#------------------------------------------------------------------------------
#$Date: 2016-02-04 23:25:35 +0200 (Thu, 04 Feb 2016) $
#$Revision: 175880 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/82/7118286.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_7118286
loop_
_publ_author_name
'Tian, Haiquan'
'Bao, Song-Song'
'Zheng, Li-Min'
_publ_section_title
;
 Cyclic single-molecule magnets: from the odd-numbered heptanuclear to a
 dimer of heptanuclear dysprosium clusters.
;
_journal_issue                   11
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              2314
_journal_page_last               2317
_journal_paper_doi               10.1039/c5cc08740f
_journal_volume                  52
_journal_year                    2016
_chemical_formula_moiety         'C212 H168 Dy14 N48 O66 P10, 4(H2 O)'
_chemical_formula_sum            'C212 H176 Dy14 N48 O70 P10'
_chemical_formula_weight         7100.70
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2015-09-14 deposited with the CCDC.
2015-12-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.477(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   22.068(2)
_cell_length_b                   25.118(3)
_cell_length_c                   44.977(5)
_cell_measurement_reflns_used    9922
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      24.087
_cell_measurement_theta_min      2.362
_cell_volume                     24432(5)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX II'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1077
_diffrn_reflns_av_unetI/netI     0.1490
_diffrn_reflns_laue_measured_fraction_full 0.998
_diffrn_reflns_laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -55
_diffrn_reflns_number            72269
_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         26.000
_diffrn_reflns_theta_min         1.259
_exptl_absorpt_coefficient_mu    4.379
_exptl_absorpt_correction_T_max  0.407
_exptl_absorpt_correction_T_min  0.280
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Bruker, 2000)'
_exptl_crystal_colour            'dark brown'
_exptl_crystal_density_diffrn    1.930
_exptl_crystal_description       block
_exptl_crystal_F_000             13672
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.250
_refine_diff_density_max         2.546
_refine_diff_density_min         -2.651
_refine_diff_density_rms         0.290
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1674
_refine_ls_number_reflns         23994
_refine_ls_number_restraints     1117
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.2588
_refine_ls_R_factor_gt           0.1576
_refine_ls_shift/su_max          0.025
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0001P)²+6183.9297P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3160
_refine_ls_wR_factor_ref         0.3752
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11469
_reflns_number_total             23994
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5cc08740f2.cif
_cod_data_source_block           Dy14
_cod_depositor_comments
'Adding full bibliography for 7118285--7118286.cif.'
_cod_original_cell_volume        24433(4)
_cod_database_code               7118286
_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   0.353
_shelx_estimated_absorpt_t_max   0.407
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
Dy1 Dy 0.67801(7) 0.48204(6) 0.23918(4) 0.0560(5) Uani 1 1 d . . .
Dy2 Dy 0.78415(7) 0.39006(6) 0.30393(5) 0.0603(5) Uani 1 1 d . . .
Dy3 Dy 0.86621(9) 0.46212(8) 0.38149(5) 0.0783(6) Uani 1 1 d . . .
Dy4 Dy 0.78574(11) 0.56159(11) 0.43300(7) 0.1057(9) Uani 1 1 d . . .
Dy5 Dy 0.63072(12) 0.50538(11) 0.45812(6) 0.1023(8) Uani 1 1 d . U .
Dy6 Dy 0.57274(8) 0.47091(7) 0.37531(5) 0.0672(6) Uani 1 1 d . . .
Dy7 Dy 0.61669(8) 0.53505(6) 0.30810(5) 0.0598(5) Uani 1 1 d . . .
P1 P 0.7719(4) 0.5121(3) 0.3122(3) 0.062(3) Uani 1 1 d . . .
P2 P 0.6262(3) 0.4175(3) 0.30582(19) 0.0383(19) Uani 1 1 d . . .
P3 P 0.6367(5) 0.5791(4) 0.3887(3) 0.077(3) Uani 1 1 d . . .
P4 P 0.7283(5) 0.4503(4) 0.4140(3) 0.073(3) Uani 1 1 d . . .
P5 P 0.5342(4) 0.5252(3) 0.1883(2) 0.063(3) Uani 1 1 d D . .
C1 C 0.8238(18) 0.4591(15) 0.1815(10) 0.078(7) Uani 1 1 d . U .
C2 C 0.5823(15) 0.2043(13) 0.3200(9) 0.065(5) Uani 1 1 d . U .
H2A H 0.5858 0.1680 0.3261 0.078 Uiso 1 1 calc R U .
C3 C 0.8693(15) 0.5416(13) 0.2687(10) 0.071(12) Uani 1 1 d . . .
H3A H 0.8596 0.5056 0.2724 0.085 Uiso 1 1 calc R U .
C4 C 0.4590(15) 0.3506(13) 0.2779(9) 0.060(5) Uani 1 1 d . U .
H4A H 0.4189 0.3649 0.2707 0.072 Uiso 1 1 calc R U .
C5 C 0.5211(15) 0.2779(12) 0.2962(9) 0.061(4) Uani 1 1 d . U .
C6 C 0.7136(16) 0.3548(15) 0.2322(10) 0.060(10) Uani 1 1 d . . .
C7 C 0.6685(16) 0.6071(12) 0.2595(9) 0.064(6) Uani 1 1 d . U .
C8 C 0.9245(19) 0.5815(11) 0.3620(12) 0.102(6) Uani 1 1 d D U .
C9 C 0.7791(14) 0.2565(14) 0.3147(10) 0.057(10) Uani 1 1 d . . .
H9A H 0.7872 0.2233 0.3249 0.068 Uiso 1 1 calc R U .
C10 C 0.846(2) 0.5345(16) 0.1528(9) 0.079(12) Uani 1 1 d . . .
H10A H 0.8630 0.5483 0.1366 0.095 Uiso 1 1 calc R U .
C11 C 0.4659(15) 0.2992(13) 0.2823(9) 0.061(5) Uani 1 1 d . U .
H11A H 0.4317 0.2762 0.2756 0.074 Uiso 1 1 calc R U .
C12 C 0.5285(15) 0.2208(12) 0.3045(9) 0.061(5) Uani 1 1 d . U .
H12A H 0.4951 0.1966 0.2988 0.074 Uiso 1 1 calc R U .
C13 C 0.6298(15) 0.2875(12) 0.3199(9) 0.063(5) Uani 1 1 d . U .
H13A H 0.6657 0.3092 0.3250 0.075 Uiso 1 1 calc R U .
C14 C 0.6920(16) 0.3638(14) 0.2026(10) 0.058(10) Uani 1 1 d . . .
C15 C 0.698(2) 0.3328(19) 0.1773(11) 0.088(15) Uani 1 1 d . . .
H15A H 0.7198 0.3005 0.1820 0.105 Uiso 1 1 calc R U .
C16 C 0.5735(15) 0.3100(12) 0.3042(9) 0.060(4) Uani 1 1 d . U .
C17 C 0.8149(17) 0.5657(17) 0.1684(9) 0.075(12) Uani 1 1 d . . .
H17A H 0.8158 0.6031 0.1655 0.090 Uiso 1 1 calc R U .
C18 C 0.6386(18) 0.4219(17) 0.1653(11) 0.081(13) Uani 1 1 d . . .
H18A H 0.6178 0.4546 0.1596 0.097 Uiso 1 1 calc R U .
C19 C 0.645(2) 0.6510(16) 0.2760(13) 0.108(8) Uani 1 1 d . U .
C20 C 0.7895(13) 0.4905(16) 0.1987(9) 0.066(11) Uani 1 1 d . . .
C21 C 0.8436(15) 0.5830(11) 0.2845(8) 0.064(5) Uani 1 1 d D U .
C22 C 0.7510(14) 0.5851(13) 0.2059(8) 0.054(9) Uani 1 1 d . . .
H22A H 0.7580 0.6217 0.2025 0.065 Uiso 1 1 calc R U .
C23 C 0.862(2) 0.336(2) 0.4046(14) 0.106(8) Uani 1 1 d . U .
C24 C 0.562(3) 0.743(2) 0.4117(12) 0.115(19) Uani 1 1 d . . .
H24A H 0.5470 0.7755 0.4187 0.138 Uiso 1 1 calc R U .
C25 C 0.826(2) 0.336(2) 0.3730(14) 0.103(18) Uani 1 1 d . . .
C26 C 0.800(2) 0.399(2) 0.4789(10) 0.118(9) Uani 1 1 d D U .
H26A H 0.7953 0.4368 0.4759 0.142 Uiso 1 1 calc R U .
C27 C 0.8981(17) 0.6452(16) 0.2556(10) 0.077(9) Uani 1 1 d . U .
H27A H 0.9089 0.6804 0.2511 0.092 Uiso 1 1 calc R U .
C28 C 0.7806(15) 0.5447(14) 0.1895(9) 0.061(10) Uani 1 1 d . . .
C29 C 0.504(2) 0.3427(16) 0.3607(11) 0.118(9) Uani 1 1 d D U .
H29A H 0.4954 0.3557 0.3405 0.142 Uiso 1 1 calc R U .
C30 C 0.9183(17) 0.6029(15) 0.2417(10) 0.076(9) Uani 1 1 d . U .
H30A H 0.9416 0.6084 0.2263 0.091 Uiso 1 1 calc R U .
C31 C 0.9693(17) 0.5184(15) 0.3383(9) 0.101(6) Uani 1 1 d D U .
H31A H 0.9747 0.4825 0.3326 0.121 Uiso 1 1 calc R U .
C32 C 0.707(2) 0.3422(18) 0.4057(12) 0.088(14) Uani 1 1 d . . .
H32A H 0.6871 0.3518 0.3857 0.106 Uiso 1 1 calc R U .
C33 C 0.5681(14) 0.3672(13) 0.2970(9) 0.059(5) Uani 1 1 d . U .
