#------------------------------------------------------------------------------
#$Date: 2023-03-04 20:00:20 +0200 (Sat, 04 Mar 2023) $
#$Revision: 281382 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/83/1568333.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_1568333
loop_
_publ_author_name
'Huang, Xin-Da'
'Hong, Ben-Kun'
'Wen, Ge-Hua'
'Li, Shu-Hua'
'Zheng, Li-Min'
_publ_section_title
;
 Photo-controllable heterostructured crystals of metal-organic frameworks
 via reversible photocycloaddition.
;
_journal_issue                   7
_journal_name_full               'Chemical science'
_journal_page_first              1852
_journal_page_last               1860
_journal_paper_doi               10.1039/d2sc06732c
_journal_volume                  14
_journal_year                    2023
_chemical_formula_moiety         'C57 H63 Dy N3 O18 P3, (C19 H21 O3 P)'
_chemical_formula_sum            'C76 H84 Dy N3 O21 P4'
_chemical_formula_weight         1661.84
_chemical_name_systematic        '[Dy(NO3)3(depma2)1.5].(depma2)0.5'
_chemical_properties_physical    Heat-sensitive,Light-sensitive,Photo-sensitive
_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   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-10-20 deposited with the CCDC.	2023-01-27 downloaded from the CCDC.
;
_cell_angle_alpha                90.470(6)
_cell_angle_beta                 97.255(4)
_cell_angle_gamma                93.184(6)
_cell_formula_units_Z            2
_cell_length_a                   12.0168(18)
_cell_length_b                   13.485(2)
_cell_length_c                   23.445(3)
_cell_measurement_reflns_used    9989
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      27.065
_cell_measurement_theta_min      2.2185
_cell_volume                     3762.5(9)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0624
_diffrn_reflns_av_unetI/netI     0.0932
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            34654
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.214
_diffrn_reflns_theta_min         2.218
_exptl_absorpt_coefficient_mu    1.154
_exptl_absorpt_correction_T_max  0.893
_exptl_absorpt_correction_T_min  0.630
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2016/2'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.467
_exptl_crystal_description       rod
_exptl_crystal_F_000             1710
_exptl_crystal_preparation       Luminescent,mechanical
_exptl_crystal_recrystallization_method desolvation
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.100
_refine_diff_density_max         2.269
_refine_diff_density_min         -1.491
_refine_diff_density_rms         0.136
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1039
_refine_ls_number_reflns         16588
_refine_ls_number_restraints     917
_refine_ls_restrained_S_all      1.126
_refine_ls_R_factor_all          0.0921
_refine_ls_R_factor_gt           0.0690
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0958P)²+5.6042P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1765
_refine_ls_wR_factor_ref         0.1954
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12746
_reflns_number_total             16588
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2sc06732c8.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 1568332--1568335.cif.'
_cod_original_cell_volume        3762.6(10)
_cod_database_code               1568333
_shelx_shelxl_version_number     2018/3
_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   0.655
_shelx_estimated_absorpt_t_max   0.893
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 0.70264(2) 0.82103(2) 0.25113(2) 0.03050(10) Uani 1 1 d . . . . .
P1 P 0.76179(13) 0.63974(13) 0.13744(6) 0.0333(3) Uani 1 1 d . U . . .
P2 P 0.90413(14) 0.98772(15) 0.18226(6) 0.0401(4) Uani 1 1 d . U . . .
P3 P 0.55547(18) 1.02412(16) 0.31035(7) 0.0488(4) Uani 1 1 d . U . . .
C1 C 0.6733(4) 0.6565(5) 0.0708(2) 0.0292(10) Uani 1 1 d . U . . .
H1A H 0.625077 0.711903 0.076732 0.035 Uiso 1 1 calc R U . . .
H1B H 0.722713 0.678755 0.042041 0.035 Uiso 1 1 calc R U . . .
C2 C 0.5954(4) 0.5682(5) 0.0433(2) 0.0275(9) Uani 1 1 d . U . . .
C3 C 0.6607(4) 0.4825(5) 0.0254(2) 0.0302(9) Uani 1 1 d . U . . .
C4 C 0.7762(5) 0.4899(5) 0.0219(3) 0.0386(12) Uani 1 1 d . U . . .
H4 H 0.818219 0.550943 0.031009 0.046 Uiso 1 1 calc R U . . .
C5 C 0.8292(5) 0.4080(6) 0.0050(3) 0.0496(13) Uani 1 1 d . U . . .
H5 H 0.907876 0.413168 0.003119 0.059 Uiso 1 1 calc R U . . .
C6 C 0.7703(6) 0.3199(6) -0.0091(4) 0.0540(14) Uani 1 1 d . U . . .
H6 H 0.807693 0.264139 -0.020397 0.065 Uiso 1 1 calc R U . . .
C7 C 0.6556(5) 0.3123(6) -0.0068(3) 0.0461(13) Uani 1 1 d . U . . .
H7 H 0.614087 0.251294 -0.016823 0.055 Uiso 1 1 calc R U . . .
C8 C 0.6015(5) 0.3932(5) 0.0102(3) 0.0341(10) Uani 1 1 d . U . . .
C9 C 0.4767(4) 0.3873(5) 0.0136(2) 0.0297(10) Uani 1 1 d . U . . .
H9 H 0.452257 0.315548 0.016052 0.036 Uiso 1 1 calc R U . . .
C10 C 0.4568(5) 0.4376(5) 0.0685(2) 0.0332(10) Uani 1 1 d . U . . .
C11 C 0.3819(6) 0.3971(6) 0.1035(3) 0.0439(13) Uani 1 1 d . U . . .
H11 H 0.344663 0.334140 0.093730 0.053 Uiso 1 1 calc R U . . .
C12 C 0.3606(6) 0.4466(6) 0.1520(3) 0.0543(14) Uani 1 1 d . U . . .
H12 H 0.310225 0.417365 0.176013 0.065 Uiso 1 1 calc R U . . .
C13 C 0.4134(6) 0.5399(6) 0.1658(3) 0.0561(14) Uani 1 1 d . U . . .
H13 H 0.396531 0.576237 0.198190 0.067 Uiso 1 1 calc R U . . .
C14 C 0.4898(6) 0.5785(6) 0.1321(3) 0.0456(13) Uani 1 1 d . U . . .
H14 H 0.527652 0.641032 0.142299 0.055 Uiso 1 1 calc R U . . .
C15 C 0.5136(5) 0.5286(5) 0.0833(2) 0.0321(10) Uani 1 1 d . U . . .
C16 C 0.7190(8) 0.4886(7) 0.2057(3) 0.0641(17) Uani 1 1 d . U . . .
H16A H 0.680461 0.422402 0.196878 0.077 Uiso 1 1 calc R U . . .
H16B H 0.664081 0.532860 0.218845 0.077 Uiso 1 1 calc R U . . .
C17 C 0.8135(11) 0.4797(9) 0.2517(5) 0.105(3) Uani 1 1 d . U . . .
H17A H 0.866762 0.434382 0.239075 0.158 Uiso 1 1 calc R U . . .
H17B H 0.784864 0.453597 0.286311 0.158 Uiso 1 1 calc R U . . .
H17C H 0.851523 0.545240 0.260462 0.158 Uiso 1 1 calc R U . . .
C18 C 0.9796(6) 0.6486(7) 0.1641(4) 0.0635(17) Uani 1 1 d . U . . .
H18A H 1.010758 0.713819 0.180242 0.076 Uiso 1 1 calc R U . . .
H18B H 0.955465 0.608167 0.195866 0.076 Uiso 1 1 calc R U . . .
C19 C 1.0621(9) 0.6009(12) 0.1394(5) 0.120(3) Uani 1 1 d . U . . .
