# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1938540'
loop_
_audit_author_name
_audit_author_address
'Xinda Huang'
;Nanjing University
China
;
_audit_update_record             
;
2019-07-05 deposited with the CCDC.	2019-08-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        1
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H50 Dy N3 O18 P3'
_chemical_formula_sum            'C32 H50 Dy N3 O18 P3'
_chemical_formula_weight         1020.16

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.6556(11)
_cell_length_b                   11.6039(14)
_cell_length_c                   20.509(2)
_cell_angle_alpha                86.546(3)
_cell_angle_beta                 79.135(3)
_cell_angle_gamma                63.049(3)
_cell_volume                     2219.0(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9925
_cell_measurement_theta_min      2.182
_cell_measurement_theta_max      27.355

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.527
_exptl_crystal_F_000             1036
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    1.863
_shelx_estimated_absorpt_T_min   0.523
_shelx_estimated_absorpt_T_max   0.707
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5332
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_process_details   'SADABS 2014/5'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            19527
_diffrn_reflns_av_unetI/netI     0.0564
_diffrn_reflns_av_R_equivalents  0.0431
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.182
_diffrn_reflns_theta_max         27.368
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             9969
_reflns_number_gt                9249
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0484P)²+3.7645P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9969
_refine_ls_number_parameters     523
_refine_ls_number_restraints     408
_refine_ls_R_factor_all          0.0446
_refine_ls_R_factor_gt           0.0408
_refine_ls_wR_factor_ref         0.1115
_refine_ls_wR_factor_gt          0.1094
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_restrained_S_all      1.227
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

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 0.63798(2) 0.65071(2) 0.78154(2) 0.02380(7) Uani 1 1 d . . . . .
P1 P 0.80036(9) 0.55982(9) 0.60936(4) 0.02138(18) Uani 1 1 d . U . . .
P2 P 0.78750(11) 0.83174(11) 0.84631(5) 0.0294(2) Uani 1 1 d . U . . .
P3 P 0.48186(11) 0.89462(11) 0.91067(5) 0.0321(2) Uani 1 1 d . U . . .
C1 C 0.6416(4) 0.5741(4) 0.58523(17) 0.0234(7) Uani 1 1 d . U . . .
H1A H 0.608206 0.517778 0.613624 0.028 Uiso 1 1 calc R U . . .
H1B H 0.566591 0.664382 0.594541 0.028 Uiso 1 1 calc R U . . .
C2 C 0.6548(4) 0.5400(4) 0.51338(17) 0.0219(7) Uani 1 1 d . U . . .
C3 C 0.6260(4) 0.6377(4) 0.46574(17) 0.0242(7) Uani 1 1 d . U . . .
C4 C 0.5916(4) 0.7691(4) 0.4804(2) 0.0321(8) Uani 1 1 d . U . . .
H4 H 0.587240 0.793901 0.524424 0.039 Uiso 1 1 calc R U . . .
C5 C 0.5650(5) 0.8592(5) 0.4322(2) 0.0397(9) Uani 1 1 d . U . . .
H5 H 0.543871 0.945235 0.443161 0.048 Uiso 1 1 calc R U . . .
C6 C 0.5683(6) 0.8269(5) 0.3664(2) 0.0446(10) Uani 1 1 d . U . . .
H6 H 0.548728 0.891159 0.333679 0.053 Uiso 1 1 calc R U . . .
C7 C 0.5991(5) 0.7050(5) 0.3501(2) 0.0384(9) Uani 1 1 d . U . . .
H7 H 0.600175 0.684250 0.305820 0.046 Uiso 1 1 calc R U . . .
C8 C 0.6303(4) 0.6064(4) 0.39837(18) 0.0276(7) Uani 1 1 d . U . . .
C9 C 0.6658(4) 0.4793(4) 0.38092(18) 0.0291(8) Uani 1 1 d . U . . .
H9 H 0.668658 0.458766 0.336339 0.035 Uiso 1 1 calc R U . . .
C10 C 0.6970(4) 0.3822(4) 0.42715(19) 0.0276(7) Uani 1 1 d . U . . .
C11 C 0.7341(4) 0.2519(4) 0.4085(2) 0.0361(9) Uani 1 1 d . U . . .
H11 H 0.738295 0.231843 0.363637 0.043 Uiso 1 1 calc R U . . .
C12 C 0.7634(5) 0.1565(5) 0.4537(3) 0.0432(10) Uani 1 1 d . U . . .