C34 C 0.5101(14) 0.3845(13) 0.2839(9) 0.060(5) Uani 1 1 d . U .
H34A H 0.5044 0.4211 0.2787 0.071 Uiso 1 1 calc R U .
C35 C 0.8018(16) 0.5752(11) 0.3042(8) 0.065(5) Uani 1 1 d D U .
C36 C 0.8379(16) 0.6795(12) 0.2915(8) 0.069(5) Uani 1 1 d D U .
H36A H 0.8428 0.7144 0.2842 0.083 Uiso 1 1 calc R U .
C37 C 0.8087(16) 0.6722(11) 0.3164(8) 0.069(5) Uani 1 1 d D U .
H37A H 0.8028 0.7007 0.3294 0.083 Uiso 1 1 calc R U .
C38 C 0.7580(19) 0.2562(16) 0.2833(12) 0.082(14) Uani 1 1 d . . .
H38A H 0.7457 0.2246 0.2722 0.098 Uiso 1 1 calc R U .
C39 C 0.647(2) 0.383(2) 0.1430(12) 0.112(18) Uani 1 1 d . . .
H39A H 0.6272 0.3894 0.1225 0.134 Uiso 1 1 calc R U .
C40 C 0.697(2) 0.698(2) 0.3791(12) 0.108(18) Uani 1 1 d . . .
H40A H 0.7141 0.6674 0.3716 0.130 Uiso 1 1 calc R U .
C41 C 0.833(2) 0.3819(19) 0.5069(11) 0.122(9) Uani 1 1 d D U .
H41A H 0.8542 0.4059 0.5218 0.147 Uiso 1 1 calc R U .
C42 C 0.8521(16) 0.4827(14) 0.1606(9) 0.064(10) Uani 1 1 d . . .
H42A H 0.8779 0.4612 0.1509 0.077 Uiso 1 1 calc R U .
C43 C 0.9893(16) 0.3387(16) 0.3428(11) 0.087(9) Uani 1 1 d . U .
H43A H 0.9840 0.3166 0.3245 0.130 Uiso 1 1 calc R U .
H43B H 0.9928 0.3158 0.3607 0.130 Uiso 1 1 calc R U .
H43C H 1.0270 0.3601 0.3444 0.130 Uiso 1 1 calc R U .
C44 C 0.607(2) 0.6415(18) 0.3959(11) 0.091(14) Uani 1 1 d . . .
C45 C 0.7886(16) 0.6199(8) 0.3208(9) 0.068(5) Uani 1 1 d D U .
H45A H 0.7647 0.6145 0.3359 0.081 Uiso 1 1 calc R U .
C46 C 0.8597(16) 0.6353(9) 0.2775(9) 0.066(5) Uani 1 1 d D U .
C47 C 0.921(2) 0.376(2) 0.4444(13) 0.111(8) Uani 1 1 d . U .
H47A H 0.9375 0.4074 0.4544 0.133 Uiso 1 1 calc R U .
C48 C 0.773(3) 0.3665(18) 0.4548(12) 0.117(9) Uani 1 1 d D U .
C49 C 0.727(3) 0.746(2) 0.3780(17) 0.17(3) Uani 1 1 d . . .
H49A H 0.7648 0.7469 0.3713 0.200 Uiso 1 1 calc R U .
C50 C 0.9976(18) 0.5576(11) 0.3258(11) 0.102(6) Uani 1 1 d D U .
H50A H 1.0223 0.5481 0.3116 0.123 Uiso 1 1 calc R U .
C51 C 0.617(2) 0.745(2) 0.4006(12) 0.102(17) Uani 1 1 d . . .
C52 C 0.601(2) 0.6687(15) 0.3173(12) 0.106(8) Uani 1 1 d . U .
H52A H 0.5839 0.6571 0.3339 0.127 Uiso 1 1 calc R U .
C53 C 0.553(3) 0.3578(18) 0.4125(11) 0.121(9) Uani 1 1 d D U .
C54 C 0.5820(18) 0.391(2) 0.4338(12) 0.091(9) Uani 1 1 d . U .
C55 C 0.863(2) 0.3711(14) 0.1781(11) 0.092(9) Uani 1 1 d . U .
H55A H 0.8605 0.3361 0.1873 0.138 Uiso 1 1 calc R U .
H55B H 0.9066 0.3829 0.1823 0.138 Uiso 1 1 calc R U .
H55C H 0.8484 0.3686 0.1561 0.138 Uiso 1 1 calc R U .
C56 C 0.9051(16) 0.5512(16) 0.2498(10) 0.078(13) Uani 1 1 d . . .
H56A H 0.9230 0.5221 0.2412 0.094 Uiso 1 1 calc R U .
C57 C 0.743(3) 0.273(2) 0.4420(14) 0.11(2) Uani 1 1 d . . .
H57A H 0.7487 0.2362 0.4469 0.134 Uiso 1 1 calc R U .
C58 C 0.6326(16) 0.2355(13) 0.3277(9) 0.066(5) Uani 1 1 d . U .
H58A H 0.6702 0.2208 0.3385 0.080 Uiso 1 1 calc R U .
C59 C 0.9523(18) 0.6217(15) 0.3502(10) 0.104(6) Uani 1 1 d D U .
H59A H 0.9437 0.6577 0.3543 0.125 Uiso 1 1 calc R U .
C60 C 0.934(2) 0.328(2) 0.4596(13) 0.114(8) Uani 1 1 d . U .
H60A H 0.9615 0.3274 0.4786 0.137 Uiso 1 1 calc R U .
C61 C 0.609(2) 0.7227(16) 0.3114(12) 0.111(8) Uani 1 1 d . U .
H61A H 0.5954 0.7478 0.3245 0.134 Uiso 1 1 calc R U .
C62 C 0.484(2) 0.2942(17) 0.3671(11) 0.122(9) Uani 1 1 d D U .
H62A H 0.4600 0.2732 0.3515 0.146 Uiso 1 1 calc R U .
C63 C 0.7349(17) 0.384(2) 0.4273(11) 0.096(17) Uani 1 1 d . . .
C64 C 0.709(2) 0.289(2) 0.4145(17) 0.13(2) Uani 1 1 d . . .
H64A H 0.6868 0.2634 0.4012 0.152 Uiso 1 1 calc R U .
C65 C 0.529(2) 0.697(2) 0.4130(12) 0.101(16) Uani 1 1 d . . .
H65A H 0.4903 0.6980 0.4189 0.121 Uiso 1 1 calc R U .
C66 C 0.834(3) 0.3269(18) 0.5116(12) 0.123(9) Uani 1 1 d D U .
H66A H 0.8567 0.3127 0.5300 0.147 Uiso 1 1 calc R U .
C67 C 0.875(2) 0.287(2) 0.4200(13) 0.109(8) Uani 1 1 d . U .
H67A H 0.8607 0.2550 0.4100 0.131 Uiso 1 1 calc R U .
C68 C 0.5532(18) 0.6505(16) 0.4058(10) 0.083(14) Uani 1 1 d . . .
H68A H 0.5294 0.6197 0.4079 0.100 Uiso 1 1 calc R U .
C69 C 0.639(2) 0.693(2) 0.3919(10) 0.090(14) Uani 1 1 d . . .
C70 C 0.768(3) 0.313(2) 0.4626(12) 0.118(9) Uani 1 1 d D U .
C71 C 0.532(2) 0.3083(17) 0.4162(12) 0.125(9) Uani 1 1 d D U .
H71A H 0.5436 0.2941 0.4362 0.150 Uiso 1 1 calc R U .
C72 C 0.801(2) 0.292(2) 0.4899(10) 0.121(9) Uani 1 1 d D U .
H72A H 0.8015 0.2548 0.4936 0.145 Uiso 1 1 calc R U .
C73 C 0.650(3) 0.789(2) 0.3989(14) 0.14(3) Uani 1 1 d . . .
H73A H 0.6354 0.8205 0.4071 0.166 Uiso 1 1 calc R U .
C74 C 0.701(3) 0.795(2) 0.3870(15) 0.13(2) Uani 1 1 d . . .
H74A H 0.7187 0.8290 0.3847 0.158 Uiso 1 1 calc R U .
C75 C 0.655(2) 0.7029(16) 0.2727(13) 0.113(8) Uani 1 1 d . U .
H75A H 0.6799 0.7128 0.2585 0.135 Uiso 1 1 calc R U .
C76 C 0.942(3) 0.525(2) 0.4457(14) 0.115(8) Uani 1 1 d . U .
C77 C 0.9342(18) 0.3752(16) 0.3408(12) 0.076(6) Uani 1 1 d . U .
C78 C 0.690(2) 0.623(2) 0.4718(13) 0.12(2) Uani 1 1 d . . .
C79 C 0.637(3) 0.633(2) 0.4860(18) 0.188(13) Uani 1 1 d D U .
C80 C 0.484(3) 0.4847(19) 0.4312(16) 0.11(2) Uani 1 1 d . . .
C81 C 0.624(3) 0.680(3) 0.4983(16) 0.189(13) Uani 1 1 d D U .
H81A H 0.6529 0.7088 0.4990 0.227 Uiso 1 1 calc R U .
C82 C 0.532(3) 0.647(2) 0.5042(17) 0.190(13) Uani 1 1 d D U .
H82A H 0.4919 0.6514 0.5090 0.227 Uiso 1 1 calc R U .
C83 C 0.419(2) 0.485(2) 0.4354(12) 0.13(2) Uani 1 1 d . . .
H83A H 0.4158 0.5094 0.4521 0.189 Uiso 1 1 calc R U .
H83B H 0.4072 0.4493 0.4402 0.189 Uiso 1 1 calc R U .