H19A H 1.032576 0.534665 0.125516 0.179 Uiso 1 1 calc R U . . .
H19B H 1.127872 0.594687 0.168169 0.179 Uiso 1 1 calc R U . . .
H19C H 1.084006 0.639836 0.107050 0.179 Uiso 1 1 calc R U . . .
C20 C 0.9782(5) 0.9358(5) 0.1281(2) 0.0338(10) Uani 1 1 d . U . . .
H20A H 1.058095 0.935266 0.144711 0.041 Uiso 1 1 calc R U . . .
H20B H 0.950211 0.865548 0.122474 0.041 Uiso 1 1 calc R U . . .
C21 C 0.9761(4) 0.9809(5) 0.0678(2) 0.0298(10) Uani 1 1 d . U . . .
C22 C 0.8581(4) 0.9791(5) 0.0349(2) 0.0283(9) Uani 1 1 d . U . . .
C23 C 0.7664(4) 0.9263(5) 0.0522(2) 0.0317(11) Uani 1 1 d . U . . .
H23 H 0.775825 0.888120 0.086204 0.038 Uiso 1 1 calc R U . . .
C24 C 0.6614(5) 0.9284(5) 0.0207(3) 0.0379(12) Uani 1 1 d . U . . .
H24 H 0.598929 0.892488 0.033245 0.045 Uiso 1 1 calc R U . . .
C25 C 0.6473(5) 0.9832(5) -0.0295(3) 0.0407(12) Uani 1 1 d . U . . .
H25 H 0.575184 0.985669 -0.051127 0.049 Uiso 1 1 calc R U . . .
C26 C 0.7395(5) 1.0339(5) -0.0474(3) 0.0372(11) Uani 1 1 d . U . . .
H26 H 0.730890 1.070241 -0.082085 0.045 Uiso 1 1 calc R U . . .
C27 C 0.8437(4) 1.0324(5) -0.0155(2) 0.0310(10) Uani 1 1 d . U . . .
C28 C 0.9453(4) 1.0876(5) -0.0340(2) 0.0303(10) Uani 1 1 d . U . . .
H28 H 0.917094 1.139904 -0.061247 0.036 Uiso 1 1 calc R U . . .
C29 C 1.0092(4) 1.1403(5) 0.0177(2) 0.0305(9) Uani 1 1 d . U . . .
C30 C 1.0507(5) 1.2374(5) 0.0154(3) 0.0362(11) Uani 1 1 d . U . . .
H30 H 1.039508 1.272288 -0.019715 0.043 Uiso 1 1 calc R U . . .
C31 C 1.1087(5) 1.2848(6) 0.0641(3) 0.0439(12) Uani 1 1 d . U . . .
H31 H 1.136659 1.351895 0.062650 0.053 Uiso 1 1 calc R U . . .
C32 C 1.1248(5) 1.2328(6) 0.1143(3) 0.0446(13) Uani 1 1 d . U . . .
H32 H 1.164653 1.264162 0.147826 0.054 Uiso 1 1 calc R U . . .
C33 C 1.0839(5) 1.1360(5) 0.1167(3) 0.0383(11) Uani 1 1 d . U . . .
H33 H 1.096771 1.101357 0.151814 0.046 Uiso 1 1 calc R U . . .
C34 C 1.0246(4) 1.0878(5) 0.0691(2) 0.0300(9) Uani 1 1 d . U . . .
C35 C 1.0031(8) 1.0652(8) 0.2803(3) 0.0735(19) Uani 1 1 d . U . . .
H35A H 0.937503 1.040836 0.298899 0.088 Uiso 1 1 calc R U . . .
H35B H 0.994261 1.136160 0.271301 0.088 Uiso 1 1 calc R U . . .
C36 C 1.1042(10) 1.0560(10) 0.3196(5) 0.106(3) Uani 1 1 d . U . . .
H36A H 1.102433 0.990369 0.337235 0.160 Uiso 1 1 calc R U . . .
H36B H 1.109305 1.107563 0.349660 0.160 Uiso 1 1 calc R U . . .
H36C H 1.169667 1.063747 0.298643 0.160 Uiso 1 1 calc R U . . .
C37 C 0.7383(8) 1.1064(8) 0.1600(4) 0.0766(19) Uani 1 1 d . U . . .
H37A H 0.690471 1.045159 0.149581 0.092 Uiso 1 1 calc R U . . .
H37B H 0.724809 1.128051 0.198851 0.092 Uiso 1 1 calc R U . . .
C38 C 0.7070(12) 1.1812(11) 0.1203(6) 0.120(4) Uani 1 1 d . U . . .
H38A H 0.742880 1.245182 0.134575 0.180 Uiso 1 1 calc R U . . .
H38B H 0.625163 1.185146 0.115703 0.180 Uiso 1 1 calc R U . . .
H38C H 0.731176 1.165114 0.083097 0.180 Uiso 1 1 calc R U . . .
C39 C 0.4958(6) 0.9597(5) 0.3668(2) 0.0413(8) Uani 1 1 d . U . . .
H39A H 0.414040 0.951154 0.354019 0.050 Uiso 1 1 calc R U . . .
H39B H 0.524757 0.892408 0.367466 0.050 Uiso 1 1 calc R U . . .
C40 C 0.5080(5) 0.9957(5) 0.4293(2) 0.0346(7) Uani 1 1 d . U . . .
C41 C 0.6306(5) 1.0119(5) 0.4570(3) 0.0347(8) Uani 1 1 d . U . . .
C42 C 0.7193(5) 0.9748(5) 0.4333(3) 0.0383(9) Uani 1 1 d . U . . .
H42 H 0.705125 0.939230 0.397756 0.046 Uiso 1 1 calc R U . . .
C43 C 0.8275(5) 0.9879(6) 0.4600(3) 0.0428(10) Uani 1 1 d . U . . .
H43 H 0.887767 0.961705 0.443246 0.051 Uiso 1 1 calc R U . . .
C44 C 0.8476(5) 1.0408(6) 0.5124(3) 0.0441(10) Uani 1 1 d . U . . .
H44 H 0.922177 1.051550 0.531253 0.053 Uiso 1 1 calc R U . . .
C45 C 0.7582(5) 1.0775(5) 0.5368(3) 0.0408(9) Uani 1 1 d . U . . .
H45 H 0.771765 1.113737 0.572130 0.049 Uiso 1 1 calc R U . . .
C46 C 0.6501(5) 1.0613(5) 0.5097(3) 0.0351(8) Uani 1 1 d . U . . .
C47 C 0.5514(4) 1.0931(5) 0.5370(2) 0.0334(8) Uani 1 1 d . U . . .
H47 H 0.579857 1.146158 0.566116 0.040 Uiso 1 1 calc R U . . .
C48 C 0.4705(5) 1.1395(5) 0.4920(2) 0.0342(8) Uani 1 1 d . U . . .
C49 C 0.4156(5) 1.2241(5) 0.5036(3) 0.0384(9) Uani 1 1 d . U . . .
H49 H 0.431036 1.255949 0.540305 0.046 Uiso 1 1 calc R U . . .
C50 C 0.3390(5) 1.2617(5) 0.4620(3) 0.0424(9) Uani 1 1 d . U . . .
H50 H 0.300705 1.318988 0.470049 0.051 Uiso 1 1 calc R U . . .
C51 C 0.3177(5) 1.2160(5) 0.4084(3) 0.0439(10) Uani 1 1 d . U . . .
H51 H 0.265648 1.242682 0.379491 0.053 Uiso 1 1 calc R U . . .
C52 C 0.3719(5) 1.1314(5) 0.3967(3) 0.0409(9) Uani 1 1 d . U . . .
H52 H 0.355946 1.100463 0.359785 0.049 Uiso 1 1 calc R U . . .
