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#$Date: 2025-04-05 06:25:16 +0300 (Sat, 05 Apr 2025) $
#$Revision: 298949 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/75/7717567.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_7717567
loop_
_publ_author_name
'Pantelis, Konstantinos N.'
'Raptopoulou, Catherine P.'
'Psycharis, Vassilis'
'Tang, Jinkui'
'Stamatatos, Theocharis C.'
_publ_section_title
;
 Square planar Pd(II)/oximate complexes as 'metalloligands' for the
 directional assembly of 4f-metal ions: a new family of {Ln₂Pd}
 (Ln = lanthanide) clusters exhibiting slow magnetization relaxation.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              977
_journal_page_last               988
_journal_paper_doi               10.1039/d4dt02691h
_journal_volume                  54
_journal_year                    2025
_chemical_formula_sum            'C62 H62 Dy2 N26 O32 Pd5'
_chemical_formula_weight         2540.37
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2024-11-20 deposited with the CCDC.	2024-11-25 downloaded from the CCDC.
;
_cell_angle_alpha                91.8070(10)
_cell_angle_beta                 96.2130(10)
_cell_angle_gamma                98.6180(10)
_cell_formula_units_Z            1
_cell_length_a                   12.1673(2)
_cell_length_b                   12.7713(2)
_cell_length_c                   13.0477(2)
_cell_measurement_reflns_used    45074
_cell_measurement_temperature    160(2)
_cell_measurement_theta_max      27.46
_cell_measurement_theta_min      3.12
_cell_volume                     1990.49(5)
_computing_cell_refinement       'CrystalClear, Rigaku MSC, 2005'
_computing_data_collection       'CrystalClear, Rigaku MSC, 2005'
_computing_data_reduction        'CrystalClear, Rigaku MSC, 2005'
_computing_molecular_graphics    'Diamond ver.3.2'
_computing_publication_material  'publCIF J.Appl.Cryst. 2010, 43, 920'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/6 (Sheldrick, 2014)'
_diffrn_ambient_temperature      160(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku R-AXIS SPIDER IPDS'
_diffrn_measurement_method       'θ scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0196
_diffrn_reflns_av_unetI/netI     0.0140
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            45752
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.000
_diffrn_reflns_theta_min         3.114
_exptl_absorpt_coefficient_mu    3.060
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.655
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'CrystalClear, Rigaku MSC, 2005'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    2.119
_exptl_crystal_description       Parallelepiped
_exptl_crystal_F_000             1234
_exptl_crystal_size_max          0.410
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.140
_refine_diff_density_max         1.420
_refine_diff_density_min         -0.671
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.168
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     810
_refine_ls_number_reflns         8668
_refine_ls_number_restraints     1966
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0256
_refine_ls_R_factor_gt           0.0231
_refine_ls_shift/su_max          0.024
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0173P)²+2.7355P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0496
_refine_ls_wR_factor_ref         0.0502
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8109
_reflns_number_total             8668
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt02691h2.cif
_cod_data_source_block           shelx_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7717566--7717570.cif.'
_cod_database_code               7717567
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.367
_shelx_estimated_absorpt_t_max   0.674
_shelxl_version_number           2014/6
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.16815(2) 0.33105(2) 0.30326(2) 0.02647(4) Uani 1 1 d . U . . .
Pd1 Pd 0.0000 0.0000 0.5000 0.01922(6) Uani 1 2 d S U P . .
O1A O 0.088(2) 0.191(2) 0.388(2) 0.036(3) Uani 0.705(5) 1 d . U P A 1
N1A N 0.0302(3) 0.1554(3) 0.4643(3) 0.0275(8) Uani 0.705(5) 1 d . U P A 1
N2A N -0.0872(3) 0.0677(4) 0.6020(3) 0.0236(8) Uani 0.705(5) 1 d . U P A 1
C1A C -0.0139(4) 0.2207(4) 0.5204(4) 0.0286(9) Uani 0.705(5) 1 d . U P A 1
H1A H -0.0026 0.2950 0.5117 0.034 Uiso 0.705(5) 1 calc R U P A 1
C2A C -0.0805(4) 0.1738(5) 0.5961(3) 0.0247(9) Uani 0.705(5) 1 d . U P A 1
C3A C -0.1377(5) 0.2324(5) 0.6586(4) 0.0318(11) Uani 0.705(5) 1 d . U P A 1
H3A H -0.1318 0.3071 0.6541 0.038 Uiso 0.705(5) 1 calc R U P A 1
C4A C -0.2030(5) 0.1802(6) 0.7271(4) 0.0347(12) Uani 0.705(5) 1 d . U P A 1
H4A H -0.2437 0.2183 0.7694 0.042 Uiso 0.705(5) 1 calc R U P A 1
C5A C -0.2083(4) 0.0717(4) 0.7333(3) 0.0335(10) Uani 0.705(5) 1 d . U P A 1
H5A H -0.2519 0.0348 0.7808 0.040 Uiso 0.705(5) 1 calc R U P A 1
C6A C -0.1494(4) 0.0168(5) 0.6696(3) 0.0288(10) Uani 0.705(5) 1 d . U P A 1
H6A H -0.1532 -0.0577 0.6740 0.035 Uiso 0.705(5) 1 calc R U P A 1
O1B O -0.095(5) -0.196(4) 0.600(5) 0.028(5) Uani 0.295(5) 1 d . U P A 2
N1B N -0.0872(6) -0.0912(6) 0.5987(5) 0.0197(17) Uani 0.295(5) 1 d . U P A 2
N2B N -0.0662(7) 0.1147(9) 0.5751(7) 0.0191(18) Uani 0.295(5) 1 d . U P A 2
C1B C -0.1445(8) -0.0386(9) 0.6558(8) 0.023(2) Uiso 0.295(5) 1 d . U P A 2
H1B H -0.1914 -0.0733 0.7021 0.028 Uiso 0.295(5) 1 calc R U P A 2
C2B C -0.1333(10) 0.0723(10) 0.6455(9) 0.0221(19) Uani 0.295(5) 1 d . U P A 2
C3B C -0.1880(10) 0.1381(11) 0.7042(10) 0.026(2) Uani 0.295(5) 1 d . U P A 2
H3B H -0.2353 0.1090 0.7528 0.031 Uiso 0.295(5) 1 calc R U P A 2
C4B C -0.1716(12) 0.2473(10) 0.6899(11) 0.030(3) Uani 0.295(5) 1 d . U P A 2
H4B H -0.2085 0.2932 0.7282 0.036 Uiso 0.295(5) 1 calc R U P A 2
C5B C -0.1008(9) 0.2878(8) 0.6190(8) 0.029(2) Uani 0.295(5) 1 d . U P A 2
H5B H -0.0863 0.3618 0.6096 0.035 Uiso 0.295(5) 1 calc R U P A 2
C6B C -0.0515(10) 0.2169(9) 0.5620(10) 0.022(2) Uani 0.295(5) 1 d . U P A 2
H6B H -0.0054 0.2439 0.5116 0.027 Uiso 0.295(5) 1 calc R U P A 2
N3 N -0.0527(3) 0.3891(3) 0.2951(3) 0.0543(8) Uani 1 1 d . U . . .