H83C H 0.3924 0.4977 0.4167 0.189 Uiso 1 1 calc R U .
C84 C 0.545(3) 0.600(3) 0.4921(16) 0.188(13) Uani 1 1 d D U .
H84A H 0.5159 0.5723 0.4906 0.225 Uiso 1 1 calc R U .
C85 C 0.993(3) 0.536(2) 0.4615(13) 0.139(12) Uani 1 1 d . U .
H85A H 0.9881 0.5615 0.4771 0.209 Uiso 1 1 calc R U .
H85B H 1.0197 0.5510 0.4486 0.209 Uiso 1 1 calc R U .
H85C H 1.0124 0.5032 0.4711 0.209 Uiso 1 1 calc R U .
C86 C 0.846(3) 0.686(2) 0.4293(14) 0.132(10) Uani 1 1 d . U .
H86A H 0.8724 0.7138 0.4256 0.159 Uiso 1 1 calc R U .
C87 C 0.805(3) 0.694(2) 0.4497(14) 0.135(10) Uani 1 1 d . U .
H87A H 0.8026 0.7281 0.4590 0.162 Uiso 1 1 calc R U .
C88 C 0.887(2) 0.5946(16) 0.3863(13) 0.104(6) Uani 1 1 d . U .
C90' C 0.555(2) 0.5934(5) 0.1811(10) 0.090(9) Uani 0.5 1 d D U P
C93' C 0.589(3) 0.6976(7) 0.1717(12) 0.090(9) Uani 0.5 1 d D U P
H93B H 0.6017 0.7331 0.1687 0.108 Uiso 0.5 1 calc R U P
C91' C 0.539(2) 0.6339(9) 0.1994(9) 0.089(9) Uani 0.5 1 d D U P
H91A H 0.5169 0.6263 0.2150 0.107 Uiso 0.5 1 calc R U P
C92' C 0.556(2) 0.6857(12) 0.1942(11) 0.089(9) Uani 0.5 1 d D U P
H92A H 0.5454 0.7137 0.2063 0.107 Uiso 0.5 1 calc R U P
C94' C 0.604(2) 0.6563(13) 0.1539(9) 0.092(9) Uani 0.5 1 d DG U P
C95' C 0.587(2) 0.6039(15) 0.1581(9) 0.091(9) Uani 0.5 1 d DG U P
C108 C 0.602(2) 0.5638(11) 0.1395(11) 0.097(9) Uani 0.5 1 d DG U P
H10B H 0.5904 0.5281 0.1424 0.116 Uiso 0.5 1 calc R U P
C109 C 0.634(3) 0.5761(14) 0.1168(10) 0.098(10) Uani 0.5 1 d DG U P
H10C H 0.6447 0.5487 0.1042 0.117 Uiso 0.5 1 calc R U P
C110 C 0.651(2) 0.6284(16) 0.1126(10) 0.099(10) Uani 0.5 1 d DG U P
H11B H 0.6733 0.6367 0.0971 0.119 Uiso 0.5 1 d R U P
C111 C 0.636(2) 0.6685(12) 0.1312(11) 0.096(9) Uani 0.5 1 d DG U P
H11C H 0.6476 0.7043 0.1283 0.115 Uiso 0.5 1 calc R U P
C107 C 0.778(3) 0.5869(18) 0.5775(12) 0.190(14) Uani 1 1 d D U .
H10I H 0.7812 0.6246 0.5723 0.285 Uiso 1 1 calc R U .
H10J H 0.8195 0.5724 0.5849 0.285 Uiso 1 1 calc R U .
H10K H 0.7536 0.5836 0.5934 0.285 Uiso 1 1 calc R U .
C90 C 0.5576(17) 0.5866(5) 0.1730(4) 0.089(10) Uani 0.5 1 d D U P
C93 C 0.5931(14) 0.6856(6) 0.1480(4) 0.093(10) Uani 0.5 1 d D U P
H93A H 0.6059 0.7179 0.1401 0.111 Uiso 0.5 1 calc R U P
C94 C 0.593(2) 0.6355(5) 0.1319(5) 0.092(10) Uani 0.5 1 d D U P
H94A H 0.6039 0.6358 0.1125 0.110 Uiso 0.5 1 calc R U P
C95 C 0.5775(15) 0.5850(6) 0.1442(4) 0.090(10) Uani 0.5 1 d D U P
H95A H 0.5802 0.5524 0.1338 0.108 Uiso 0.5 1 calc R U P
C91 C 0.5590(17) 0.6349(4) 0.1909(4) 0.090(9) Uani 0.5 1 d D U P
C92 C 0.5725(14) 0.6841(6) 0.1767(3) 0.092(9) Uani 0.5 1 d D U P
C103 C 0.576(2) 0.7339(7) 0.1933(6) 0.092(10) Uani 0.5 1 d D U P
H10H H 0.5864 0.7659 0.1843 0.111 Uiso 0.5 1 calc R U P
C104 C 0.563(3) 0.7347(8) 0.2236(7) 0.093(10) Uani 0.5 1 d D U P
H10D H 0.5664 0.7669 0.2349 0.111 Uiso 0.5 1 calc R U P
C105 C 0.543(2) 0.6863(10) 0.2368(5) 0.092(10) Uani 0.5 1 d D U P
H10E H 0.5316 0.6873 0.2560 0.111 Uiso 0.5 1 calc R U P
C106 C 0.542(2) 0.6363(7) 0.2205(6) 0.091(10) Uani 0.5 1 d D U P
H10G H 0.5305 0.6045 0.2293 0.109 Uiso 0.5 1 calc R U P
C102 C 0.649(2) 0.3947(17) 0.5058(9) 0.14(2) Uani 1 1 d D . .
H10F H 0.6452 0.3573 0.5082 0.170 Uiso 1 1 calc R U .
C96 C 0.684(2) 0.4275(14) 0.5313(9) 0.172(10) Uani 1 1 d D U .
C97 C 0.7042(18) 0.4794(13) 0.5282(7) 0.169(10) Uani 1 1 d D U .
C98 C 0.740(2) 0.5053(14) 0.5530(8) 0.176(10) Uani 1 1 d D U .
C99 C 0.756(2) 0.4795(18) 0.5809(8) 0.179(10) Uani 1 1 d D U .
H99A H 0.7804 0.4971 0.5977 0.215 Uiso 1 1 calc R U .
C100 C 0.735(2) 0.428(2) 0.5840(9) 0.180(11) Uani 1 1 d D U .
H10L H 0.7440 0.4107 0.6033 0.216 Uiso 1 1 calc R U .
C101 C 0.701(2) 0.4011(17) 0.5590(10) 0.177(11) Uani 1 1 d D U .
H10M H 0.6897 0.3649 0.5607 0.212 Uiso 1 1 d R U .
N1 N 0.7160(12) 0.5723(9) 0.2247(7) 0.059(6) Uani 1 1 d . U .
N2 N 0.7880(15) 0.2984(11) 0.3300(10) 0.072(10) Uani 1 1 d . . .
N3 N 0.6998(12) 0.6203(9) 0.2382(7) 0.061(6) Uani 1 1 d . U .
N4 N 0.7334(15) 0.3080(13) 0.2400(10) 0.074(10) Uani 1 1 d . . .
N5 N 0.7565(14) 0.3055(12) 0.2700(10) 0.071(10) Uani 1 1 d . . .
N6 N 0.9335(14) 0.5290(12) 0.3585(9) 0.101(6) Uani 1 1 d D U .
N7 N 0.8863(18) 0.3801(18) 0.4163(10) 0.107(8) Uani 1 1 d . U .
N8 N 0.6196(18) 0.6343(12) 0.2983(10) 0.107(7) Uani 1 1 d . U .
N9 N 0.6622(14) 0.4102(11) 0.1952(8) 0.064(9) Uani 1 1 d . . .
N10 N 0.598(2) 0.3723(19) 0.4613(10) 0.118(14) Uani 1 1 d . U .
N11 N 0.8159(15) 0.2902(12) 0.3605(11) 0.082(11) Uani 1 1 d . . .
N12 N 0.9926(15) 0.6094(12) 0.3324(9) 0.104(6) Uani 1 1 d D U .
N13 N 0.6779(18) 0.3405(18) 0.1492(10) 0.099(13) Uani 1 1 d . . .
N14 N 0.907(2) 0.2850(18) 0.4477(11) 0.113(8) Uani 1 1 d . U .
N15 N 0.5372(19) 0.3724(16) 0.3832(9) 0.118(9) Uani 1 1 d D U .
N16 N 0.623(2) 0.417(2) 0.4804(9) 0.118(14) Uani 1 1 d D U .
N17 N 0.846(2) 0.6413(18) 0.4161(11) 0.130(10) Uani 1 1 d . U .
N18 N 0.8858(17) 0.6398(14) 0.3962(11) 0.108(7) Uani 1 1 d . U .
N19 N 0.497(2) 0.2758(17) 0.3959(9) 0.126(9) Uani 1 1 d D U .
N20 N 0.6338(19) 0.7420(13) 0.2880(11) 0.116(8) Uani 1 1 d . U .
N21 N 0.724(2) 0.669(2) 0.4703(12) 0.15(2) Uani 1 1 d . . .
N22 N 0.772(2) 0.6550(19) 0.4552(12) 0.135(11) Uani 1 1 d . U .
N23 N 0.599(2) 0.590(2) 0.4820(14) 0.187(13) Uani 1 1 d D U .
N24 N 0.572(2) 0.689(2) 0.5097(14) 0.191(13) Uani 1 1 d D U .
O1 O 0.7521(9) 0.4813(7) 0.2824(5) 0.046(5) Uani 1 1 d . . .
O2 O 0.8178(10) 0.4764(9) 0.3325(6) 0.064(7) Uani 1 1 d . . .