C53 C 0.4484(5) 1.0917(5) 0.4376(3) 0.0351(8) Uani 1 1 d . U . . .
C54 C 0.6925(10) 1.1647(8) 0.3427(5) 0.0853(14) Uani 1 1 d D U . . .
H54A H 0.746172 1.124778 0.325049 0.102 Uiso 1 1 calc R U . . .
H54B H 0.714387 1.167284 0.384872 0.102 Uiso 1 1 calc R U . . .
C55 C 0.6921(11) 1.2667(8) 0.3190(5) 0.106(2) Uani 1 1 d D U . . .
H55A H 0.745243 1.272935 0.290598 0.159 Uiso 1 1 calc R U . . .
H55B H 0.714265 1.315304 0.350222 0.159 Uiso 1 1 calc R U . . .
H55C H 0.616434 1.279060 0.300490 0.159 Uiso 1 1 calc R U . . .
C56 C 0.4475(9) 1.0815(8) 0.2142(4) 0.0815(14) Uani 1 1 d D U . . .
H56A H 0.426877 1.028077 0.184985 0.098 Uiso 1 1 calc R U . . .
H56B H 0.525504 1.106408 0.211060 0.098 Uiso 1 1 calc R U . . .
C57 C 0.3739(10) 1.1608(9) 0.2025(5) 0.104(2) Uani 1 1 d D U . . .
H57A H 0.296990 1.133098 0.191266 0.156 Uiso 1 1 calc R U . . .
H57B H 0.398057 1.200885 0.171163 0.156 Uiso 1 1 calc R U . . .
H57C H 0.376094 1.202559 0.237072 0.156 Uiso 1 1 calc R U . . .
C59 C 0.0411(8) 0.5341(6) 0.4386(4) 0.062(2) Uani 1 1 d D . . . .
C60 C 0.0219(7) 0.4216(7) 0.4318(4) 0.066(2) Uani 1 1 d . . . . .
C61 C -0.0033(13) 0.3747(11) 0.3805(6) 0.122(5) Uani 1 1 d . . . . .
H61 H -0.013259 0.411487 0.346022 0.146 Uiso 1 1 calc R U . . .
C62 C -0.0138(19) 0.2764(17) 0.3790(10) 0.199(11) Uani 1 1 d . . . . .
H62 H -0.026568 0.244493 0.342338 0.239 Uiso 1 1 calc R U . . .
C63 C -0.0079(17) 0.2189(11) 0.4251(12) 0.193(12) Uani 1 1 d . . . . .
H63 H -0.027424 0.149686 0.421943 0.231 Uiso 1 1 calc R U . . .
C64 C 0.0293(12) 0.2663(8) 0.4799(7) 0.114(5) Uani 1 1 d . . . . .
H64 H 0.046119 0.228081 0.513421 0.137 Uiso 1 1 calc R U . . .
C65 C 0.0399(7) 0.3682(6) 0.4825(4) 0.060(2) Uani 1 1 d . . . . .
C66 C 0.0707(8) 0.4238(7) 0.5365(4) 0.069(3) Uani 1 1 d . . . . .
H66 H 0.104045 0.376116 0.565384 0.083 Uiso 1 1 calc R U . . .
C67 C 0.1578(7) 0.4971(9) 0.5283(5) 0.087(3) Uani 1 1 d . . . . .
C68 C 0.2495(10) 0.5045(15) 0.5713(7) 0.155(7) Uani 1 1 d . . . . .
H68 H 0.253134 0.461818 0.603374 0.186 Uiso 1 1 calc R U . . .
C69 C 0.3286(15) 0.570(3) 0.5664(11) 0.251(16) Uani 1 1 d . . . . .
H69 H 0.390532 0.575528 0.595973 0.302 Uiso 1 1 calc R U . . .
C70 C 0.3284(11) 0.6328(15) 0.5206(8) 0.150(8) Uani 1 1 d . . . . .
H70 H 0.391665 0.676908 0.517293 0.180 Uiso 1 1 calc R U . . .
C71 C 0.2300(13) 0.6311(11) 0.4772(8) 0.138(6) Uani 1 1 d . . . . .
H71 H 0.223334 0.678775 0.447509 0.165 Uiso 1 1 calc R U . . .
C72 C 0.1441(8) 0.5548(7) 0.4810(5) 0.079(3) Uani 1 1 d . . . . .
C58 C 0.0599(13) 0.5941(10) 0.3834(5) 0.0756(8) Uani 0.708(3) 1 d D U P A 1
H58A H 0.072526 0.664740 0.395543 0.091 Uiso 0.708(3) 1 calc R U P A 1
H58B H -0.012240 0.588589 0.357706 0.091 Uiso 0.708(3) 1 calc R U P A 1
C73 C 0.3669(10) 0.4934(10) 0.3765(5) 0.0767(9) Uani 0.708(3) 1 d D U P A 1
H73A H 0.400588 0.562179 0.380293 0.092 Uiso 0.708(3) 1 calc R U P A 1
H73B H 0.397706 0.456288 0.410687 0.092 Uiso 0.708(3) 1 calc R U P A 1
C74 C 0.3965(12) 0.4483(11) 0.3265(5) 0.0776(10) Uani 0.708(3) 1 d D U P A 1
H74A H 0.366926 0.379003 0.323933 0.116 Uiso 0.708(3) 1 calc R U P A 1
H74B H 0.478558 0.450566 0.328323 0.116 Uiso 0.708(3) 1 calc R U P A 1
H74C H 0.364707 0.484022 0.292635 0.116 Uiso 0.708(3) 1 calc R U P A 1
C75 C 0.2803(11) 0.7166(9) 0.2926(5) 0.0764(10) Uani 0.708(3) 1 d D U P A 1
H75A H 0.361880 0.733788 0.301182 0.092 Uiso 0.708(3) 1 calc R U P A 1
H75B H 0.268463 0.670346 0.259109 0.092 Uiso 0.708(3) 1 calc R U P A 1
C76 C 0.2242(12) 0.8025(9) 0.2789(6) 0.0771(13) Uani 0.708(3) 1 d D U P A 1
H76A H 0.143862 0.785336 0.268545 0.116 Uiso 0.708(3) 1 calc R U P A 1
H76B H 0.254375 0.834647 0.246277 0.116 Uiso 0.708(3) 1 calc R U P A 1
H76C H 0.235019 0.848143 0.312120 0.116 Uiso 0.708(3) 1 calc R U P A 1
C58' C -0.001(2) 0.556(3) 0.3737(6) 0.0755(8) Uani 0.292(3) 1 d D U P A 2
H58C H -0.012719 0.628484 0.370894 0.091 Uiso 0.292(3) 1 calc R U P A 2
H58D H -0.075728 0.521238 0.363816 0.091 Uiso 0.292(3) 1 calc R U P A 2
C73' C 0.2940(15) 0.471(2) 0.3532(11) 0.0764(8) Uani 0.292(3) 1 d D U P A 2
H73C H 0.313739 0.542957 0.352965 0.092 Uiso 0.292(3) 1 calc R U P A 2
H73D H 0.328962 0.444241 0.390035 0.092 Uiso 0.292(3) 1 calc R U P A 2
C74' C 0.336(2) 0.424(3) 0.3074(13) 0.0768(10) Uani 0.292(3) 1 d D U P A 2
H74D H 0.339289 0.352845 0.314436 0.115 Uiso 0.292(3) 1 calc R U P A 2
H74E H 0.412336 0.452510 0.304247 0.115 Uiso 0.292(3) 1 calc R U P A 2
H74F H 0.287504 0.434956 0.271550 0.115 Uiso 0.292(3) 1 calc R U P A 2
C75' C 0.039(2) 0.3901(19) 0.2320(9) 0.0761(10) Uani 0.292(3) 1 d D U P A 2
H75C H -0.025477 0.343787 0.217956 0.091 Uiso 0.292(3) 1 calc R U P A 2
H75D H 0.056044 0.432029 0.199385 0.091 Uiso 0.292(3) 1 calc R U P A 2
C76' C 0.132(2) 0.335(2) 0.2492(13) 0.0761(14) Uani 0.292(3) 1 d D U P A 2
H76D H 0.156719 0.304279 0.215326 0.114 Uiso 0.292(3) 1 calc R U P A 2
H76E H 0.110640 0.282969 0.275431 0.114 Uiso 0.292(3) 1 calc R U P A 2
H76F H 0.192633 0.378680 0.268832 0.114 Uiso 0.292(3) 1 calc R U P A 2
N1 N 0.9060(5) 0.8229(5) 0.3304(2) 0.0453(14) Uani 1 1 d . . . . .