O2 O 0.0184(3) 0.4114(2) 0.3742(2) 0.0614(8) Uani 1 1 d . U . . .
O3 O -0.0198(2) 0.3429(2) 0.2203(2) 0.0547(7) Uani 1 1 d . U . . .
O4 O -0.1466(3) 0.4122(3) 0.2908(3) 0.0846(11) Uani 1 1 d . U . . .
N4 N 0.2148(2) 0.5122(2) 0.1776(2) 0.0345(6) Uani 1 1 d . U . . .
O5 O 0.1903(2) 0.41924(19) 0.13790(17) 0.0445(6) Uani 1 1 d . U . . .
O6 O 0.2098(2) 0.52140(17) 0.27435(18) 0.0436(6) Uani 1 1 d . U . . .
O7 O 0.2418(2) 0.5879(2) 0.1268(2) 0.0516(7) Uani 1 1 d . U . . .
N5 N 0.3974(2) 0.2920(2) 0.3303(2) 0.0373(6) Uani 1 1 d . U . . .
O8 O 0.3642(2) 0.3634(2) 0.2741(2) 0.0486(6) Uani 1 1 d . U . . .
O9 O 0.3215(2) 0.22579(17) 0.35940(19) 0.0407(5) Uani 1 1 d . U . . .
O10 O 0.4967(2) 0.2889(2) 0.3535(2) 0.0597(7) Uani 1 1 d . U . . .
O1M O 0.2495(2) 0.40142(18) 0.46643(17) 0.0461(6) Uani 1 1 d . U . . .
H1MO H 0.2483 0.3601 0.5153 0.055 Uiso 1 1 calc R U . . .
C1M C 0.2902(6) 0.5065(3) 0.5059(3) 0.0889(19) Uani 1 1 d . U . . .
H1MA H 0.3243 0.5477 0.4521 0.107 Uiso 1 1 calc R U . . .
H1MB H 0.3464 0.5050 0.5653 0.107 Uiso 1 1 calc R U . . .
H1MC H 0.2281 0.5395 0.5273 0.107 Uiso 1 1 calc R U . . .
O1W O 0.13537(19) 0.19605(17) 0.17929(17) 0.0330(5) Uani 1 1 d D U . . .
HWA H 0.179(2) 0.174(3) 0.145(2) 0.040 Uiso 1 1 d D U . . .
HWB H 0.0711(17) 0.162(3) 0.169(3) 0.040 Uiso 1 1 d D U . . .
Pd3 Pd -0.40248(2) -0.10833(2) 0.11120(2) 0.02373(5) Uani 1 1 d . U . . .
O31 O -0.5448(2) -0.1041(2) 0.28111(19) 0.0449(6) Uani 1 1 d D U . . .
N31 N -0.4927(2) -0.0503(2) 0.2158(2) 0.0331(5) Uani 1 1 d D U . . .
N32 N -0.3781(2) 0.04765(18) 0.07998(18) 0.0278(5) Uani 1 1 d D U . . .
C31 C -0.4961(3) 0.0517(2) 0.2107(2) 0.0350(7) Uani 1 1 d D U . . .
H31 H -0.5391 0.0868 0.2535 0.042 Uiso 1 1 calc R U . . .
C32 C -0.4325(2) 0.1079(2) 0.1381(2) 0.0297(6) Uani 1 1 d D U . . .
C33 C -0.4221(3) 0.2169(2) 0.1273(3) 0.0397(7) Uani 1 1 d D U . . .
H33 H -0.4600 0.2592 0.1683 0.048 Uiso 1 1 calc R U . . .
C34 C -0.3559(3) 0.2627(3) 0.0563(3) 0.0432(8) Uani 1 1 d D U . . .
H34 H -0.3479 0.3370 0.0481 0.052 Uiso 1 1 calc R U . . .
C35 C -0.3018(3) 0.2004(3) -0.0023(3) 0.0387(7) Uani 1 1 d D U . . .
H35 H -0.2563 0.2310 -0.0517 0.046 Uiso 1 1 calc R U . . .
C36 C -0.3142(3) 0.0923(2) 0.0113(2) 0.0333(6) Uani 1 1 d D U . . .
H36 H -0.2764 0.0491 -0.0290 0.040 Uiso 1 1 calc R U . . .
O41 O -0.2686(2) -0.1145(2) -0.06805(19) 0.0475(6) Uani 1 1 d D U . . .
N41 N -0.3185(2) -0.1684(2) 0.0008(2) 0.0355(6) Uani 1 1 d D U . . .