O3 O 0.7181(11) 0.5248(9) 0.3264(6) 0.068(7) Uani 1 1 d . . .
O4 O 0.6223(9) 0.4580(9) 0.2783(6) 0.068(7) Uani 1 1 d . . .
O5 O 0.6889(9) 0.3918(8) 0.3149(5) 0.056(6) Uani 1 1 d . . .
O6 O 0.6081(9) 0.4506(7) 0.3304(5) 0.042(5) Uani 1 1 d . . .
O7 O 0.7059(11) 0.5802(9) 0.3947(7) 0.078(8) Uani 1 1 d . . .
O8 O 0.6060(11) 0.5403(10) 0.4081(6) 0.080(8) Uani 1 1 d . . .
O9 O 0.6117(11) 0.5613(9) 0.3569(7) 0.074(8) Uani 1 1 d . . .
O10 O 0.7896(12) 0.4725(12) 0.4084(6) 0.087(9) Uani 1 1 d . . .
O11 O 0.7182(13) 0.4869(11) 0.4403(6) 0.087(9) Uani 1 1 d . . .
O12 O 0.6795(10) 0.4507(8) 0.3872(5) 0.052(6) Uani 1 1 d . . .
O13 O 0.5898(9) 0.5026(8) 0.2076(5) 0.054(6) Uani 1 1 d . . .
O14 O 0.5103(10) 0.4926(10) 0.1598(6) 0.071(7) Uani 1 1 d . . .
O15 O 0.4845(11) 0.5352(8) 0.2068(6) 0.064(7) Uani 1 1 d . . .
O16 O 0.7655(10) 0.4715(8) 0.2201(6) 0.072(8) Uani 1 1 d . . .
O17 O 0.6517(10) 0.5604(7) 0.2648(6) 0.058(6) Uani 1 1 d . . .
O18 O 0.8254(12) 0.4096(9) 0.1909(7) 0.079(6) Uani 1 1 d . U .
O19 O 0.7104(9) 0.3943(8) 0.2526(6) 0.058(6) Uani 1 1 d . . .
O20 O 0.8145(11) 0.3848(10) 0.3620(6) 0.071(7) Uani 1 1 d . . .
O21 O 0.8425(12) 0.5541(10) 0.3877(8) 0.099(6) Uani 1 1 d . U .
O22 O 0.6927(16) 0.5840(15) 0.4579(8) 0.124(13) Uani 1 1 d . . .
O23 O 0.6016(11) 0.4373(13) 0.4246(7) 0.091(8) Uani 1 1 d . U .
O24 O 0.6871(18) 0.5045(16) 0.5027(7) 0.162(10) Uani 1 1 d D U .
O25 O 0.747(2) 0.5563(15) 0.5497(8) 0.180(11) Uani 1 1 d D U .
O26 O 0.8901(11) 0.3694(9) 0.3197(7) 0.075(6) Uani 1 1 d . U .
O27 O 0.9372(10) 0.4088(10) 0.3615(7) 0.079(6) Uani 1 1 d . U .
O28 O 0.4899(13) 0.4787(12) 0.4021(7) 0.096(10) Uani 1 1 d . . .
O29 O 0.528(2) 0.4994(14) 0.4506(10) 0.127(15) Uani 1 1 d . . .
O30 O 0.9410(15) 0.4900(13) 0.4226(8) 0.113(8) Uani 1 1 d . U .
O31 O 0.8871(16) 0.5447(14) 0.4504(8) 0.117(8) Uani 1 1 d . U .
O2W O 0.8393(10) 0.4094(9) 0.2637(6) 0.071(7) Uani 1 1 d . . .
H2WA H 0.8495 0.3804 0.2563 0.106 Uiso 1 1 d R U .
H2WB H 0.8157 0.4271 0.2500 0.106 Uiso 1 1 d R U .
O1W O 0.8055(17) 0.5443(17) 0.4837(13) 0.22(3) Uani 1 1 d . . .
H1WA H 0.8221 0.5714 0.4933 0.326 Uiso 1 1 d R U .
H1WB H 0.7717 0.5372 0.4891 0.326 Uiso 1 1 d R U .
O4W O 0.581(4) 0.134(4) 0.414(2) 0.40(5) Uani 1 1 d . U .
H4WA H 0.5737 0.1457 0.4304 0.604 Uiso 1 1 d R U .
H4WB H 0.5467 0.1294 0.4013 0.604 Uiso 1 1 d R U .
O3W O 0.533(4) 0.801(3) 0.5232(18) 0.35(4) Uani 1 1 d . U .
H3WA H 0.5224 0.8321 0.5163 0.525 Uiso 1 1 d R U .
H3WB H 0.5026 0.7858 0.5282 0.525 Uiso 1 1 d R U .
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'
P P 0.1023 0.0942 '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
O13 Dy1 O1 158.9(7) . .
O13 Dy1 O16 118.9(9) . .
O1 Dy1 O16 78.7(9) . .
O13 Dy1 O19 124.1(8) . .
O1 Dy1 O19 69.2(8) . .
O16 Dy1 O19 75.6(7) . .
O13 Dy1 O17 81.5(8) . .
O1 Dy1 O17 78.4(7) . .
O16 Dy1 O17 125.3(7) . .
O19 Dy1 O17 137.0(8) . .
O13 Dy1 O4 90.9(8) . .
O1 Dy1 O4 76.0(7) . .
O16 Dy1 O4 146.9(9) . .
O19 Dy1 O4 75.7(7) . .
O17 Dy1 O4 69.5(7) . .
O13 Dy1 N1 85.4(8) . .
O1 Dy1 N1 90.6(8) . .
O16 Dy1 N1 70.1(8) . .
O19 Dy1 N1 143.0(7) . .
O17 Dy1 N1 61.2(8) . .
O4 Dy1 N1 130.6(8) . .
O13 Dy1 N9 73.4(9) . .
O1 Dy1 N9 126.7(9) . .
O16 Dy1 N9 68.6(8) . .
O19 Dy1 N9 62.7(9) . .
O17 Dy1 N9 154.9(10) . .
O4 Dy1 N9 111.3(7) . .
N1 Dy1 N9 114.6(9) . .
O5 Dy2 O26 148.2(9) . .
O5 Dy2 O2W 142.1(9) . .
O26 Dy2 O2W 69.7(9) . .
O5 Dy2 O1 82.2(6) . .
O26 Dy2 O1 119.9(7) . .
O2W Dy2 O1 71.2(7) . .
O5 Dy2 O19 75.1(7) . .
O26 Dy2 O19 134.1(8) . .
O2W Dy2 O19 68.9(7) . .
O1 Dy2 O19 62.4(6) . .
O5 Dy2 O2 93.7(7) . .
O26 Dy2 O2 82.2(8) . .
O2W Dy2 O2 93.8(7) . .
O1 Dy2 O2 57.0(7) . .
O19 Dy2 O2 119.3(7) . .
O5 Dy2 O20 81.1(8) . .
O26 Dy2 O20 69.0(9) . .
O2W Dy2 O20 134.6(8) . .
O1 Dy2 O20 115.6(7) . .
O19 Dy2 O20 156.1(7) . .
O2 Dy2 O20 62.7(8) . .
O5 Dy2 N2 82.3(8) . .
O26 Dy2 N2 74.1(9) . .
O2W Dy2 N2 122.9(8) . .
O1 Dy2 N2 164.4(7) . .
O19 Dy2 N2 114.0(11) . .
O2 Dy2 N2 123.4(11) . .
O20 Dy2 N2 60.8(11) . .
O5 Dy2 N5 91.4(8) . .
O26 Dy2 N5 95.7(9) . .
O2W Dy2 N5 79.7(9) . .
O1 Dy2 N5 119.8(10) . .
O19 Dy2 N5 58.1(10) . .
O2 Dy2 N5 173.4(8) . .
O20 Dy2 N5 122.4(10) . .
N2 Dy2 N5 61.5(13) . .
O2 Dy3 O10 103.9(9) . .
O2 Dy3 O30 147.4(10) . .
O10 Dy3 O30 91.6(11) . .
O2 Dy3 O20 70.6(8) . .
O10 Dy3 O20 86.3(10) . .
O30 Dy3 O20 139.9(11) . .
O2 Dy3 O27 86.6(9) . .
O10 Dy3 O27 151.8(9) . .
O30 Dy3 O27 93.0(11) . .
O20 Dy3 O27 72.4(8) . .
O2 Dy3 O21 83.6(10) . .
O10 Dy3 O21 68.0(10) . .
O30 Dy3 O21 75.8(12) . .
O20 Dy3 O21 138.1(9) . .
O27 Dy3 O21 139.9(8) . .
O2 Dy3 N7 134.9(12) . .
O10 Dy3 N7 79.9(11) . .
O30 Dy3 N7 75.4(13) . .
O20 Dy3 N7 64.8(12) . .
O27 Dy3 N7 74.4(11) . .
O21 Dy3 N7 135.7(13) . .
O2 Dy3 N6 72.9(10) . .
O10 Dy3 N6 133.0(10) . .
O30 Dy3 N6 75.5(12) . .
O20 Dy3 N6 131.8(10) . .
O27 Dy3 N6 74.9(8) . .
O21 Dy3 N6 65.0(9) . .
N7 Dy3 N6 136.0(12) . .
O7 Dy4 O31 150.8(11) . .
O7 Dy4 O1W 140.4(12) . .
O31 Dy4 O1W 68.8(13) . .
O7 Dy4 O11 81.8(10) . .
O31 Dy4 O11 113.3(11) . .
O1W Dy4 O11 73.8(12) . .
O7 Dy4 O10 86.4(8) . .
O31 Dy4 O10 82.3(10) . .
O1W Dy4 O10 104.8(11) . .
O11 Dy4 O10 56.8(8) . .