N2 N 0.6161(7) 0.6863(5) 0.3310(3) 0.0692(14) Uani 1 1 d . U . . .
N3 N 0.4943(5) 0.8347(5) 0.1762(3) 0.0527(16) Uani 1 1 d . . . . .
O1 O 0.7346(4) 0.7055(4) 0.18390(17) 0.0405(10) Uani 1 1 d . U . . .
O2 O 0.7592(4) 0.5289(4) 0.15336(19) 0.0475(10) Uani 1 1 d . U . . .
O3 O 0.8826(3) 0.6628(4) 0.12082(19) 0.0444(10) Uani 1 1 d . U . . .
O4 O 0.8195(4) 0.9171(4) 0.20160(18) 0.0418(10) Uani 1 1 d . U . . .
O5 O 1.0053(5) 1.0125(5) 0.2302(2) 0.0635(12) Uani 1 1 d . U . . .
O6 O 0.8551(4) 1.0844(4) 0.1613(2) 0.0561(11) Uani 1 1 d . U . . .
O7 O 0.6298(4) 0.9668(4) 0.28024(18) 0.0447(8) Uani 1 1 d . U . . .
O8 O 0.5911(6) 1.1265(5) 0.3303(3) 0.0749(10) Uani 1 1 d D U . . .
O9 O 0.4428(5) 1.0430(5) 0.2680(2) 0.0724(10) Uani 1 1 d D U . . .
O10 O 0.8387(4) 0.8920(4) 0.32782(19) 0.0451(11) Uani 1 1 d . . . . .
O11 O 0.8778(5) 0.7527(4) 0.2947(3) 0.0689(17) Uani 1 1 d . . . . .
O12 O 0.9905(5) 0.8245(5) 0.3644(3) 0.0749(19) Uani 1 1 d . . . . .
O13 O 0.6324(5) 0.7759(4) 0.3404(2) 0.0602(13) Uani 1 1 d . U . . .
O14 O 0.6446(6) 0.6544(4) 0.2846(2) 0.0744(15) Uani 1 1 d . U . . .
O15 O 0.5724(9) 0.6338(5) 0.3633(3) 0.115(3) Uani 1 1 d . U . . .
O16 O 0.5857(4) 0.8722(5) 0.1626(2) 0.0580(14) Uani 1 1 d . . . . .
O17 O 0.5004(4) 0.7870(4) 0.2228(2) 0.0524(13) Uani 1 1 d . . . . .
O18 O 0.4065(5) 0.8410(6) 0.1457(3) 0.094(2) Uani 1 1 d . . . . .
P4 P 0.1688(3) 0.5678(3) 0.33955(16) 0.0757(7) Uani 0.708(3) 1 d D U P A 1
O19 O 0.1249(8) 0.5335(7) 0.2809(4) 0.0766(9) Uani 0.708(3) 1 d D U P A 1
O20 O 0.2470(7) 0.4952(7) 0.3748(4) 0.0763(8) Uani 0.708(3) 1 d D U P A 1
O21 O 0.2411(7) 0.6683(6) 0.3414(4) 0.0761(8) Uani 0.708(3) 1 d D U P A 1
P4' P 0.0856(8) 0.5243(7) 0.3188(4) 0.0756(8) Uani 0.292(3) 1 d D U P A 2
O21' O 0.0070(14) 0.4529(13) 0.2763(7) 0.0759(9) Uani 0.292(3) 1 d D U P A 2
O19' O 0.1358(19) 0.6107(14) 0.2913(9) 0.0759(9) Uani 0.292(3) 1 d D U P A 2
O20' O 0.1740(14) 0.4543(14) 0.3489(9) 0.0760(8) Uani 0.292(3) 1 d D U P A 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'
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
_geom_angle_publ_flag
O4 Dy1 O1 81.39(17) . . ?
O4 Dy1 O7 87.89(17) . . ?
O1 Dy1 O7 153.47(16) . . ?
O4 Dy1 O13 150.37(19) . . ?
O1 Dy1 O13 122.55(17) . . ?
O7 Dy1 O13 76.62(17) . . ?
O4 Dy1 O10 77.87(16) . . ?
O1 Dy1 O10 126.53(16) . . ?
O7 Dy1 O10 73.85(17) . . ?
O13 Dy1 O10 73.65(19) . . ?
O4 Dy1 O11 83.8(2) . . ?
O1 Dy1 O11 77.61(17) . . ?
O7 Dy1 O11 125.45(17) . . ?
O13 Dy1 O11 84.9(2) . . ?
O10 Dy1 O11 51.67(17) . . ?
O4 Dy1 O17 125.51(16) . . ?
O1 Dy1 O17 88.35(17) . . ?
O7 Dy1 O17 78.24(18) . . ?
O13 Dy1 O17 76.28(19) . . ?
O10 Dy1 O17 142.74(17) . . ?
O11 Dy1 O17 145.4(2) . . ?
O4 Dy1 O14 148.7(2) . . ?
O1 Dy1 O14 71.62(17) . . ?
O7 Dy1 O14 123.20(18) . . ?
O13 Dy1 O14 51.00(18) . . ?
O10 Dy1 O14 105.6(2) . . ?
O11 Dy1 O14 75.4(2) . . ?
O17 Dy1 O14 70.2(2) . . ?
O4 Dy1 O16 73.95(17) . . ?
O1 Dy1 O16 76.51(18) . . ?
O7 Dy1 O16 77.22(18) . . ?
O13 Dy1 O16 125.22(19) . . ?
O10 Dy1 O16 139.95(19) . . ?
O11 Dy1 O16 148.0(2) . . ?
O17 Dy1 O16 51.66(17) . . ?
O14 Dy1 O16 113.3(2) . . ?
O1 P1 O2 113.3(3) . . ?
O1 P1 O3 113.0(3) . . ?
O2 P1 O3 104.6(3) . . ?
O1 P1 C1 112.2(3) . . ?
O2 P1 C1 110.1(3) . . ?
O3 P1 C1 102.8(2) . . ?
O4 P2 O6 112.7(3) . . ?
O4 P2 O5 112.4(3) . . ?
O6 P2 O5 108.6(3) . . ?
O4 P2 C20 112.9(3) . . ?
O6 P2 C20 109.9(3) . . ?
O5 P2 C20 99.6(3) . . ?
O7 P3 O8 119.8(4) . . ?
O7 P3 O9 109.7(3) . . ?
O8 P3 O9 101.0(4) . . ?
O7 P3 C39 115.0(3) . . ?
O8 P3 C39 108.7(3) . . ?
O9 P3 C39 99.8(3) . . ?
C2 C1 P1 119.7(4) . . ?
C3 C2 C15 108.3(5) . . ?
C3 C2 C1 112.6(4) . . ?
C15 C2 C1 112.3(4) . . ?