N42 N -0.4268(2) -0.26461(19) 0.1419(2) 0.0308(5) Uani 1 1 d D U . . .
C41 C -0.3211(3) -0.2710(3) 0.0017(3) 0.0401(7) Uani 1 1 d D U . . .
H41 H -0.2863 -0.3076 -0.0471 0.048 Uiso 1 1 calc R U . . .
C42 C -0.3784(3) -0.3261(2) 0.0789(3) 0.0361(7) Uani 1 1 d D U . . .
C43 C -0.3853(4) -0.4344(3) 0.0911(3) 0.0546(10) Uani 1 1 d D U . . .
H43 H -0.3521 -0.4773 0.0463 0.066 Uiso 1 1 calc R U . . .
C44 C -0.4414(4) -0.4786(3) 0.1699(4) 0.0637(12) Uani 1 1 d D U . . .
H44 H -0.4461 -0.5523 0.1805 0.076 Uiso 1 1 calc R U . . .
C45 C -0.4901(3) -0.4157(3) 0.2325(3) 0.0507(9) Uani 1 1 d D U . . .
H45 H -0.5293 -0.4456 0.2863 0.061 Uiso 1 1 calc R U . . .
C46 C -0.4820(3) -0.3083(3) 0.2169(3) 0.0376(7) Uani 1 1 d D U . . .
H46 H -0.5164 -0.2649 0.2602 0.045 Uiso 1 1 calc R U . . .
Pd2 Pd -0.16787(2) -0.10600(2) 0.26173(2) 0.02952(6) Uani 1 1 d . U . . .
O11A O -0.2426(6) -0.2962(4) 0.3663(5) 0.0460(13) Uani 0.544(4) 1 d D U P B 1
N11A N -0.2442(4) -0.1952(4) 0.3585(4) 0.0366(12) Uani 0.544(4) 1 d D U P B 1
N12A N -0.2303(7) 0.0096(6) 0.3336(6) 0.0296(15) Uani 0.544(4) 1 d D U P B 1
C11A C -0.2984(5) -0.1436(5) 0.4183(4) 0.0384(14) Uani 0.544(4) 1 d D U P B 1
H11A H -0.3399 -0.1789 0.4681 0.046 Uiso 0.544(4) 1 calc R U P B 1
C12A C -0.2935(10) -0.0307(7) 0.4068(8) 0.0332(19) Uani 0.544(4) 1 d D U P B 1
C13A C -0.3463(14) 0.0357(10) 0.4661(11) 0.041(2) Uani 0.544(4) 1 d D U P B 1
H13A H -0.3906 0.0078 0.5174 0.050 Uiso 0.544(4) 1 calc R U P B 1
C14A C -0.3326(17) 0.1430(10) 0.4484(15) 0.041(3) Uani 0.544(4) 1 d D U P B 1
H14A H -0.3674 0.1895 0.4881 0.049 Uiso 0.544(4) 1 calc R U P B 1
C15A C -0.2690(15) 0.1820(9) 0.3739(13) 0.037(2) Uani 0.544(4) 1 d D U P B 1
H15A H -0.2601 0.2553 0.3607 0.044 Uiso 0.544(4) 1 calc R U P B 1
C16A C -0.2177(11) 0.1132(7) 0.3179(10) 0.033(2) Uani 0.544(4) 1 d D U P B 1
H16A H -0.1724 0.1405 0.2670 0.039 Uiso 0.544(4) 1 calc R U P B 1
O21A O -0.0690(11) 0.0896(6) 0.1559(9) 0.041(2) Uani 0.544(4) 1 d D U P B 1
N21A N -0.0770(4) -0.0128(5) 0.1580(4) 0.0339(11) Uani 0.544(4) 1 d D U P B 1
N22A N -0.100(3) -0.2190(10) 0.178(2) 0.031(2) Uani 0.544(4) 1 d D U P B 1
C21A C -0.0253(6) -0.0657(5) 0.0971(5) 0.0384(13) Uani 0.544(4) 1 d D U P B 1
H21A H 0.0206 -0.0302 0.0505 0.046 Uiso 0.544(4) 1 calc R U P B 1
C22A C -0.039(5) -0.1782(12) 0.101(3) 0.0339(14) Uani 0.544(4) 1 d D U P B 1
C23A C 0.010(4) -0.2434(18) 0.039(3) 0.040(4) Uani 0.544(4) 1 d D U P B 1
H23A H 0.0573 -0.2139 -0.0096 0.047 Uiso 0.544(4) 1 calc R U P B 1
C24A C -0.012(2) -0.3524(16) 0.0475(16) 0.038(3) Uani 0.544(4) 1 d D U P B 1
H24A H 0.0151 -0.3988 0.0011 0.046 Uiso 0.544(4) 1 calc R U P B 1
C25A C -0.0724(19) -0.3922(14) 0.1238(14) 0.042(3) Uani 0.544(4) 1 d D U P B 1
H25A H -0.0840 -0.4662 0.1338 0.051 Uiso 0.544(4) 1 calc R U P B 1
C26A C -0.1164(16) -0.3238(10) 0.1858(12) 0.033(3) Uani 0.544(4) 1 d D U P B 1
H26A H -0.1609 -0.3527 0.2367 0.040 Uiso 0.544(4) 1 calc R U P B 1
O11B O -0.0596(13) 0.0569(7) 0.1409(10) 0.036(2) Uani 0.456(4) 1 d D U P B 2
N11B N -0.1240(4) 0.0369(4) 0.2131(4) 0.0288(12) Uani 0.456(4) 1 d D U P B 2
N12B N -0.2517(8) -0.0169(6) 0.3593(7) 0.0230(16) Uani 0.456(4) 1 d D U P B 2
C11B C -0.1655(6) 0.1135(5) 0.2556(5) 0.0303(14) Uani 0.456(4) 1 d D U P B 2