H12 H 0.788063 0.070621 0.440511 0.052 Uiso 1 1 calc R U . . .
C13 C 0.7566(5) 0.1870(5) 0.5210(3) 0.0410(10) Uani 1 1 d . U . . .
H13 H 0.776791 0.120716 0.552684 0.049 Uiso 1 1 calc R U . . .
C14 C 0.7220(4) 0.3086(4) 0.5406(2) 0.0318(8) Uani 1 1 d . U . . .
H14 H 0.718282 0.325703 0.585789 0.038 Uiso 1 1 calc R U . . .
C15 C 0.6907(4) 0.4125(4) 0.49502(18) 0.0241(7) Uani 1 1 d . U . . .
C16 C 1.0374(5) 0.3492(5) 0.6251(3) 0.0488(12) Uani 1 1 d . U . . .
H16A H 1.125454 0.332098 0.592393 0.059 Uiso 1 1 calc R U . . .
H16B H 1.032063 0.403379 0.662022 0.059 Uiso 1 1 calc R U . . .
C17 C 1.0423(9) 0.2288(8) 0.6502(5) 0.104(3) Uani 1 1 d . U . . .
H17A H 0.952267 0.245866 0.680289 0.156 Uiso 1 1 calc R U . . .
H17B H 1.122120 0.186215 0.674345 0.156 Uiso 1 1 calc R U . . .
H17C H 1.055982 0.172557 0.613055 0.156 Uiso 1 1 calc R U . . .
C18 C 0.9409(5) 0.6989(5) 0.5734(3) 0.0448(11) Uani 1 1 d . U . . .
H18A H 1.026791 0.670128 0.537956 0.054 Uiso 1 1 calc R U . . .
H18B H 0.972591 0.667485 0.616270 0.054 Uiso 1 1 calc R U . . .
C19 C 0.8631(11) 0.8399(8) 0.5761(6) 0.114(3) Uani 1 1 d . U . . .
H19A H 0.812039 0.869301 0.538615 0.171 Uiso 1 1 calc R U . . .
H19B H 0.930828 0.876192 0.573514 0.171 Uiso 1 1 calc R U . . .
H19C H 0.794166 0.868713 0.617862 0.171 Uiso 1 1 calc R U . . .
C20 C 0.6596(4) 0.8578(4) 0.9216(2) 0.0320(6) Uani 1 1 d . U . . .
H20A H 0.654021 0.929783 0.947455 0.038 Uiso 1 1 calc R U . . .
H20B H 0.695317 0.779219 0.948295 0.038 Uiso 1 1 calc R U . . .
C21 C 0.8411(6) 0.9904(6) 0.7609(3) 0.0579(10) Uani 1 1 d D U . . .
H21 H 0.895460 0.907097 0.734576 0.069 Uiso 1 1 calc R U . . .
C22 C 0.9443(8) 1.0305(8) 0.7795(4) 0.0809(15) Uani 1 1 d D U . . .
H22A H 0.891623 1.114736 0.803060 0.121 Uiso 1 1 calc R U . . .
H22B H 1.006742 1.037056 0.739326 0.121 Uiso 1 1 calc R U . . .
H22C H 1.002448 0.966135 0.808500 0.121 Uiso 1 1 calc R U . . .
C23 C 0.7389(8) 1.0869(7) 0.7226(3) 0.0799(18) Uani 1 1 d D U . . .
H23A H 0.675593 1.053663 0.711454 0.120 Uiso 1 1 calc R U . . .
H23B H 0.791489 1.103796 0.681642 0.120 Uiso 1 1 calc R U . . .
H23C H 0.681680 1.167302 0.749178 0.120 Uiso 1 1 calc R U . . .
C24 C 1.0427(5) 0.6418(6) 0.8631(2) 0.0527(10) Uani 1 1 d D U . . .
H24 H 0.991782 0.586884 0.873767 0.063 Uiso 1 1 calc R U . . .
C25 C 1.1299(7) 0.6253(8) 0.9143(3) 0.0759(17) Uani 1 1 d D U . . .
H25A H 1.173712 0.684268 0.906122 0.114 Uiso 1 1 calc R U . . .
H25B H 1.205179 0.535852 0.912384 0.114 Uiso 1 1 calc R U . . .
H25C H 1.068667 0.644820 0.958288 0.114 Uiso 1 1 calc R U . . .
C26 C 1.1289(7) 0.6071(7) 0.7953(3) 0.0765(18) Uani 1 1 d D U . . .