C3 C2 C9 109.3(4) . 2_665 ?
C15 C2 C9 108.4(4) . 2_665 ?
C1 C2 C9 105.8(5) . 2_665 ?
C8 C3 C4 118.5(6) . . ?
C8 C3 C2 117.8(5) . . ?
C4 C3 C2 123.6(6) . . ?
C5 C4 C3 119.9(6) . . ?
C6 C5 C4 121.0(6) . . ?
C5 C6 C7 119.6(7) . . ?
C8 C7 C6 120.1(7) . . ?
C7 C8 C3 120.8(6) . . ?
C7 C8 C9 121.5(6) . . ?
C3 C8 C9 117.7(5) . . ?
C10 C9 C8 108.2(5) . . ?
C10 C9 C2 113.1(5) . 2_665 ?
C8 C9 C2 112.5(4) . 2_665 ?
C11 C10 C15 119.8(6) . . ?
C11 C10 C9 121.9(6) . . ?
C15 C10 C9 118.3(5) . . ?
C12 C11 C10 121.0(7) . . ?
C11 C12 C13 119.6(6) . . ?
C14 C13 C12 119.2(7) . . ?
C13 C14 C15 121.8(7) . . ?
C14 C15 C10 118.4(5) . . ?
C14 C15 C2 124.5(6) . . ?
C10 C15 C2 117.1(5) . . ?
O2 C16 C17 110.7(8) . . ?
C19 C18 O3 110.2(8) . . ?
C21 C20 P2 122.0(4) . . ?
C34 C21 C22 107.6(5) . . ?
C34 C21 C20 113.1(5) . . ?
C22 C21 C20 112.7(4) . . ?
C34 C21 C28 108.5(4) . 2_775 ?
C22 C21 C28 109.6(4) . 2_775 ?
C20 C21 C28 105.3(5) . 2_775 ?
C23 C22 C27 119.0(5) . . ?
C23 C22 C21 123.6(5) . . ?
C27 C22 C21 117.4(5) . . ?
C24 C23 C22 120.8(6) . . ?
C23 C24 C25 119.9(6) . . ?
C26 C25 C24 119.2(5) . . ?
C27 C26 C25 120.7(6) . . ?
C26 C27 C22 120.5(5) . . ?
C26 C27 C28 121.7(5) . . ?
C22 C27 C28 117.9(5) . . ?
C29 C28 C27 108.4(4) . . ?
C29 C28 C21 112.7(4) . 2_775 ?
C27 C28 C21 114.3(5) . 2_775 ?
C30 C29 C34 120.5(6) . . ?
C30 C29 C28 121.7(5) . . ?
C34 C29 C28 117.7(5) . . ?
C29 C30 C31 120.6(6) . . ?
C32 C31 C30 118.8(7) . . ?
C31 C32 C33 120.8(7) . . ?
C32 C33 C34 121.5(6) . . ?
C33 C34 C29 117.8(6) . . ?
C33 C34 C21 125.1(5) . . ?
C29 C34 C21 117.1(5) . . ?
O5 C35 C36 111.7(9) . . ?
C38 C37 O6 112.4(9) . . ?
C40 C39 P3 124.6(5) . . ?
C39 C40 C53 113.3(5) . . ?
C39 C40 C41 113.7(5) . . ?
C53 C40 C41 107.9(5) . . ?
C39 C40 C47 104.7(5) . 2_676 ?
C53 C40 C47 108.8(4) . 2_676 ?
C41 C40 C47 108.2(4) . 2_676 ?
C42 C41 C46 119.6(5) . . ?
C42 C41 C40 122.8(6) . . ?
C46 C41 C40 117.4(5) . . ?
C43 C42 C41 121.4(6) . . ?
C42 C43 C44 118.9(6) . . ?
C45 C44 C43 119.8(6) . . ?
C46 C45 C44 120.1(6) . . ?
C45 C46 C41 120.0(6) . . ?
C45 C46 C47 121.3(6) . . ?
C41 C46 C47 118.6(5) . . ?
C46 C47 C48 109.0(5) . . ?
C46 C47 C40 113.1(5) . 2_676 ?
C48 C47 C40 112.7(4) . 2_676 ?
C49 C48 C53 120.6(5) . . ?
C49 C48 C47 121.9(6) . . ?
C53 C48 C47 117.5(6) . . ?
C50 C49 C48 120.0(6) . . ?
C49 C50 C51 119.9(7) . . ?
C50 C51 C52 120.4(6) . . ?
C53 C52 C51 121.0(6) . . ?
C52 C53 C48 118.2(6) . . ?
C52 C53 C40 124.5(6) . . ?
C48 C53 C40 117.3(5) . . ?
O8 C54 C55 106.1(9) . . ?
O9 C56 C57 112.3(8) . . ?
C72 C59 C60 107.6(7) . . ?
C72 C59 C58 106.6(9) . . ?
C60 C59 C58 117.3(9) . . ?
C72 C59 C58' 138.4(14) . . ?
C60 C59 C58' 95.0(15) . . ?
C72 C59 C66 110.5(7) . 2_566 ?
C60 C59 C66 107.3(7) . 2_566 ?
C58 C59 C66 107.5(7) . 2_566 ?
C58' C59 C66 94.6(8) . 2_566 ?
C61 C60 C65 121.0(11) . . ?
C61 C60 C59 123.3(10) . . ?
C65 C60 C59 115.5(8) . . ?
C62 C61 C60 118.7(16) . . ?
C61 C62 C63 124.9(18) . . ?
C62 C63 C64 117.0(13) . . ?
C65 C64 C63 118.3(14) . . ?
C64 C65 C60 119.2(11) . . ?
C64 C65 C66 122.7(10) . . ?
C60 C65 C66 118.1(8) . . ?
C67 C66 C65 108.2(8) . . ?
C67 C66 C59 115.7(8) . 2_566 ?
C65 C66 C59 111.6(7) . 2_566 ?
C72 C67 C68 125.4(12) . . ?
C72 C67 C66 118.5(8) . . ?
C68 C67 C66 116.1(12) . . ?
C69 C68 C67 118.5(19) . . ?
C68 C69 C70 123.2(19) . . ?
C69 C70 C71 119.2(13) . . ?
C72 C71 C70 117.3(15) . . ?
C67 C72 C71 115.9(12) . . ?
C67 C72 C59 117.8(8) . . ?
C71 C72 C59 126.3(12) . . ?
C59 C58 P4 122.7(9) . . ?
C74 C73 O20 111.4(11) . . ?
C76 C75 O21 111.5(10) . . ?
C59 C58' P4' 118.8(11) . . ?
C74' C73' O20' 111.1(15) . . ?
C76' C75' O21' 114.6(14) . . ?
O12 N1 O11 122.9(6) . . ?
O12 N1 O10 122.5(6) . . ?
O11 N1 O10 114.6(5) . . ?
O15 N2 O13 121.3(7) . . ?
O15 N2 O14 122.5(8) . . ?
O13 N2 O14 116.2(6) . . ?
O18 N3 O16 122.0(7) . . ?
O18 N3 O17 121.7(7) . . ?
O16 N3 O17 116.3(5) . . ?
P1 O1 Dy1 173.7(3) . . ?
C16 O2 P1 124.6(5) . . ?
C18 O3 P1 118.6(5) . . ?
P2 O4 Dy1 167.5(3) . . ?
C35 O5 P2 126.9(6) . . ?
C37 O6 P2 124.7(6) . . ?
P3 O7 Dy1 154.4(3) . . ?
C54 O8 P3 127.8(7) . . ?
C56 O9 P3 121.2(6) . . ?
N1 O10 Dy1 97.5(4) . . ?
N1 O11 Dy1 96.2(4) . . ?