H11B H -0.1500 0.1843 0.2347 0.036 Uiso 0.456(4) 1 calc R U P B 2
C12B C -0.2363(12) 0.0863(9) 0.3360(10) 0.028(2) Uani 0.456(4) 1 d D U P B 2
C13B C -0.2876(18) 0.1585(10) 0.3904(16) 0.035(3) Uani 0.456(4) 1 d D U P B 2
H13B H -0.2791 0.2310 0.3738 0.042 Uiso 0.456(4) 1 calc R U P B 2
C14B C -0.350(2) 0.1237(12) 0.4679(17) 0.035(3) Uani 0.456(4) 1 d D U P B 2
H14B H -0.3854 0.1717 0.5053 0.042 Uiso 0.456(4) 1 calc R U P B 2
C15B C -0.3610(16) 0.0189(11) 0.4903(12) 0.035(3) Uani 0.456(4) 1 d D U P B 2
H15B H -0.4023 -0.0059 0.5448 0.041 Uiso 0.456(4) 1 calc R U P B 2
C16B C -0.3120(13) -0.0510(9) 0.4337(10) 0.033(2) Uani 0.456(4) 1 d D U P B 2
H16B H -0.3217 -0.1240 0.4483 0.039 Uiso 0.456(4) 1 calc R U P B 2
O21B O -0.2809(6) -0.2700(5) 0.3986(5) 0.0410(15) Uani 0.456(4) 1 d D U P B 2
N21B N -0.2185(5) -0.2544(5) 0.3238(5) 0.0294(12) Uani 0.456(4) 1 d D U P B 2
N22B N -0.095(4) -0.1997(12) 0.177(3) 0.029(2) Uani 0.456(4) 1 d D U P B 2
C21B C -0.1797(6) -0.3304(5) 0.2796(5) 0.0331(15) Uani 0.456(4) 1 d D U P B 2
H21B H -0.1987 -0.4018 0.2977 0.040 Uiso 0.456(4) 1 calc R U P B 2
C22B C -0.1072(18) -0.3031(12) 0.2024(14) 0.029(3) Uani 0.456(4) 1 d D U P B 2
C23B C -0.063(2) -0.3769(14) 0.1445(16) 0.033(3) Uani 0.456(4) 1 d D U P B 2
H23B H -0.0754 -0.4499 0.1589 0.039 Uiso 0.456(4) 1 calc R U P B 2
C24B C -0.001(3) -0.343(2) 0.065(2) 0.038(3) Uani 0.456(4) 1 d D U P B 2
H24B H 0.0342 -0.3911 0.0286 0.046 Uiso 0.456(4) 1 calc R U P B 2
C25B C 0.009(5) -0.238(2) 0.041(4) 0.039(4) Uani 0.456(4) 1 d D U P B 2
H25B H 0.0449 -0.2149 -0.0172 0.047 Uiso 0.456(4) 1 calc R U P B 2
C26B C -0.034(6) -0.1679(16) 0.102(4) 0.0339(14) Uani 0.456(4) 1 d D U P B 2
H26B H -0.0194 -0.0944 0.0895 0.041 Uiso 0.456(4) 1 calc R U P B 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
Dy Dy -0.1892 4.4098 '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
O1W Dy1 O1A 77.0(7) . . ?
O1W Dy1 O1B 81.0(15) . 2_556 ?
O1W Dy1 O1M 150.40(9) . . ?
O1A Dy1 O1M 86.0(7) . . ?
O1B Dy1 O1M 81.5(17) 2_556 . ?
O1W Dy1 O8 90.05(9) . . ?
O1A Dy1 O8 124.5(6) . . ?
O1B Dy1 O8 123.0(12) 2_556 . ?
O1M Dy1 O8 79.76(10) . . ?
O1W Dy1 O3 76.34(9) . . ?
O1A Dy1 O3 87.4(7) . . ?
O1B Dy1 O3 90.2(14) 2_556 . ?
O1M Dy1 O3 127.40(10) . . ?
O8 Dy1 O3 141.93(9) . . ?
O1W Dy1 O6 126.37(8) . . ?
O1A Dy1 O6 152.6(6) . . ?
O1B Dy1 O6 149.8(12) 2_556 . ?
O1M Dy1 O6 77.70(8) . . ?
O8 Dy1 O6 74.40(8) . . ?
O3 Dy1 O6 85.33(9) . . ?
O1W Dy1 O2 123.62(10) . . ?
O1A Dy1 O2 80.3(5) . . ?
O1B Dy1 O2 79.4(10) 2_556 . ?
O1M Dy1 O2 75.89(11) . . ?
O8 Dy1 O2 143.75(10) . . ?
O3 Dy1 O2 51.57(10) . . ?
O6 Dy1 O2 74.46(9) . . ?
O1W Dy1 O5 75.00(8) . . ?
O1A Dy1 O5 148.7(7) . . ?
O1B Dy1 O5 153.1(17) 2_556 . ?
O1M Dy1 O5 125.31(8) . . ?
O8 Dy1 O5 69.49(8) . . ?
O3 Dy1 O5 72.66(9) . . ?
O6 Dy1 O5 51.40(8) . . ?
O2 Dy1 O5 103.96(9) . . ?
O1W Dy1 O9 78.78(8) . . ?
O1A Dy1 O9 73.3(6) . . ?
O1B Dy1 O9 72.0(12) 2_556 . ?
O1M Dy1 O9 73.17(9) . . ?
O8 Dy1 O9 51.13(7) . . ?
O3 Dy1 O9 151.36(9) . . ?
O6 Dy1 O9 121.27(8) . . ?
O2 Dy1 O9 140.29(9) . . ?
O5 Dy1 O9 114.07(8) . . ?
O1W Dy1 N3 99.84(10) . . ?
O1A Dy1 N3 82.7(6) . . ?
O1B Dy1 N3 83.8(11) 2_556 . ?
O1M Dy1 N3 101.82(11) . . ?