O7 Dy4 O22 73.7(10) . .
O31 Dy4 O22 135.0(12) . .
O1W Dy4 O22 67.6(13) . .
O11 Dy4 O22 63.5(10) . .
O10 Dy4 O22 119.0(10) . .
O7 Dy4 N22 88.5(13) . .
O31 Dy4 N22 102.7(13) . .
O1W Dy4 N22 78.5(15) . .
O11 Dy4 N22 121.4(12) . .
O10 Dy4 N22 174.8(13) . .
O22 Dy4 N22 58.3(13) . .
O7 Dy4 N17 89.1(13) . .
O31 Dy4 N17 73.6(14) . .
O1W Dy4 N17 115.7(15) . .
O11 Dy4 N17 170.3(13) . .
O10 Dy4 N17 119.7(12) . .
O22 Dy4 N17 117.0(14) . .
N22 Dy4 N17 61.2(15) . .
O7 Dy4 O21 80.9(9) . .
O31 Dy4 O21 70.1(11) . .
O1W Dy4 O21 138.1(12) . .
O11 Dy4 O21 116.6(8) . .
O10 Dy4 O21 61.7(7) . .
O22 Dy4 O21 154.3(11) . .
N22 Dy4 O21 118.6(12) . .
N17 Dy4 O21 58.3(11) . .
O24 Dy5 O29 121.7(15) . .
O24 Dy5 O11 87.3(13) . .
O29 Dy5 O11 147.0(12) . .
O24 Dy5 O23 130.2(13) . .
O29 Dy5 O23 72.9(11) . .
O11 Dy5 O23 76.3(9) . .
O24 Dy5 O8 150.8(12) . .
O29 Dy5 O8 81.2(13) . .
O11 Dy5 O8 78.0(10) . .
O23 Dy5 O8 70.8(10) . .
O24 Dy5 O22 77.7(14) . .
O29 Dy5 O22 128.1(13) . .
O11 Dy5 O22 69.1(11) . .
O23 Dy5 O22 134.2(11) . .
O8 Dy5 O22 73.5(11) . .
O24 Dy5 N16 71.5(16) . .
O29 Dy5 N16 81.4(15) . .
O11 Dy5 N16 95.3(11) . .
O23 Dy5 N16 63.9(14) . .
O8 Dy5 N16 134.4(13) . .
O22 Dy5 N16 146.1(15) . .
O24 Dy5 N23 76.9(18) . .
O29 Dy5 N23 76.2(14) . .
O11 Dy5 N23 130.1(13) . .
O23 Dy5 N23 146.9(14) . .
O8 Dy5 N23 93.4(17) . .
O22 Dy5 N23 61.4(13) . .
N16 Dy5 N23 122.4(16) . .
O14 Dy6 O8 112.3(10) 2_655 .
O14 Dy6 O23 142.1(8) 2_655 .
O8 Dy6 O23 71.0(11) . .
O14 Dy6 O6 79.1(8) 2_655 .
O8 Dy6 O6 126.4(7) . .
O23 Dy6 O6 131.2(8) . .
O14 Dy6 O12 148.4(8) 2_655 .
O8 Dy6 O12 80.9(8) . .
O23 Dy6 O12 68.7(8) . .
O6 Dy6 O12 70.3(7) . .
O14 Dy6 O28 74.7(10) 2_655 .
O8 Dy6 O28 78.1(9) . .
O23 Dy6 O28 69.1(10) . .
O6 Dy6 O28 149.9(9) . .
O12 Dy6 O28 137.0(10) . .
O14 Dy6 O9 80.7(9) 2_655 .
O8 Dy6 O9 57.6(9) . .
O23 Dy6 O9 124.6(10) . .
O6 Dy6 O9 74.4(7) . .
O12 Dy6 O9 83.3(7) . .
O28 Dy6 O9 114.9(9) . .
O14 Dy6 N15 95.7(12) 2_655 .
O8 Dy6 N15 133.5(11) . .
O23 Dy6 N15 64.4(12) . .
O6 Dy6 N15 94.0(9) . .
O12 Dy6 N15 94.4(11) . .
O28 Dy6 N15 74.5(11) . .
O9 Dy6 N15 168.3(10) . .
O15 Dy7 O3 172.5(8) 2_655 .
O15 Dy7 O9 93.0(9) 2_655 .
O3 Dy7 O9 85.2(9) . .
O15 Dy7 O17 103.4(8) 2_655 .
O3 Dy7 O17 82.2(8) . .
O9 Dy7 O17 143.5(7) . .
O15 Dy7 O6 88.2(7) 2_655 .
O3 Dy7 O6 84.3(7) . .
O9 Dy7 O6 80.3(7) . .
O17 Dy7 O6 131.9(6) . .
O15 Dy7 O4 89.6(7) 2_655 .
O3 Dy7 O4 87.3(8) . .
O9 Dy7 O4 141.8(9) . .
O17 Dy7 O4 71.7(7) . .
O6 Dy7 O4 61.7(7) . .
O15 Dy7 N8 90.3(10) 2_655 .
O3 Dy7 N8 96.8(11) . .
O9 Dy7 N8 83.8(11) . .
O17 Dy7 N8 63.9(9) . .
O6 Dy7 N8 163.9(9) . .
O4 Dy7 N8 134.3(11) . .
O3 P1 O2 111.4(14) . .
O3 P1 O1 111.7(13) . .
O2 P1 O1 105.4(12) . .
O3 P1 C35 104.8(13) . .
O2 P1 C35 114.7(16) . .
O1 P1 C35 109.0(14) . .
O6 P2 O5 113.8(13) . .
O6 P2 O4 103.7(12) . .
O5 P2 O4 112.8(11) . .
O6 P2 C33 105.8(13) . .
O5 P2 C33 109.7(14) . .
O4 P2 C33 110.8(15) . .
O9 P3 O7 110.2(15) . .
O9 P3 O8 103.3(14) . .
O7 P3 O8 117.0(17) . .
O9 P3 C44 111(2) . .
O7 P3 C44 111.1(17) . .
O8 P3 C44 103.5(17) . .
O12 P4 O10 113.3(15) . .
O12 P4 O11 115.7(15) . .
O10 P4 O11 100.1(16) . .
O12 P4 C63 107(2) . .
O10 P4 C63 112.6(17) . .
O11 P4 C63 108(2) . .
O13 P5 O14 113.5(14) . .
O13 P5 O15 110.2(14) . .
O14 P5 O15 112.4(14) . .
O13 P5 C90 106.6(15) . .
O14 P5 C90 102.7(12) . .
O15 P5 C90 111.1(11) . .
O13 P5 C90' 105(2) . .
O14 P5 C90' 114.6(17) . .
O15 P5 C90' 100.0(11) . .
C90 P5 C90' 13.3(8) . .
O18 C1 C42 130(3) . .
O18 C1 C20 109(3) . .
C42 C1 C20 120(3) . .
C12 C2 C58 124(3) . .
C12 C2 H2A 117.9 . .
C58 C2 H2A 117.9 . .
C56 C3 C21 123(3) . .
C56 C3 H3A 118.6 . .
C21 C3 H3A 118.6 . .
C11 C4 C34 120(3) . .
C11 C4 H4A 119.8 . .
C34 C4 H4A 119.8 . .
C11 C5 C16 121(3) . .
C11 C5 C12 123(3) . .
C16 C5 C12 117(3) . .
N4 C6 C14 118(4) . .
N4 C6 O19 123(4) . .
C14 C6 O19 119(3) . .
O17 C7 N3 125(3) . .
O17 C7 C19 117(3) . .
N3 C7 C19 117(3) . .
C59 C8 N6 127(4) . .
C59 C8 C88 118(3) . .
N6 C8 C88 114(3) . .
N2 C9 C38 123(4) . .
N2 C9 H9A 118.5 . .
C38 C9 H9A 118.5 . .
C17 C10 C42 118(4) . .
C17 C10 H10A 121.0 . .
C42 C10 H10A 121.0 . .
C4 C11 C5 121(3) . .
C4 C11 H11A 119.3 . .
C5 C11 H11A 119.3 . .
C2 C12 C5 119(3) . .
C2 C12 H12A 120.7 . .
C5 C12 H12A 120.7 . .
C58 C13 C16 120(3) . .
C58 C13 H13A 119.9 . .
C16 C13 H13A 119.9 . .
C6 C14 N9 117(4) . .
C6 C14 C15 130(4) . .
N9 C14 C15 113(4) . .
N13 C15 C14 131(4) . .
N13 C15 H15A 114.5 . .
C14 C15 H15A 114.5 . .
C5 C16 C13 120(3) . .
C5 C16 C33 119(3) . .
C13 C16 C33 121(3) . .
C10 C17 C28 122(4) . .
C10 C17 H17A 119.0 . .
C28 C17 H17A 119.0 . .
N9 C18 C39 118(4) . .
N9 C18 H18A 121.2 . .
C39 C18 H18A 121.2 . .
N8 C19 C75 120(4) . .
N8 C19 C7 113(3) . .
C75 C19 C7 126(4) . .
O16 C20 C28 122(3) . .
O16 C20 C1 123(3) . .
C28 C20 C1 115(3) . .
C35 C21 C46 120(3) . .
C35 C21 C3 125(2) . .
C46 C21 C3 115(2) . .
N1 C22 C28 122(3) . .
N1 C22 H22A 118.8 . .
C28 C22 H22A 118.8 . .
N7 C23 C67 121(6) . .
N7 C23 C25 119(5) . .
C67 C23 C25 120(6) . .
C65 C24 C51 122(5) . .
C65 C24 H24A 118.8 . .
C51 C24 H24A 118.8 . .
N11 C25 O20 132(6) . .
N11 C25 C23 115(6) . .
O20 C25 C23 113(5) . .