N2 O13 Dy1 98.2(4) . . ?
N2 O14 Dy1 94.5(4) . . ?
N3 O16 Dy1 95.4(4) . . ?
N3 O17 Dy1 96.5(4) . . ?
O19 P4 O20 115.0(6) . . ?
O19 P4 O21 113.4(5) . . ?
O20 P4 O21 104.3(5) . . ?
O19 P4 C58 113.5(7) . . ?
O20 P4 C58 106.4(5) . . ?
O21 P4 C58 103.2(6) . . ?
C73 O20 P4 126.5(8) . . ?
C75 O21 P4 125.6(8) . . ?
O19' P4' O20' 113.8(12) . . ?
O19' P4' O21' 114.4(13) . . ?
O20' P4' O21' 103.6(12) . . ?
O19' P4' C58' 114.1(15) . . ?
O20' P4' C58' 105.5(10) . . ?
O21' P4' C58' 104.4(13) . . ?
C75' O21' P4' 127.4(13) . . ?
C73' O20' P4' 125.7(14) . . ?
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 O4 2.287(4) . ?
Dy1 O1 2.289(4) . ?
Dy1 O7 2.327(5) . ?
Dy1 O13 2.424(5) . ?
Dy1 O10 2.424(4) . ?
Dy1 O11 2.452(5) . ?
Dy1 O17 2.453(5) . ?
Dy1 O14 2.479(6) . ?
Dy1 O16 2.480(4) . ?
P1 O1 1.478(5) . ?
P1 O2 1.543(5) . ?
P1 O3 1.566(5) . ?
P1 C1 1.799(5) . ?
P2 O4 1.471(4) . ?
P2 O6 1.520(6) . ?
P2 O5 1.568(5) . ?
P2 C20 1.798(6) . ?
P3 O7 1.456(5) . ?
P3 O8 1.477(7) . ?
P3 O9 1.608(6) . ?
P3 C39 1.791(6) . ?
C1 C2 1.556(8) . ?
C2 C3 1.518(8) . ?
C2 C15 1.520(8) . ?
C2 C9 1.634(7) 2_665 ?
C3 C8 1.385(9) . ?
C3 C4 1.399(8) . ?
C4 C5 1.385(9) . ?
C5 C6 1.365(10) . ?
C6 C7 1.383(9) . ?
C7 C8 1.382(9) . ?
C8 C9 1.510(8) . ?
C9 C10 1.503(8) . ?
C10 C11 1.385(8) . ?
C10 C15 1.390(9) . ?
C11 C12 1.372(9) . ?
C12 C13 1.394(11) . ?
C13 C14 1.370(9) . ?
C14 C15 1.390(8) . ?
C16 O2 1.471(9) . ?
C16 C17 1.476(13) . ?
C18 C19 1.393(14) . ?
C18 O3 1.468(8) . ?
C20 C21 1.541(7) . ?
C21 C34 1.523(9) . ?
C21 C22 1.524(7) . ?
C21 C28 1.628(8) 2_775 ?
C22 C23 1.385(8) . ?
C22 C27 1.386(8) . ?
C23 C24 1.381(8) . ?
C24 C25 1.391(9) . ?
C25 C26 1.383(9) . ?
C26 C27 1.376(8) . ?
C27 C28 1.506(8) . ?
C28 C29 1.501(8) . ?
C29 C30 1.380(9) . ?
C29 C34 1.401(8) . ?
C30 C31 1.391(9) . ?
C31 C32 1.374(10) . ?
C32 C33 1.373(9) . ?
C33 C34 1.382(9) . ?
C35 O5 1.371(10) . ?
C35 C36 1.441(13) . ?
C37 C38 1.412(15) . ?
C37 O6 1.448(10) . ?
C39 C40 1.527(8) . ?
C40 C53 1.536(9) . ?
C40 C41 1.536(8) . ?
C40 C47 1.622(8) 2_676 ?
C41 C42 1.378(8) . ?
C41 C46 1.386(9) . ?
C42 C43 1.371(8) . ?
C43 C44 1.404(10) . ?
C44 C45 1.391(9) . ?
C45 C46 1.377(8) . ?
C46 C47 1.498(8) . ?
C47 C48 1.506(8) . ?
C48 C49 1.391(9) . ?
C48 C53 1.413(9) . ?
C49 C50 1.374(9) . ?
C50 C51 1.383(10) . ?
C51 C52 1.387(10) . ?
C52 C53 1.376(8) . ?
C54 O8 1.294(12) . ?
C54 C55 1.488(11) . ?
C56 O9 1.375(10) . ?
C56 C57 1.431(11) . ?
C59 C72 1.498(14) . ?
C59 C60 1.527(12) . ?
C59 C58 1.564(12) . ?
C59 C58' 1.579(15) . ?
C59 C66 1.657(12) 2_566 ?
C60 C61 1.346(14) . ?
C60 C65 1.395(12) . ?
C61 C62 1.32(2) . ?
C62 C63 1.33(3) . ?
C63 C64 1.44(2) . ?
C64 C65 1.373(13) . ?
C65 C66 1.461(13) . ?
C66 C67 1.432(14) . ?
C67 C72 1.359(15) . ?
C67 C68 1.395(14) . ?
C68 C69 1.28(3) . ?
C69 C70 1.37(3) . ?
C70 C71 1.46(2) . ?
C71 C72 1.427(14) . ?
C58 P4 1.812(12) . ?
C73 C74 1.410(12) . ?
C73 O20 1.438(11) . ?
C75 C76 1.392(12) . ?
C75 O21 1.439(11) . ?
C58' P4' 1.820(14) . ?
C73' C74' 1.403(14) . ?
C73' O20' 1.438(13) . ?
C75' C76' 1.390(14) . ?
C75' O21' 1.438(13) . ?
N1 O12 1.207(7) . ?
N1 O11 1.261(8) . ?
N1 O10 1.264(7) . ?
N2 O15 1.190(8) . ?
N2 O13 1.227(8) . ?
N2 O14 1.261(8) . ?
N3 O18 1.205(7) . ?
N3 O16 1.262(8) . ?
N3 O17 1.270(8) . ?
P4 O19 1.470(9) . ?
P4 O20 1.564(8) . ?
P4 O21 1.566(8) . ?
P4' O19' 1.473(12) . ?
P4' O20' 1.565(10) . ?
P4' O21' 1.567(10) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 P1 C1 C2 -118.3(4) . . . . ?
O2 P1 C1 C2 8.9(5) . . . . ?
O3 P1 C1 C2 120.0(4) . . . . ?
P1 C1 C2 C3 -64.2(6) . . . . ?
P1 C1 C2 C15 58.4(6) . . . . ?
P1 C1 C2 C9 176.5(4) . . . 2_665 ?
C15 C2 C3 C8 43.8(6) . . . . ?
C1 C2 C3 C8 168.6(5) . . . . ?
C9 C2 C3 C8 -74.1(6) 2_665 . . . ?
C15 C2 C3 C4 -138.3(6) . . . . ?
C1 C2 C3 C4 -13.4(8) . . . . ?
C9 C2 C3 C4 103.8(6) 2_665 . . . ?
C8 C3 C4 C5 -1.9(9) . . . . ?
C2 C3 C4 C5 -179.8(6) . . . . ?
C3 C4 C5 C6 0.8(11) . . . . ?
C4 C5 C6 C7 0.4(12) . . . . ?
C5 C6 C7 C8 -0.5(12) . . . . ?
C6 C7 C8 C3 -0.5(11) . . . . ?
C6 C7 C8 C9 -179.5(7) . . . . ?
C4 C3 C8 C7 1.7(9) . . . . ?
C2 C3 C8 C7 179.8(6) . . . . ?
C4 C3 C8 C9 -179.2(5) . . . . ?