O8 Dy1 N3 152.71(8) . . ?
O3 Dy1 N3 25.64(10) . . ?
O6 Dy1 N3 79.30(9) . . ?
O2 Dy1 N3 25.93(10) . . ?
O5 Dy1 N3 88.47(9) . . ?
O9 Dy1 N3 155.74(8) . . ?
O1W Dy1 N5 86.83(8) . . ?
O1A Dy1 N5 98.8(6) . . ?
O1B Dy1 N5 97.2(12) 2_556 . ?
O1M Dy1 N5 71.90(9) . . ?
O8 Dy1 N5 25.84(7) . . ?
O3 Dy1 N5 160.34(9) . . ?
O6 Dy1 N5 96.86(8) . . ?
O2 Dy1 N5 147.75(10) . . ?
O5 Dy1 N5 93.39(8) . . ?
O9 Dy1 N5 25.64(7) . . ?
N3 Dy1 N5 173.32(10) . . ?
N2A Pd1 N2A 180.0 . 2_556 ?
N1B Pd1 N1B 180.0 2_556 . ?
N2A Pd1 N1A 101.05(17) . 2_556 ?
N2A Pd1 N1A 78.95(17) 2_556 2_556 ?
N2A Pd1 N1A 78.95(17) . . ?
N2A Pd1 N1A 101.05(17) 2_556 . ?
N1A Pd1 N1A 180.0 2_556 . ?
N1B Pd1 N2B 99.7(4) 2_556 . ?
N1B Pd1 N2B 80.3(4) . . ?
N1B Pd1 N2B 80.3(4) 2_556 2_556 ?
N1B Pd1 N2B 99.7(4) . 2_556 ?
N2B Pd1 N2B 180.0(5) . 2_556 ?
N1A O1A Dy1 148.7(15) . . ?
C1A N1A O1A 120.5(11) . . ?
C1A N1A Pd1 115.4(3) . . ?
O1A N1A Pd1 124.1(10) . . ?
C6A N2A C2A 119.8(5) . . ?
C6A N2A Pd1 126.4(4) . . ?
C2A N2A Pd1 113.9(4) . . ?
N1A C1A C2A 116.0(4) . . ?
N1A C1A H1A 122.0 . . ?
C2A C1A H1A 122.0 . . ?
N2A C2A C3A 121.4(5) . . ?
N2A C2A C1A 115.7(5) . . ?
C3A C2A C1A 122.9(6) . . ?
C4A C3A C2A 119.0(6) . . ?
C4A C3A H3A 120.5 . . ?
C2A C3A H3A 120.5 . . ?
C3A C4A C5A 119.2(6) . . ?
C3A C4A H4A 120.4 . . ?
C5A C4A H4A 120.4 . . ?
C4A C5A C6A 119.6(5) . . ?
C4A C5A H5A 120.2 . . ?
C6A C5A H5A 120.2 . . ?
N2A C6A C5A 121.0(6) . . ?
N2A C6A H6A 119.5 . . ?
C5A C6A H6A 119.5 . . ?
N1B O1B Dy1 138(3) . 2_556 ?
C1B N1B O1B 122(2) . . ?
C1B N1B Pd1 114.0(6) . . ?
O1B N1B Pd1 124(2) . . ?
C6B N2B C2B 120.5(12) . . ?
C6B N2B Pd1 128.1(9) . . ?
C2B N2B Pd1 111.4(8) . . ?
N1B C1B C2B 116.9(9) . . ?
N1B C1B H1B 121.5 . . ?
C2B C1B H1B 121.5 . . ?
N2B C2B C3B 120.2(11) . . ?
N2B C2B C1B 117.3(11) . . ?
C3B C2B C1B 122.5(12) . . ?
C4B C3B C2B 119.0(13) . . ?
C4B C3B H3B 120.5 . . ?
C2B C3B H3B 120.5 . . ?
C5B C4B C3B 119.2(12) . . ?
C5B C4B H4B 120.4 . . ?
C3B C4B H4B 120.4 . . ?
C4B C5B C6B 118.4(11) . . ?
C4B C5B H5B 120.8 . . ?
C6B C5B H5B 120.8 . . ?
N2B C6B C5B 122.8(14) . . ?
N2B C6B H6B 118.6 . . ?
C5B C6B H6B 118.6 . . ?
O4 N3 O3 121.8(4) . . ?
O4 N3 O2 122.4(4) . . ?
O3 N3 O2 115.8(3) . . ?
O4 N3 Dy1 179.0(4) . . ?
O3 N3 Dy1 57.45(18) . . ?
O2 N3 Dy1 58.39(18) . . ?
N3 O2 Dy1 95.7(2) . . ?
N3 O3 Dy1 96.9(2) . . ?
O7 N4 O5 122.1(3) . . ?
O7 N4 O6 122.3(3) . . ?
O5 N4 O6 115.6(2) . . ?
O7 N4 Dy1 175.7(2) . . ?
O5 N4 Dy1 58.54(14) . . ?
O6 N4 Dy1 57.26(14) . . ?
N4 O5 Dy1 95.85(17) . . ?
N4 O6 Dy1 96.90(17) . . ?
O10 N5 O9 122.8(3) . . ?
O10 N5 O8 121.6(3) . . ?
O9 N5 O8 115.5(3) . . ?
O10 N5 Dy1 169.5(2) . . ?
O9 N5 Dy1 60.28(16) . . ?
O8 N5 Dy1 56.43(15) . . ?
N5 O8 Dy1 97.73(18) . . ?
N5 O9 Dy1 94.08(17) . . ?
C1M O1M Dy1 132.7(2) . . ?
C1M O1M H1MO 109.5 . . ?
Dy1 O1M H1MO 117.3 . . ?
O1M C1M H1MA 109.5 . . ?
O1M C1M H1MB 109.5 . . ?
H1MA C1M H1MB 109.5 . . ?