C48 C26 C41 125(5) . .
C48 C26 H26A 117.3 . .
C41 C26 H26A 117.3 . .
C30 C27 C46 118(3) . .
C30 C27 H27A 120.9 . .
C46 C27 H27A 120.9 . .
C20 C28 C17 119(3) . .
C20 C28 C22 124(3) . .
C17 C28 C22 115(3) . .
N15 C29 C62 120(5) . .
N15 C29 H29A 120.2 . .
C62 C29 H29A 120.2 . .
C27 C30 C56 120(4) . .
C27 C30 H30A 119.9 . .
C56 C30 H30A 119.9 . .
N6 C31 C50 121(4) . .
N6 C31 H31A 119.3 . .
C50 C31 H31A 119.3 . .
C64 C32 C63 120(6) . .
C64 C32 H32A 119.8 . .
C63 C32 H32A 119.8 . .
C34 C33 C16 116(3) . .
C34 C33 P2 116(2) . .
C16 C33 P2 128(3) . .
C33 C34 C4 123(3) . .
C33 C34 H34A 118.7 . .
C4 C34 H34A 118.7 . .
C45 C35 C21 117(3) . .
C45 C35 P1 118.5(19) . .
C21 C35 P1 124.3(18) . .
C46 C36 C37 120(3) . .
C46 C36 H36A 119.9 . .
C37 C36 H36A 119.9 . .
C36 C37 C45 116(3) . .
C36 C37 H37A 122.0 . .
C45 C37 H37A 122.0 . .
N5 C38 C9 114(4) . .
N5 C38 H38A 122.8 . .
C9 C38 H38A 122.8 . .
N13 C39 C18 124(5) . .
N13 C39 H39A 118.2 . .
C18 C39 H39A 118.2 . .
C49 C40 C69 123(5) . .
C49 C40 H40A 118.7 . .
C69 C40 H40A 118.7 . .
C66 C41 C26 116(5) . .
C66 C41 H41A 122.2 . .
C26 C41 H41A 122.2 . .
C10 C42 C1 124(3) . .
C10 C42 H42A 118.0 . .
C1 C42 H42A 118.0 . .
C77 C43 H43A 109.5 . .
C77 C43 H43B 109.5 . .
H43A C43 H43B 109.5 . .
C77 C43 H43C 109.5 . .
H43A C43 H43C 109.5 . .
H43B C43 H43C 109.5 . .
C68 C44 C69 112(4) . .
C68 C44 P3 126(3) . .
C69 C44 P3 122(3) . .
C35 C45 C37 124(3) . .
C35 C45 H45A 117.9 . .
C37 C45 H45A 117.9 . .
C36 C46 C21 121(3) . .
C36 C46 C27 118(3) . .
C21 C46 C27 121(3) . .
N7 C47 C60 124(6) . .
N7 C47 H47A 118.0 . .
C60 C47 H47A 118.0 . .
C26 C48 C70 115(5) . .
C26 C48 C63 125(5) . .
C70 C48 C63 117(5) . .
C40 C49 C74 121(6) . .
C40 C49 H49A 119.3 . .
C74 C49 H49A 119.3 . .
N12 C50 C31 123(4) . .
N12 C50 H50A 118.3 . .
C31 C50 H50A 118.3 . .
C73 C51 C24 124(5) . .
C73 C51 C69 120(5) . .
C24 C51 C69 115(5) . .
N8 C52 C61 116(4) . .
N8 C52 H52A 121.8 . .
C61 C52 H52A 121.8 . .
C54 C53 N15 122(4) . .
C54 C53 C71 128(5) . .
N15 C53 C71 110(5) . .
N10 C54 O23 125(5) . .
N10 C54 C53 117(5) . .
O23 C54 C53 118(4) . .
O18 C55 H55A 109.5 . .
O18 C55 H55B 109.5 . .
H55A C55 H55B 109.5 . .
O18 C55 H55C 109.5 . .
H55A C55 H55C 109.5 . .
H55B C55 H55C 109.5 . .
C3 C56 C30 122(4) . .
C3 C56 H56A 118.9 . .
C30 C56 H56A 118.9 . .
C64 C57 C70 117(5) . .
C64 C57 H57A 121.5 . .
C70 C57 H57A 121.5 . .
C2 C58 C13 120(4) . .
C2 C58 H58A 119.9 . .
C13 C58 H58A 119.9 . .
N12 C59 C8 118(4) . .
N12 C59 H59A 121.0 . .
C8 C59 H59A 121.0 . .
N14 C60 C47 120(6) . .
N14 C60 H60A 120.2 . .
C47 C60 H60A 120.2 . .
N20 C61 C52 125(4) . .
N20 C61 H61A 117.6 . .
C52 C61 H61A 117.6 . .
N19 C62 C29 120(5) . .
N19 C62 H62A 120.1 . .
C29 C62 H62A 120.1 . .
C48 C63 C32 117(5) . .
C48 C63 P4 125(4) . .
C32 C63 P4 117(3) . .
C57 C64 C32 122(6) . .
C57 C64 H64A 119.1 . .
C32 C64 H64A 119.1 . .
C68 C65 C24 119(5) . .
C68 C65 H65A 120.4 . .
C24 C65 H65A 120.4 . .
C41 C66 C72 122(5) . .
C41 C66 H66A 119.1 . .
C72 C66 H66A 119.1 . .
N14 C67 C23 122(6) . .
N14 C67 H67A 119.0 . .
C23 C67 H67A 119.0 . .
C65 C68 C44 129(4) . .
C65 C68 H68A 115.6 . .
C44 C68 H68A 115.6 . .
C51 C69 C44 122(4) . .
C51 C69 C40 112(4) . .
C44 C69 C40 126(4) . .
C72 C70 C48 122(6) . .
C72 C70 C57 112(5) . .
C48 C70 C57 124(5) . .
N19 C71 C53 130(5) . .
N19 C71 H71A 115.2 . .
C53 C71 H71A 115.2 . .
C70 C72 C66 119(6) . .
C70 C72 H72A 120.5 . .
C66 C72 H72A 120.5 . .
C51 C73 C74 128(6) . .
C51 C73 H73A 115.8 . .
C74 C73 H73A 115.8 . .
C73 C74 C49 115(5) . .
C73 C74 H74A 122.6 . .
C49 C74 H74A 122.6 . .
N20 C75 C19 125(4) . .
N20 C75 H75A 117.6 . .
C19 C75 H75A 117.6 . .
C85 C76 O30 117(6) . .
C85 C76 O31 125(6) . .
O30 C76 O31 119(5) . .
O26 C77 O27 125(4) . .
O26 C77 C43 119(4) . .
O27 C77 C43 116(4) . .
O22 C78 N21 126(5) . .
O22 C78 C79 121(4) . .
N21 C78 C79 110(4) . .
N23 C79 C81 125(6) . .
N23 C79 C78 109(4) . .
C81 C79 C78 126(5) . .
O29 C80 O28 121(4) . .
O29 C80 C83 123(6) . .
O28 C80 C83 114(6) . .
N24 C81 C79 123(6) . .
N24 C81 H81A 118.5 . .
C79 C81 H81A 118.5 . .
C84 C82 N24 123(6) . .
C84 C82 H82A 118.5 . .
N24 C82 H82A 118.5 . .
C80 C83 H83A 109.5 . .
C80 C83 H83B 109.5 . .
H83A C83 H83B 109.5 . .
C80 C83 H83C 109.5 . .
H83A C83 H83C 109.5 . .
H83B C83 H83C 109.5 . .
C82 C84 N23 125(6) . .
C82 C84 H84A 117.7 . .
N23 C84 H84A 117.7 . .
C76 C85 H85A 109.5 . .
C76 C85 H85B 109.5 . .
H85A C85 H85B 109.5 . .
C76 C85 H85C 109.5 . .
H85A C85 H85C 109.5 . .
H85B C85 H85C 109.5 . .
N17 C86 C87 120(5) . .
N17 C86 H86A 120.2 . .
C87 C86 H86A 120.2 . .
N22 C87 C86 118(6) . .
N22 C87 H87A 121.1 . .
C86 C87 H87A 121.1 . .
N18 C88 O21 125(4) . .
N18 C88 C8 121(4) . .
O21 C88 C8 111(3) . .
C95' C90' C91' 121(3) . .
C95' C90' P5 119.5(14) . .
C91' C90' P5 119.0(13) . .
C94' C93' C92' 118(3) . .
C94' C93' H93B 120.9 . .
C92' C93' H93B 120.9 . .
C92' C91' C90' 118(3) . .
C92' C91' H91A 120.8 . .
C90' C91' H91A 120.8 . .
C93' C92' C91' 122(3) . .
C93' C92' H92A 119.1 . .
C91' C92' H92A 119.1 . .
C93' C94' C95' 122(3) . .
C93' C94' C111 118(3) . .
C95' C94' C111 120.0 . .
C94' C95' C108 120.0 . .
C94' C95' C90' 118(3) . .
C108 C95' C90' 122(3) . .
C109 C108 C95' 120.0 . .
C109 C108 H10B 120.0 . .
C95' C108 H10B 120.0 . .
C110 C109 C108 120.0 . .
C110 C109 H10C 120.0 . .
C108 C109 H10C 120.0 . .
C111 C110 C109 120.0 . .
C111 C110 H11B 120.0 . .
C109 C110 H11B 120.0 . .
C110 C111 C94' 120.0 . .
C110 C111 H11C 120.0 . .
C94' C111 H11C 120.0 . .
O25 C107 H10I 109.5 . .
O25 C107 H10J 109.5 . .
H10I C107 H10J 109.5 . .
O25 C107 H10K 109.5 . .
H10I C107 H10K 109.5 . .
H10J C107 H10K 109.5 . .