C2 C3 C8 C9 -1.2(8) . . . . ?
C7 C8 C9 C10 136.0(6) . . . . ?
C3 C8 C9 C10 -43.0(7) . . . . ?
C7 C8 C9 C2 -98.3(7) . . . 2_665 ?
C3 C8 C9 C2 82.7(6) . . . 2_665 ?
C8 C9 C10 C11 -136.8(6) . . . . ?
C2 C9 C10 C11 97.8(7) 2_665 . . . ?
C8 C9 C10 C15 45.0(7) . . . . ?
C2 C9 C10 C15 -80.4(6) 2_665 . . . ?
C15 C10 C11 C12 1.5(10) . . . . ?
C9 C10 C11 C12 -176.7(6) . . . . ?
C10 C11 C12 C13 1.3(12) . . . . ?
C11 C12 C13 C14 -3.1(13) . . . . ?
C12 C13 C14 C15 2.2(12) . . . . ?
C13 C14 C15 C10 0.6(10) . . . . ?
C13 C14 C15 C2 178.6(7) . . . . ?
C11 C10 C15 C14 -2.4(9) . . . . ?
C9 C10 C15 C14 175.8(6) . . . . ?
C11 C10 C15 C2 179.4(6) . . . . ?
C9 C10 C15 C2 -2.4(8) . . . . ?
C3 C2 C15 C14 140.2(6) . . . . ?
C1 C2 C15 C14 15.2(8) . . . . ?
C9 C2 C15 C14 -101.3(7) 2_665 . . . ?
C3 C2 C15 C10 -41.8(7) . . . . ?
C1 C2 C15 C10 -166.7(5) . . . . ?
C9 C2 C15 C10 76.7(6) 2_665 . . . ?
O4 P2 C20 C21 120.1(5) . . . . ?
O6 P2 C20 C21 -6.6(6) . . . . ?
O5 P2 C20 C21 -120.5(5) . . . . ?
P2 C20 C21 C34 60.8(6) . . . . ?
P2 C20 C21 C22 -61.4(7) . . . . ?
P2 C20 C21 C28 179.1(4) . . . 2_775 ?
C34 C21 C22 C23 -136.9(6) . . . . ?
C20 C21 C22 C23 -11.6(8) . . . . ?
C28 C21 C22 C23 105.3(6) 2_775 . . . ?
C34 C21 C22 C27 44.1(7) . . . . ?
C20 C21 C22 C27 169.4(5) . . . . ?
C28 C21 C22 C27 -73.7(7) 2_775 . . . ?
C27 C22 C23 C24 -1.6(9) . . . . ?
C21 C22 C23 C24 179.4(6) . . . . ?
C22 C23 C24 C25 0.7(10) . . . . ?
C23 C24 C25 C26 0.8(10) . . . . ?
C24 C25 C26 C27 -1.5(10) . . . . ?
C25 C26 C27 C22 0.6(10) . . . . ?
C25 C26 C27 C28 -179.6(6) . . . . ?
C23 C22 C27 C26 0.9(9) . . . . ?
C21 C22 C27 C26 180.0(6) . . . . ?
C23 C22 C27 C28 -178.9(5) . . . . ?
C21 C22 C27 C28 0.2(8) . . . . ?
C26 C27 C28 C29 135.7(6) . . . . ?
C22 C27 C28 C29 -44.5(7) . . . . ?
C26 C27 C28 C21 -97.7(7) . . . 2_775 ?
C22 C27 C28 C21 82.0(6) . . . 2_775 ?
C27 C28 C29 C30 -135.4(5) . . . . ?
C21 C28 C29 C30 97.1(6) 2_775 . . . ?
C27 C28 C29 C34 43.9(6) . . . . ?
C21 C28 C29 C34 -83.6(6) 2_775 . . . ?
C34 C29 C30 C31 0.1(8) . . . . ?
C28 C29 C30 C31 179.4(5) . . . . ?
C29 C30 C31 C32 0.6(9) . . . . ?
C30 C31 C32 C33 -0.4(10) . . . . ?
C31 C32 C33 C34 -0.6(10) . . . . ?
C32 C33 C34 C29 1.3(9) . . . . ?
C32 C33 C34 C21 -179.9(6) . . . . ?
C30 C29 C34 C33 -1.1(8) . . . . ?
C28 C29 C34 C33 179.7(5) . . . . ?
C30 C29 C34 C21 180.0(5) . . . . ?
C28 C29 C34 C21 0.7(7) . . . . ?
C22 C21 C34 C33 136.7(6) . . . . ?
C20 C21 C34 C33 11.6(8) . . . . ?
C28 C21 C34 C33 -104.8(6) 2_775 . . . ?
C22 C21 C34 C29 -44.5(6) . . . . ?
C20 C21 C34 C29 -169.6(5) . . . . ?
C28 C21 C34 C29 74.0(6) 2_775 . . . ?
O7 P3 C39 C40 123.0(5) . . . . ?
O8 P3 C39 C40 -14.5(7) . . . . ?
O9 P3 C39 C40 -119.7(6) . . . . ?
P3 C39 C40 C53 66.5(7) . . . . ?
P3 C39 C40 C41 -57.3(7) . . . . ?
P3 C39 C40 C47 -175.1(4) . . . 2_676 ?
C39 C40 C41 C42 -15.3(9) . . . . ?
C53 C40 C41 C42 -141.9(6) . . . . ?
C47 C40 C41 C42 100.6(7) 2_676 . . . ?
C39 C40 C41 C46 168.6(6) . . . . ?
C53 C40 C41 C46 41.9(7) . . . . ?
C47 C40 C41 C46 -75.6(7) 2_676 . . . ?
C46 C41 C42 C43 -1.9(10) . . . . ?
C40 C41 C42 C43 -178.0(6) . . . . ?
C41 C42 C43 C44 -0.2(10) . . . . ?
C42 C43 C44 C45 0.9(11) . . . . ?
C43 C44 C45 C46 0.5(11) . . . . ?
C44 C45 C46 C41 -2.7(10) . . . . ?
C44 C45 C46 C47 175.4(6) . . . . ?
C42 C41 C46 C45 3.4(10) . . . . ?
C40 C41 C46 C45 179.6(6) . . . . ?
C42 C41 C46 C47 -174.7(6) . . . . ?
C40 C41 C46 C47 1.6(9) . . . . ?
C45 C46 C47 C48 137.2(6) . . . . ?
C41 C46 C47 C48 -44.8(8) . . . . ?
C45 C46 C47 C40 -96.7(7) . . . 2_676 ?
C41 C46 C47 C40 81.4(7) . . . 2_676 ?
C46 C47 C48 C49 -139.2(6) . . . . ?
C40 C47 C48 C49 94.4(7) 2_676 . . . ?
C46 C47 C48 C53 43.2(7) . . . . ?
C40 C47 C48 C53 -83.2(6) 2_676 . . . ?
C53 C48 C49 C50 0.1(9) . . . . ?
C47 C48 C49 C50 -177.3(6) . . . . ?
C48 C49 C50 C51 -0.8(10) . . . . ?
C49 C50 C51 C52 1.0(10) . . . . ?
C50 C51 C52 C53 -0.6(10) . . . . ?
C51 C52 C53 C48 -0.1(9) . . . . ?
C51 C52 C53 C40 176.9(6) . . . . ?
C49 C48 C53 C52 0.3(9) . . . . ?
C47 C48 C53 C52 177.9(5) . . . . ?
C49 C48 C53 C40 -176.9(5) . . . . ?
C47 C48 C53 C40 0.7(8) . . . . ?
C39 C40 C53 C52 13.2(9) . . . . ?
C41 C40 C53 C52 140.1(6) . . . . ?