O1M C1M H1MC 109.5 . . ?
H1MA C1M H1MC 109.5 . . ?
H1MB C1M H1MC 109.5 . . ?
Dy1 O1W HWA 129(2) . . ?
Dy1 O1W HWB 118(2) . . ?
HWA O1W HWB 113(3) . . ?
N32 Pd3 N31 79.92(10) . . ?
N32 Pd3 N42 179.80(11) . . ?
N31 Pd3 N42 100.26(10) . . ?
N32 Pd3 N41 100.23(10) . . ?
N31 Pd3 N41 177.21(10) . . ?
N42 Pd3 N41 79.58(11) . . ?
O31 N31 C31 120.3(3) . . ?
O31 N31 Pd3 125.7(2) . . ?
C31 N31 Pd3 113.9(2) . . ?
C36 N32 C32 120.2(3) . . ?
C36 N32 Pd3 126.2(2) . . ?
C32 N32 Pd3 113.60(19) . . ?
N31 C31 C32 117.3(3) . . ?
N31 C31 H31 121.4 . . ?
C32 C31 H31 121.4 . . ?
N32 C32 C33 120.4(3) . . ?
N32 C32 C31 115.2(3) . . ?
C33 C32 C31 124.4(3) . . ?
C34 C33 C32 119.2(3) . . ?
C34 C33 H33 120.4 . . ?
C32 C33 H33 120.4 . . ?
C35 C34 C33 119.6(3) . . ?
C35 C34 H34 120.2 . . ?
C33 C34 H34 120.2 . . ?
C34 C35 C36 119.2(3) . . ?
C34 C35 H35 120.4 . . ?
C36 C35 H35 120.4 . . ?
N32 C36 C35 121.3(3) . . ?
N32 C36 H36 119.3 . . ?
C35 C36 H36 119.3 . . ?
O41 N41 C41 120.1(3) . . ?
O41 N41 Pd3 125.8(2) . . ?
C41 N41 Pd3 114.0(2) . . ?
C46 N42 C42 119.9(3) . . ?
C46 N42 Pd3 126.3(2) . . ?
C42 N42 Pd3 113.7(2) . . ?
N41 C41 C42 117.5(3) . . ?
N41 C41 H41 121.3 . . ?
C42 C41 H41 121.3 . . ?
N42 C42 C43 120.9(3) . . ?
N42 C42 C41 115.2(3) . . ?
C43 C42 C41 123.9(3) . . ?
C44 C43 C42 118.7(4) . . ?
C44 C43 H43 120.7 . . ?
C42 C43 H43 120.7 . . ?
C45 C44 C43 119.7(3) . . ?
C45 C44 H44 120.1 . . ?
C43 C44 H44 120.1 . . ?
C44 C45 C46 119.7(3) . . ?
C44 C45 H45 120.2 . . ?
C46 C45 H45 120.2 . . ?
N42 C46 C45 121.1(3) . . ?
N42 C46 H46 119.4 . . ?
C45 C46 H46 119.4 . . ?
N11B Pd2 N22B 104.8(5) . . ?
N11A Pd2 N12A 83.3(2) . . ?
N11A Pd2 N22A 100.9(4) . . ?
N12A Pd2 N22A 175.7(5) . . ?
N11B Pd2 N21B 175.8(2) . . ?
N22B Pd2 N21B 79.2(5) . . ?
N11B Pd2 N12B 80.1(3) . . ?
N22B Pd2 N12B 175.1(5) . . ?
N21B Pd2 N12B 95.9(3) . . ?
N11A Pd2 N21A 177.0(2) . . ?
N12A Pd2 N21A 98.8(2) . . ?
N22A Pd2 N21A 77.0(4) . . ?
C11A N11A O11A 121.3(6) . . ?
C11A N11A Pd2 113.3(4) . . ?
O11A N11A Pd2 125.4(5) . . ?
C16A N12A C12A 120.0(7) . . ?
C16A N12A Pd2 129.4(6) . . ?
C12A N12A Pd2 110.6(6) . . ?
N11A C11A C12A 118.0(6) . . ?
N11A C11A H11A 121.0 . . ?
C12A C11A H11A 121.0 . . ?
N12A C12A C13A 120.5(8) . . ?
N12A C12A C11A 114.8(7) . . ?
C13A C12A C11A 124.7(8) . . ?
C14A C13A C12A 118.7(8) . . ?
C14A C13A H13A 120.7 . . ?
C12A C13A H13A 120.7 . . ?
C15A C14A C13A 120.0(9) . . ?
C15A C14A H14A 120.0 . . ?
C13A C14A H14A 120.0 . . ?
C14A C15A C16A 119.2(9) . . ?
C14A C15A H15A 120.4 . . ?
C16A C15A H15A 120.4 . . ?
N12A C16A C15A 121.7(8) . . ?
N12A C16A H16A 119.2 . . ?
C15A C16A H16A 119.2 . . ?
O21A N21A C21A 121.2(6) . . ?
O21A N21A Pd2 124.0(5) . . ?
C21A N21A Pd2 114.8(4) . . ?
C26A N22A C22A 118.0(9) . . ?
C26A N22A Pd2 127.3(10) . . ?
C22A N22A Pd2 114.5(9) . . ?
N21A C21A C22A 118.7(8) . . ?
N21A C21A H21A 120.7 . . ?
C22A C21A H21A 120.7 . . ?
N22A C22A C23A 121.0(12) . . ?
N22A C22A C21A 114.9(12) . . ?
C23A C22A C21A 124.0(14) . . ?
C22A C23A C24A 119.1(14) . . ?
C22A C23A H23A 120.4 . . ?
C24A C23A H23A 120.4 . . ?
C25A C24A C23A 119.1(11) . . ?
C25A C24A H24A 120.4 . . ?
C23A C24A H24A 120.4 . . ?
C24A C25A C26A 119.3(13) . . ?