C95 C90 C91 122.9(13) . .
C95 C90 P5 118.4(7) . .
C91 C90 P5 118.6(7) . .
C94 C93 C92 116.9(13) . .
C94 C93 H93A 121.6 . .
C92 C93 H93A 121.6 . .
C93 C94 C95 123.0(13) . .
C93 C94 H94A 118.5 . .
C95 C94 H94A 118.5 . .
C90 C95 C94 116.9(13) . .
C90 C95 H95A 121.6 . .
C94 C95 H95A 121.5 . .
C106 C91 C92 119.7(4) . .
C106 C91 C90 123.3(13) . .
C92 C91 C90 116.7(12) . .
C103 C92 C91 120.0(4) . .
C103 C92 C93 116.3(13) . .
C91 C92 C93 122.9(13) . .
C104 C103 C92 119.8(5) . .
C104 C103 H10H 120.1 . .
C92 C103 H10H 120.1 . .
C105 C104 C103 120.0(5) . .
C105 C104 H10D 120.0 . .
C103 C104 H10D 120.0 . .
C106 C105 C104 119.8(5) . .
C106 C105 H10E 120.1 . .
C104 C105 H10E 120.1 . .
C105 C106 C91 120.2(5) . .
C105 C106 H10G 119.9 . .
C91 C106 H10G 119.9 . .
N16 C102 C96 120(5) . .
N16 C102 H10F 119.9 . .
C96 C102 H10F 119.9 . .
C97 C96 C101 120.1(5) . .
C97 C96 C102 124(3) . .
C101 C96 C102 115(3) . .
O24 C97 C96 120.1(7) . .
O24 C97 C98 119.9(6) . .
C96 C97 C98 119.9(6) . .
O25 C98 C99 123(3) . .
O25 C98 C97 115(2) . .
C99 C98 C97 120.1(7) . .
C98 C99 C100 119.9(6) . .
C98 C99 H99A 120.1 . .
C100 C99 H99A 120.1 . .
C99 C100 C101 120.0(5) . .
C99 C100 H10L 120.0 . .
C101 C100 H10L 120.0 . .
C96 C101 C100 119.9(5) . .
C96 C101 H10M 120.1 . .
C100 C101 H10M 120.1 . .
C22 N1 N3 108(2) . .
C22 N1 Dy1 131(2) . .
N3 N1 Dy1 121.3(17) . .
C9 N2 N11 114(3) . .
C9 N2 Dy2 121(3) . .
N11 N2 Dy2 123(2) . .
C7 N3 N1 108(2) . .
C6 N4 N5 111(3) . .
N4 N5 C38 117(4) . .
N4 N5 Dy2 123(2) . .
C38 N5 Dy2 120(3) . .
C31 N6 C8 113(4) . .
C31 N6 Dy3 127(2) . .
C8 N6 Dy3 119(2) . .
C23 N7 C47 115(5) . .
C23 N7 Dy3 116(4) . .
C47 N7 Dy3 129(4) . .
C19 N8 C52 121(3) . .
C19 N8 Dy7 119(3) . .
C52 N8 Dy7 120(3) . .
C14 N9 C18 120(3) . .
C14 N9 Dy1 115(3) . .
C18 N9 Dy1 124(2) . .
C54 N10 N16 106(5) . .
C25 N11 N2 108(4) . .
C59 N12 C50 117(4) . .
C15 N13 C39 114(4) . .
C60 N14 C67 118(5) . .
C29 N15 C53 125(5) . .
C29 N15 Dy6 123(3) . .
C53 N15 Dy6 111(3) . .
C102 N16 N10 103(4) . .
C102 N16 Dy5 134(4) . .
N10 N16 Dy5 121(3) . .
C86 N17 N18 113(5) . .
C86 N17 Dy4 120(4) . .
N18 N17 Dy4 127(3) . .
C88 N18 N17 109(4) . .
C71 N19 C62 115(5) . .
C75 N20 C61 112(4) . .
C78 N21 N22 106(4) . .
C87 N22 N21 114(5) . .
C87 N22 Dy4 121(4) . .
N21 N22 Dy4 125(3) . .
C79 N23 C84 112(5) . .
C79 N23 Dy5 120(3) . .
C84 N23 Dy5 129(4) . .
C81 N24 C82 113(5) . .
P1 O1 Dy1 140.6(11) . .
P1 O1 Dy2 96.6(11) . .
Dy1 O1 Dy2 115.6(7) . .
P1 O2 Dy3 143.5(14) . .
P1 O2 Dy2 96.2(12) . .
Dy3 O2 Dy2 112.7(9) . .
P1 O3 Dy7 133.7(16) . .
P2 O4 Dy7 94.8(11) . .
P2 O4 Dy1 140.3(12) . .
Dy7 O4 Dy1 107.4(8) . .
P2 O5 Dy2 142.7(13) . .
P2 O6 Dy6 158.7(11) . .
P2 O6 Dy7 97.5(9) . .
Dy6 O6 Dy7 103.7(6) . .
P3 O7 Dy4 138.4(18) . .
P3 O8 Dy6 103.5(13) . .
P3 O8 Dy5 136.2(15) . .
Dy6 O8 Dy5 108.1(11) . .
P3 O9 Dy7 156.0(15) . .
P3 O9 Dy6 92.2(12) . .
Dy7 O9 Dy6 97.7(8) . .
P4 O10 Dy3 145.0(19) . .
P4 O10 Dy4 98.3(13) . .
Dy3 O10 Dy4 115.5(11) . .
P4 O11 Dy5 130.5(16) . .
P4 O11 Dy4 99.7(12) . .
Dy5 O11 Dy4 118.0(11) . .
P4 O12 Dy6 137.1(12) . .
P5 O13 Dy1 170.6(13) . .
P5 O14 Dy6 145.5(14) . 2_655
P5 O15 Dy7 129.0(16) . 2_655
C20 O16 Dy1 138(2) . .
C7 O17 Dy7 125(2) . .
C7 O17 Dy1 124(2) . .
Dy7 O17 Dy1 109.2(8) . .
C1 O18 C55 118(3) . .
C6 O19 Dy1 124(2) . .
C6 O19 Dy2 118(2) . .
Dy1 O19 Dy2 112.1(9) . .
C25 O20 Dy3 126(3) . .
C25 O20 Dy2 115(3) . .
Dy3 O20 Dy2 110.3(9) . .
C88 O21 Dy3 121(2) . .
C88 O21 Dy4 115(3) . .
Dy3 O21 Dy4 108.1(11) . .
C78 O22 Dy5 126(3) . .
C78 O22 Dy4 123(3) . .
Dy5 O22 Dy4 108.9(13) . .
C54 O23 Dy5 121(3) . .
C54 O23 Dy6 124(3) . .
Dy5 O23 Dy6 110.1(13) . .
C97 O24 Dy5 148(2) . .
C98 O25 C107 116.6(12) . .
C77 O26 Dy2 142(3) . .
C77 O27 Dy3 136(3) . .
C80 O28 Dy6 137(3) . .
C80 O29 Dy5 140(4) . .
C76 O30 Dy3 135(4) . .
C76 O31 Dy4 150(4) . .
Dy2 O2W H2WA 109.5 . .
Dy2 O2W H2WB 108.6 . .
H2WA O2W H2WB 109.5 . .
Dy4 O1W H1WA 109.4 . .
Dy4 O1W H1WB 108.9 . .
H1WA O1W H1WB 109.5 . .
H4WA O4W H4WB 109.5 . .
H3WA O3W H3WB 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O13 2.23(2) .
Dy1 O1 2.28(2) .
Dy1 O16 2.280(18) .
Dy1 O19 2.36(2) .
Dy1 O17 2.409(19) .
Dy1 O4 2.42(2) .
Dy1 N1 2.55(2) .
Dy1 N9 2.65(3) .
Dy2 O5 2.253(18) .
Dy2 O26 2.36(2) .
Dy2 O2W 2.42(2) .
Dy2 O1 2.532(19) .
Dy2 O19 2.55(3) .
Dy2 O2 2.56(2) .
Dy2 O20 2.57(3) .
Dy2 N2 2.58(3) .
Dy2 N5 2.62(3) .
Dy3 O2 2.28(3) .
Dy3 O10 2.28(2) .
Dy3 O30 2.33(3) .
Dy3 O20 2.33(3) .
Dy3 O27 2.37(3) .
Dy3 O21 2.40(3) .
Dy3 N7 2.57(4) .
Dy3 N6 2.59(3) .
Dy4 O7 2.26(3) .
Dy4 O31 2.26(4) .
Dy4 O1W 2.28(6) .
Dy4 O11 2.46(3) .
Dy4 O10 2.51(3) .
Dy4 O22 2.59(3) .
Dy4 N22 2.59(5) .
Dy4 N17 2.60(4) .
Dy4 O21 2.60(3) .
Dy5 O24 2.14(3) .
Dy5 O29 2.23(4) .
Dy5 O11 2.28(2) .
Dy5 O23 2.28(3) .
Dy5 O8 2.37(3) .
Dy5 O22 2.40(4) .
Dy5 N16 2.45(5) .
Dy5 N23 2.55(5) .
Dy6 O14 2.24(2) 2_655
Dy6 O8 2.31(2) .
Dy6 O23 2.34(3) .
Dy6 O6 2.362(18) .
Dy6 O12 2.36(2) .
Dy6 O28 2.39(3) .
Dy6 O9 2.62(2) .
Dy6 N15 2.64(4) .
Dy7 O15 2.20(2) 2_655
Dy7 O3 2.24(2) .
Dy7 O9 2.32(3) .
Dy7 O17 2.32(2) .
Dy7 O6 2.369(17) .
Dy7 O4 2.37(2) .
Dy7 N8 2.54(3) .
P1 O3 1.49(2) .
