 7_546 ?
K1 O1 2.936(5) 3_445 ?
K1 O1 2.936(5) 3_455 ?
K1 Pd1 3.3107(18) 7_556 ?
K1 Pd1 3.3107(18) 7_546 ?
K1 Pd1 3.4000(18) 3 ?
K1 Pd1 3.4000(18) 3_545 ?
K1 Sm1 3.593(2) 5_656 ?
O1 Pd1 2.065(6) 5_656 ?
O1 Sm1 2.539(4) 7_645 ?
O1 Sm1 2.539(4) 7_655 ?
O1 K1 2.936(5) 3 ?
O1 K1 2.936(5) 3_545 ?
O2 Pd1 1.9730(7) 7_556 ?
O2 Pd1 1.9730(7) 7_546 ?
O2 Sm1 2.390(7) 5_655 ?
O2 K1 2.905(7) 5_656 ?
O3 Pd1 2.023(6) 5_556 ?
O3 Sm1 2.439(4) 3_445 ?
O3 Sm1 2.439(4) 3_455 ?
O3 K1 2.912(5) 7_556 ?
O3 K1 2.912(5) 7_546 ?