C47 C40 C53 C52 -102.8(7) 2_676 . . . ?
C39 C40 C53 C48 -169.7(5) . . . . ?
C41 C40 C53 C48 -42.8(7) . . . . ?
C47 C40 C53 C48 74.3(6) 2_676 . . . ?
C72 C59 C60 C61 -134.6(12) . . . . ?
C58 C59 C60 C61 -14.6(16) . . . . ?
C58' C59 C60 C61 10.0(15) . . . . ?
C66 C59 C60 C61 106.4(12) 2_566 . . . ?
C72 C59 C60 C65 41.0(10) . . . . ?
C58 C59 C60 C65 161.0(9) . . . . ?
C58' C59 C60 C65 -174.4(10) . . . . ?
C66 C59 C60 C65 -78.0(9) 2_566 . . . ?
C65 C60 C61 C62 2(2) . . . . ?
C59 C60 C61 C62 177.2(15) . . . . ?
C60 C61 C62 C63 4(3) . . . . ?
C61 C62 C63 C64 -10(4) . . . . ?
C62 C63 C64 C65 10(3) . . . . ?
C63 C64 C65 C60 -4.4(16) . . . . ?
C63 C64 C65 C66 176.3(11) . . . . ?
C61 C60 C65 C64 -1.4(16) . . . . ?
C59 C60 C65 C64 -177.1(9) . . . . ?
C61 C60 C65 C66 177.9(11) . . . . ?
C59 C60 C65 C66 2.2(12) . . . . ?
C64 C65 C66 C67 132.3(10) . . . . ?
C60 C65 C66 C67 -47.0(10) . . . . ?
C64 C65 C66 C59 -99.2(10) . . . 2_566 ?
C60 C65 C66 C59 81.5(9) . . . 2_566 ?
C65 C66 C67 C72 48.0(13) . . . . ?
C59 C66 C67 C72 -78.1(13) 2_566 . . . ?
C65 C66 C67 C68 -133.6(12) . . . . ?
C59 C66 C67 C68 100.4(12) 2_566 . . . ?
C72 C67 C68 C69 0(3) . . . . ?
C66 C67 C68 C69 -179(2) . . . . ?
C67 C68 C69 C70 -1(4) . . . . ?
C68 C69 C70 C71 5(4) . . . . ?
C69 C70 C71 C72 -8(3) . . . . ?
C68 C67 C72 C71 -3(2) . . . . ?
C66 C67 C72 C71 175.8(11) . . . . ?
C68 C67 C72 C59 178.4(13) . . . . ?
C66 C67 C72 C59 -3.3(16) . . . . ?
C70 C71 C72 C67 6.3(19) . . . . ?
C70 C71 C72 C59 -174.7(12) . . . . ?
C60 C59 C72 C67 -41.3(12) . . . . ?
C58 C59 C72 C67 -168.0(10) . . . . ?
C58' C59 C72 C67 -161.1(17) . . . . ?
C66 C59 C72 C67 75.5(11) 2_566 . . . ?
C60 C59 C72 C71 139.7(11) . . . . ?
C58 C59 C72 C71 13.1(15) . . . . ?
C58' C59 C72 C71 20(2) . . . . ?
C66 C59 C72 C71 -103.5(12) 2_566 . . . ?
C72 C59 C58 P4 65.0(13) . . . . ?
C60 C59 C58 P4 -55.6(15) . . . . ?
C66 C59 C58 P4 -176.4(10) 2_566 . . . ?
C72 C59 C58' P4' 53(3) . . . . ?
C60 C59 C58' P4' -71(2) . . . . ?
C66 C59 C58' P4' -179(2) 2_566 . . . ?
C17 C16 O2 P1 -94.8(9) . . . . ?
O1 P1 O2 C16 8.1(6) . . . . ?
O3 P1 O2 C16 131.7(6) . . . . ?
C1 P1 O2 C16 -118.5(6) . . . . ?
C19 C18 O3 P1 136.0(9) . . . . ?
O1 P1 O3 C18 63.8(6) . . . . ?
O2 P1 O3 C18 -60.0(6) . . . . ?
C1 P1 O3 C18 -175.0(6) . . . . ?
O6 P2 O4 Dy1 -96.8(15) . . . . ?
O5 P2 O4 Dy1 26.3(16) . . . . ?
C20 P2 O4 Dy1 138.0(14) . . . . ?
C36 C35 O5 P2 167.8(8) . . . . ?
O4 P2 O5 C35 -68.7(8) . . . . ?
O6 P2 O5 C35 56.6(8) . . . . ?
C20 P2 O5 C35 171.5(7) . . . . ?
C38 C37 O6 P2 -157.7(9) . . . . ?
O4 P2 O6 C37 -0.1(8) . . . . ?
O5 P2 O6 C37 -125.4(7) . . . . ?
C20 P2 O6 C37 126.6(7) . . . . ?
O8 P3 O7 Dy1 152.1(6) . . . . ?
O9 P3 O7 Dy1 -91.9(7) . . . . ?
C39 P3 O7 Dy1 19.6(8) . . . . ?
C55 C54 O8 P3 139.1(8) . . . . ?
O7 P3 O8 C54 -25.4(9) . . . . ?
O9 P3 O8 C54 -145.9(8) . . . . ?
C39 P3 O8 C54 109.7(8) . . . . ?
C57 C56 O9 P3 -132.6(9) . . . . ?
O7 P3 O9 C56 -51.3(8) . . . . ?
O8 P3 O9 C56 76.1(8) . . . . ?
C39 P3 O9 C56 -172.5(8) . . . . ?
O12 N1 O10 Dy1 -179.3(6) . . . . ?
O11 N1 O10 Dy1 0.9(7) . . . . ?
O12 N1 O11 Dy1 179.3(7) . . . . ?
O10 N1 O11 Dy1 -0.8(7) . . . . ?
O15 N2 O13 Dy1 -174.4(9) . . . . ?
O14 N2 O13 Dy1 3.3(9) . . . . ?
O15 N2 O14 Dy1 174.5(10) . . . . ?
O13 N2 O14 Dy1 -3.2(9) . . . . ?
O18 N3 O16 Dy1 179.0(7) . . . . ?
O17 N3 O16 Dy1 -3.4(7) . . . . ?
O18 N3 O17 Dy1 -179.0(7) . . . . ?
O16 N3 O17 Dy1 3.4(7) . . . . ?
C59 C58 P4 O19 115.9(12) . . . . ?
C59 C58 P4 O20 -11.5(14) . . . . ?
C59 C58 P4 O21 -120.9(11) . . . . ?
C74 C73 O20 P4 -77.1(14) . . . . ?
O19 P4 O20 C73 89.5(11) . . . . ?
O21 P4 O20 C73 -35.3(11) . . . . ?
C58 P4 O20 C73 -144.0(11) . . . . ?
C76 C75 O21 P4 109.2(13) . . . . ?
O19 P4 O21 C75 -10.7(12) . . . . ?
O20 P4 O21 C75 115.1(10) . . . . ?
C58 P4 O21 C75 -133.9(10) . . . . ?
C59 C58' P4' O19' -111(2) . . . . ?
C59 C58' P4' O20' 14(3) . . . . ?
C59 C58' P4' O21' 123(2) . . . . ?
C76' C75' O21' P4' 47(4) . . . . ?
O19' P4' O21' C75' 68(2) . . . . ?
O20' P4' O21' C75' -56(2) . . . . ?
C58' P4' O21' C75' -166(2) . . . . ?
C74' C73' O20' P4' -92(3) . . . . ?
O19' P4' O20' C73' 3(3) . . . . ?
O21' P4' O20' C73' 127(2) . . . . ?
C58' P4' O20' C73' -123(2) . . . . ?