P1 O2 1.51(3) .
P1 O1 1.54(2) .
P1 C35 1.78(3) .
P2 O6 1.500(19) .
P2 O5 1.51(2) .
P2 O4 1.59(3) .
P2 C33 1.79(3) .
P3 O9 1.50(3) .
P3 O7 1.50(2) .
P3 O8 1.55(3) .
P3 C44 1.76(5) .
P4 O12 1.45(2) .
P4 O10 1.53(3) .
P4 O11 1.55(3) .
P4 C63 1.77(5) .
P5 O13 1.47(2) .
P5 O14 1.52(3) .
P5 O15 1.53(2) .
P5 C90 1.804(9) .
P5 C90' 1.814(10) .
C1 O18 1.31(4) .
C1 C42 1.36(5) .
C1 C20 1.43(5) .
C2 C12 1.32(5) .
C2 C58 1.35(4) .
C2 H2A 0.9500 .
C3 C56 1.29(5) .
C3 C21 1.44(4) .
C3 H3A 0.9500 .
C4 C11 1.31(4) .
C4 C34 1.40(4) .
C4 H4A 0.9500 .
C5 C11 1.36(5) .
C5 C16 1.40(4) .
C5 C12 1.48(4) .
C6 N4 1.28(5) .
C6 C14 1.34(5) .
C6 O19 1.36(4) .
C7 O17 1.27(3) .
C7 N3 1.33(4) .
C7 C19 1.48(5) .
C8 C59 1.345(17) .
C8 N6 1.347(17) .
C8 C88 1.53(6) .
C9 N2 1.25(4) .
C9 C38 1.39(5) .
C9 H9A 0.9500 .
C10 C17 1.33(5) .
C10 C42 1.35(5) .
C10 H10A 0.9500 .
C11 H11A 0.9500 .
C12 H12A 0.9500 .
C13 C58 1.35(4) .
C13 C16 1.42(5) .
C13 H13A 0.9500 .
C14 N9 1.35(4) .
C14 C15 1.41(6) .
C15 N13 1.26(5) .
C15 H15A 0.9500 .
C16 C33 1.47(4) .
C17 C28 1.43(5) .
C17 H17A 0.9500 .
C18 N9 1.37(5) .
C18 C39 1.43(6) .
C18 H18A 0.9500 .
C19 N8 1.31(5) .
C19 C75 1.34(5) .
C20 O16 1.28(4) .
C20 C28 1.42(5) .
C21 C35 1.413(15) .
C21 C46 1.413(15) .
C22 N1 1.29(4) .
C22 C28 1.48(4) .
C22 H22A 0.9500 .
C23 N7 1.31(6) .
C23 C67 1.40(7) .
C23 C25 1.48(7) .
C24 C65 1.38(6) .
C24 C51 1.39(6) .
C24 H24A 0.9500 .
C25 N11 1.28(5) .
C25 O20 1.33(6) .
C26 C48 1.40(2) .
C26 C41 1.40(2) .
C26 H26A 0.9500 .
C27 C30 1.35(5) .
C27 C46 1.44(5) .
C27 H27A 0.9500 .
C29 N15 1.35(2) .
C29 C62 1.35(2) .
C29 H29A 0.9500 .
C30 C56 1.39(5) .
C30 H30A 0.9500 .
C31 N6 1.345(17) .
C31 C50 1.346(17) .
C31 H31A 0.9500 .
C32 C64 1.39(6) .
C32 C63 1.48(6) .
C32 H32A 0.9500 .
C33 C34 1.37(5) .
C34 H34A 0.9500 .
C35 C45 1.409(15) .
C36 C46 1.410(15) .
C36 C37 1.411(15) .
C36 H36A 0.9500 .
C37 C45 1.413(15) .
C37 H37A 0.9500 .
C38 N5 1.38(5) .
C38 H38A 0.9500 .
C39 N13 1.28(6) .
C39 H39A 0.9500 .
C40 C49 1.37(6) .
C40 C69 1.51(6) .
C40 H40A 0.9500 .
C41 C66 1.40(2) .
C41 H41A 0.9500 .
C42 H42A 0.9500 .
C43 C77 1.51(5) .
C43 H43A 0.9800 .
C43 H43B 0.9800 .
C43 H43C 0.9800 .
C44 C68 1.36(5) .
C44 C69 1.50(6) .
C45 H45A 0.9500 .
C47 N7 1.34(6) .
C47 C60 1.37(7) .
C47 H47A 0.9500 .
C48 C70 1.40(2) .
C48 C63 1.42(6) .
C49 C74 1.45(8) .
C49 H49A 0.9500 .
C50 N12 1.346(17) .
C50 H50A 0.9500 .
C51 C73 1.34(6) .
C51 C69 1.48(6) .
C52 N8 1.33(5) .
C52 C61 1.40(5) .
C52 H52A 0.9500 .
C53 C54 1.34(6) .
C53 N15 1.35(2) .
C53 C71 1.35(2) .
C54 N10 1.30(6) .
C54 O23 1.33(5) .
C55 O18 1.47(4) .
C55 H55A 0.9800 .
C55 H55B 0.9800 .
C55 H55C 0.9800 .
C56 H56A 0.9500 .
C57 C64 1.37(8) .
C57 C70 1.41(7) .
C57 H57A 0.9500 .
C58 H58A 0.9500 .
C59 N12 1.344(17) .
C59 H59A 0.9500 .
C60 N14 1.30(6) .
C60 H60A 0.9500 .
C61 N20 1.37(5) .
C61 H61A 0.9500 .
C62 N19 1.35(2) .
C62 H62A 0.9500 .
C64 H64A 0.9500 .
C65 C68 1.35(5) .
C65 H65A 0.9500 .
C66 C72 1.40(2) .
C66 H66A 0.9500 .
C67 N14 1.30(6) .
C67 H67A 0.9500 .
C68 H68A 0.9500 .
C70 C72 1.40(2) .
C71 N19 1.35(2) .
C71 H71A 0.9500 .
C72 H72A 0.9500 .
C73 C74 1.35(7) .
C73 H73A 0.9500 .
C74 H74A 0.9500 .
C75 N20 1.34(5) .
C75 H75A 0.9500 .
C76 C85 1.24(6) .
C76 O30 1.35(6) .
C76 O31 1.36(6) .
C77 O26 1.23(5) .
C77 O27 1.25(5) .
C78 O22 1.16(5) .
C78 N21 1.40(7) .
C78 C79 1.46(7) .
C79 N23 1.36(2) .
C79 C81 1.36(2) .
C80 O29 1.22(7) .
C80 O28 1.35(6) .
C80 C83 1.48(6) .
C81 N24 1.36(2) .
C81 H81A 0.9500 .
C82 C84 1.36(2) .
C82 N24 1.36(2) .
C82 H82A 0.9500 .
C83 H83A 0.9800 .
C83 H83B 0.9800 .
C83 H83C 0.9800 .
C84 N23 1.36(2) .
C84 H84A 0.9500 .
C85 H85A 0.9800 .
C85 H85B 0.9800 .
C85 H85C 0.9800 .
C86 N17 1.27(6) .
C86 C87 1.42(7) .
C86 H86A 0.9500 .
C87 N22 1.28(6) .
C87 H87A 0.9500 .
C88 N18 1.22(5) .
C88 O21 1.43(4) .
C90' C95' 1.394(7) .
C90' C91' 1.394(7) .
C93' C94' 1.389(7) .
C93' C92' 1.390(7) .
C93' H93B 0.9500 .
C91' C92' 1.390(7) .
C91' H91A 0.9500 .
C92' H92A 0.9500 .
C94' C95' 1.3900 .
C94' C111 1.3900 .
C95' C108 1.3900 .
C108 C109 1.3900 .
C108 H10B 0.9500 .
C109 C110 1.3900 .
C109 H10C 0.9500 .
C110 C111 1.3900 .
C110 H11B 0.9501 .
C111 H11C 0.9500 .
C107 O25 1.515(10) .
C107 H10I 0.9800 .
C107 H10J 0.9800 .
C107 H10K 0.9800 .
C90 C95 1.452(7) .
C90 C91 1.452(7) .
C93 C94 1.452(7) .
C93 C92 1.452(7) .
C93 H93A 0.9500 .
C94 C95 1.452(7) .
C94 H94A 0.9500 .
C95 H95A 0.9500 .
C91 C106 1.451(10) .
C91 C92 1.452(7) .
C92 C103 1.451(9) .
C103 C104 1.451(10) .
C103 H10H 0.9500 .
C104 C105 1.451(10) .
C104 H10D 0.9500 .
C105 C106 1.450(10) .
C105 H10E 0.9500 .
C106 H10G 0.9500 .
C102 N16 1.301(10) .
C102 C96 1.499(10) .
C102 H10F 0.9500 .
C96 C97 1.39(2) .
C96 C101 1.39(2) .
C97 O24 1.299(10) .
C97 C98 1.39(2) .
C98 O25 1.301(10) .
C98 C99 1.39(2) .
C99 C100 1.39(2) .
C99 H99A 0.9500 .
C100 C101 1.39(2) .
C100 H10L 0.9500 .
C101 H10M 0.9500 .
N1 N3 1.43(3) .
N2 N11 1.40(5) .
N4 N5 1.35(4) .
N10 N16 1.46(6) .
N17 N18 1.38(5) .
N21 N22 1.42(6) .
O14 Dy6 2.24(2) 2_655
O15 Dy7 2.20(2) 2_655
O2W H2WA 0.8498 .
O2W H2WB 0.8500 .
O1W H1WA 0.8501 .
O1W H1WB 0.8501 .
O4W H4WA 0.8495 .
O4W H4WB 0.8501 .
O3W H3WA 0.8502 .
O3W H3WB 0.8499 .