C24A C25A H25A 120.4 . . ?
C26A C25A H25A 120.4 . . ?
N22A C26A C25A 123.1(12) . . ?
N22A C26A H26A 118.4 . . ?
C25A C26A H26A 118.4 . . ?
O11B N11B C11B 119.7(6) . . ?
O11B N11B Pd2 123.7(6) . . ?
C11B N11B Pd2 116.5(4) . . ?
C16B N12B C12B 121.5(8) . . ?
C16B N12B Pd2 128.2(7) . . ?
C12B N12B Pd2 110.3(6) . . ?
N11B C11B C12B 117.1(7) . . ?
N11B C11B H11B 121.4 . . ?
C12B C11B H11B 121.4 . . ?
N12B C12B C13B 119.2(8) . . ?
N12B C12B C11B 115.9(9) . . ?
C13B C12B C11B 124.9(9) . . ?
C14B C13B C12B 119.6(10) . . ?
C14B C13B H13B 120.2 . . ?
C12B C13B H13B 120.2 . . ?
C15B C14B C13B 119.0(10) . . ?
C15B C14B H14B 120.5 . . ?
C13B C14B H14B 120.5 . . ?
C14B C15B C16B 120.1(9) . . ?
C14B C15B H15B 119.9 . . ?
C16B C15B H15B 119.9 . . ?
N12B C16B C15B 120.5(9) . . ?
N12B C16B H16B 119.7 . . ?
C15B C16B H16B 119.7 . . ?
C21B N21B O21B 122.2(7) . . ?
C21B N21B Pd2 112.4(5) . . ?
O21B N21B Pd2 125.4(5) . . ?
C26B N22B C22B 119.8(11) . . ?
C26B N22B Pd2 124.7(12) . . ?
C22B N22B Pd2 115.4(11) . . ?
N21B C21B C22B 117.4(8) . . ?
N21B C21B H21B 121.3 . . ?
C22B C21B H21B 121.3 . . ?
N22B C22B C23B 120.0(13) . . ?
N22B C22B C21B 115.4(12) . . ?
C23B C22B C21B 124.0(13) . . ?
C24B C23B C22B 119.3(14) . . ?
C24B C23B H23B 120.4 . . ?
C22B C23B H23B 120.4 . . ?
C25B C24B C23B 119.4(14) . . ?
C25B C24B H24B 120.3 . . ?
C23B C24B H24B 120.3 . . ?
C24B C25B C26B 119.0(17) . . ?
C24B C25B H25B 120.5 . . ?
C26B C25B H25B 120.5 . . ?
N22B C26B C25B 122.0(15) . . ?
N22B C26B H26B 119.0 . . ?
C25B C26B H26B 119.0 . . ?
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
Dy1 O1W 2.286(2) . ?
Dy1 O1A 2.29(3) . ?
Dy1 O1B 2.30(5) 2_556 ?
Dy1 O1M 2.340(2) . ?
Dy1 O8 2.433(2) . ?
Dy1 O3 2.449(3) . ?
Dy1 O6 2.457(2) . ?
Dy1 O2 2.469(3) . ?
Dy1 O5 2.487(2) . ?
Dy1 O9 2.519(2) . ?
Dy1 N3 2.885(3) . ?
Dy1 N5 2.893(3) . ?
Pd1 N2A 2.038(5) . ?
Pd1 N2A 2.038(5) 2_556 ?
Pd1 N1B 2.039(7) 2_556 ?
Pd1 N1B 2.039(7) . ?
Pd1 N1A 2.042(3) 2_556 ?
Pd1 N1A 2.042(3) . ?
Pd1 N2B 2.046(11) . ?
Pd1 N2B 2.046(11) 2_556 ?
O1A N1A 1.33(2) . ?
N1A C1A 1.304(6) . ?
N2A C6A 1.344(6) . ?
N2A C2A 1.350(7) . ?
C1A C2A 1.434(7) . ?
C1A H1A 0.9500 . ?
C2A C3A 1.396(8) . ?
C3A C4A 1.380(8) . ?
C3A H3A 0.9500 . ?
C4A C5A 1.384(8) . ?
C4A H4A 0.9500 . ?
C5A C6A 1.392(6) . ?
C5A H5A 0.9500 . ?
C6A H6A 0.9500 . ?
O1B N1B 1.33(5) . ?
O1B Dy1 2.30(5) 2_556 ?
N1B C1B 1.309(13) . ?
N2B C6B 1.310(14) . ?
N2B C2B 1.365(15) . ?
C1B C2B 1.414(15) . ?
C1B H1B 0.9500 . ?
C2B C3B 1.404(18) . ?
C3B C4B 1.400(18) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.391(17) . ?
C4B H4B 0.9500 . ?
C5B C6B 1.396(15) . ?
C5B H5B 0.9500 . ?
C6B H6B 0.9500 . ?
N3 O4 1.218(4) . ?
N3 O3 1.258(4) . ?
N3 O2 1.268(5) . ?
N4 O7 1.214(3) . ?
N4 O5 1.261(4) . ?
N4 O6 1.273(3) . ?
N5 O10 1.219(4) . ?
N5 O9 1.255(3) . ?
N5 O8 1.273(4) . ?
O1M C1M 1.419(5) . ?
O1M H1MO 0.8400 . ?
C1M H1MA 0.9800 . ?
C1M H1MB 0.9800 . ?
C1M H1MC 0.9800 . ?
O1W HWA 0.810(18) . ?
O1W HWB 0.830(18) . ?
Pd3 N32 2.030(2) . ?
Pd3 N31 2.030(3) . ?
Pd3 N42 2.033(2) . ?
Pd3 N41 2.047(3) . ?
O31 N31 1.274(3) . ?
N31 C31 1.313(4) . ?
N32 C36 1.335(4) . ?
N32 C32 1.353(4) . ?
C31 C32 1.430(4) . ?
C31 H31 0.9500 . ?
C32 C33 1.392(4) . ?
C33 C34 1.379(5) . ?
C33 H33 0.9500 . ?
C34 C35 1.372(5) . ?
C34 H34 0.9500 . ?
C35 C36 1.385(4) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
O41 N41 1.297(3) . ?
N41 C41 1.306(4) . ?
N42 C46 1.336(4) . ?
N42 C42 1.357(4) . ?
C41 C42 1.430(5) . ?
C41 H41 0.9500 . ?
C42 C43 1.388(5) . ?
C43 C44 1.384(6) . ?
C43 H43 0.9500 . ?
C44 C45 1.367(6) . ?
C44 H44 0.9500 . ?
C45 C46 1.383(5) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
Pd2 N11A 1.945(5) . ?
Pd2 N11B 1.968(5) . ?
Pd2 N22B 1.970(13) . ?
Pd2 N12A 2.009(8) . ?
Pd2 N22A 2.102(11) . ?
Pd2 N21B 2.117(7) . ?
Pd2 N12B 2.120(8) . ?
Pd2 N21A 2.122(5) . ?
O11A N11A 1.300(8) . ?
N11A C11A 1.298(8) . ?
N12A C16A 1.334(9) . ?
N12A C12A 1.357(8) . ?
C11A C12A 1.448(9) . ?
C11A H11A 0.9500 . ?
C12A C13A 1.400(12) . ?
C13A C14A 1.385(12) . ?
C13A H13A 0.9500 . ?
C14A C15A 1.368(10) . ?
C14A H14A 0.9500 . ?
C15A C16A 1.385(12) . ?
C15A H15A 0.9500 . ?
C16A H16A 0.9500 . ?
O21A N21A 1.298(8) . ?
N21A C21A 1.298(7) . ?
N22A C26A 1.333(12) . ?
N22A C22A 1.375(13) . ?
C21A C22A 1.424(14) . ?
C21A H21A 0.9500 . ?
C22A C23A 1.388(13) . ?
C23A C24A 1.388(15) . ?
C23A H23A 0.9500 . ?
C24A C25A 1.368(14) . ?
C24A H24A 0.9500 . ?
C25A C26A 1.376(12) . ?
C25A H25A 0.9500 . ?
C26A H26A 0.9500 . ?
O11B N11B 1.297(11) . ?
N11B C11B 1.303(8) . ?
N12B C16B 1.326(8) . ?
N12B C12B 1.351(10) . ?
C11B C12B 1.447(9) . ?
C11B H11B 0.9500 . ?
C12B C13B 1.403(13) . ?
C13B C14B 1.377(11) . ?
C13B H13B 0.9500 . ?
C14B C15B 1.369(12) . ?
C14B H14B 0.9500 . ?
C15B C16B 1.381(13) . ?
C15B H15B 0.9500 . ?
C16B H16B 0.9500 . ?
O21B N21B 1.302(8) . ?
N21B C21B 1.287(8) . ?
N22B C26B 1.336(14) . ?
N22B C22B 1.361(14) . ?
C21B C22B 1.427(14) . ?
C21B H21B 0.9500 . ?
C22B C23B 1.394(13) . ?
C23B C24B 1.387(16) . ?
C23B H23B 0.9500 . ?
C24B C25B 1.372(17) . ?
C24B H24B 0.9500 . ?
C25B C26B 1.375(15) . ?
C25B H25B 0.9500 . ?
C26B H26B 0.9500 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C1A H1A O2 0.95 2.38 3.146(6) 137.8 .
C6A H6A O1A 0.95 2.15 2.95(2) 141.7 2_556
C6A H6A O1W 0.95 2.66 3.422(6) 137.7 2_556
C6B H6B O1B 0.95 2.13 2.94(5) 142.3 2_556
C3B H3B O31 0.95 2.66 3.242(12) 120.5 2_456
C1B H1B O9 0.95 2.38 2.955(11) 118.9 2_556
C1B H1B O1W 0.95 2.36 2.996(11) 124.0 2_556
C1M H1MA O6 0.98 2.56 3.094(5) 114.3 .
C33 H33 O10 0.95 2.56 3.357(5) 142.0 1_455
C35 H35 O7 0.95 2.53 3.228(4) 130.5 2_565
C36 H36 O41 0.95 2.15 2.957(4) 141.7 .
C41 H41 O5 0.95 2.34 3.279(4) 167.9 2
C45 H45 O8 0.95 2.58 3.195(4) 122.9 1_445
C46 H46 O31 0.95 2.15 2.947(4) 141.1 .
C11A H11A O9 0.95 2.34 3.143(6) 141.4 2_556
C15A H15A O4 0.95 2.51 3.358(11) 148.3 .
C16A H16A O21A 0.95 2.16 2.963(14) 140.9 .
C23A H23A O21A 0.95 2.52 3.33(3) 143.3 2
C26A H26A O11A 0.95 2.21 2.986(15) 138.5 .
C11B H11B O3 0.95 2.40 3.262(7) 150.3 .
C16B H16B O21B 0.95 2.10 2.908(13) 141.7 .
C21B H21B O4 0.95 2.55 3.378(7) 145.7 1_545
C26B H26B O11B 0.95 2.17 2.97(2) 141.4 .
O1M H1MO O11A 0.84 1.77 2.602(6) 168.2 2_556
O1M H1MO O21B 0.84 1.69 2.510(6) 163.4 2_556
O1M H1MO N21B 0.84 2.56 3.391(7) 169.3 2_556
O1W HWA O41 0.810(18) 1.788(19) 2.596(3) 176(4) 2
O1W HWB O21A 0.830(18) 1.80(2) 2.631(13) 176(4) .
O1W HWB N21A 0.830(18) 2.64(2) 3.406(6) 154(3) .
O1W HWB O11B 0.830(18) 1.92(2) 2.732(14) 167(4) .