H26A H 1.068808 0.607750 0.764382 0.115 Uiso 1 1 calc R U . . .
H26B H 1.209196 0.520624 0.795003 0.115 Uiso 1 1 calc R U . . .
H26C H 1.165707 0.670119 0.781637 0.115 Uiso 1 1 calc R U . . .
C27 C 0.2914(7) 1.1093(7) 0.8684(5) 0.0826(12) Uani 1 1 d D U . . .
H27 H 0.331929 1.058213 0.825523 0.099 Uiso 1 1 calc R U . . .
C28 C 0.2823(10) 1.2266(8) 0.8383(5) 0.118(2) Uani 1 1 d D U . . .
H28A H 0.194447 1.289085 0.826962 0.141 Uiso 1 1 calc R U . . .
H28B H 0.364020 1.242107 0.829738 0.141 Uiso 1 1 calc R U . . .
C29 C 0.1690(8) 1.0858(10) 0.8814(6) 0.113(2) Uani 1 1 d D U . . .
H29A H 0.112134 1.123632 0.924982 0.169 Uiso 1 1 calc R U . . .
H29B H 0.199846 0.992371 0.881102 0.169 Uiso 1 1 calc R U . . .
H29C H 0.110655 1.125264 0.847046 0.169 Uiso 1 1 calc R U . . .
C30 C 0.3561(5) 0.7837(6) 1.0008(3) 0.0553(9) Uani 1 1 d D U . . .
H30 H 0.372843 0.727959 0.961606 0.066 Uiso 1 1 calc R U . . .
C31 C 0.4447(9) 0.7075(9) 1.0490(4) 0.095(2) Uani 1 1 d D U . . .
H31A H 0.545587 0.666748 1.027374 0.142 Uiso 1 1 calc R U . . .
H31B H 0.416302 0.640529 1.066173 0.142 Uiso 1 1 calc R U . . .
H31C H 0.431697 0.764325 1.085817 0.142 Uiso 1 1 calc R U . . .
C32 C 0.2023(7) 0.8505(8) 1.0292(4) 0.0843(17) Uani 1 1 d D U . . .
H32A H 0.186462 0.910285 1.065103 0.126 Uiso 1 1 calc R U . . .
H32B H 0.169115 0.786737 1.046827 0.126 Uiso 1 1 calc R U . . .
H32C H 0.148840 0.899115 0.994528 0.126 Uiso 1 1 calc R U . . .
N1 N 0.8190(5) 0.4707(4) 0.8675(2) 0.0468(10) Uani 1 1 d . . . . .
N2 N 0.5233(4) 0.4676(4) 0.78999(18) 0.0340(8) Uani 1 1 d . . . . .
N3 N 0.4325(4) 0.8473(3) 0.71137(18) 0.0374(8) Uani 1 1 d . . . . .
O1 O 0.7798(3) 0.5989(3) 0.67959(12) 0.0298(6) Uani 1 1 d . U . . .
O2 O 0.9125(3) 0.4169(3) 0.59374(16) 0.0398(7) Uani 1 1 d . U . . .
O3 O 0.8480(4) 0.6461(4) 0.56022(15) 0.0409(7) Uani 1 1 d . U . . .
O4 O 0.7809(3) 0.7462(3) 0.79731(13) 0.0318(6) Uani 1 1 d . U . . .
O5 O 0.4808(3) 0.8087(3) 0.86016(14) 0.0333(6) Uani 1 1 d . U . . .
O6 O 0.8402(4) 0.4514(4) 0.80535(18) 0.0529(9) Uani 1 1 d . . . . .
O7 O 0.7136(4) 0.5752(4) 0.89059(15) 0.0457(8) Uani 1 1 d . . . . .
O8 O 0.8970(6) 0.3931(5) 0.9029(2) 0.0800(15) Uani 1 1 d . . . . .
O9 O 0.6076(4) 0.4714(3) 0.73848(15) 0.0410(7) Uani 1 1 d . . . . .
O10 O 0.4955(4) 0.5481(3) 0.83691(14) 0.0390(7) Uani 1 1 d . . . . .
O11 O 0.4712(4) 0.3933(4) 0.79500(19) 0.0527(9) Uani 1 1 d . . . . .
O12 O 0.5419(4) 0.8563(3) 0.71971(16) 0.0404(7) Uani 1 1 d . . . . .
O13 O 0.4252(4) 0.7446(3) 0.73124(16) 0.0379(7) Uani 1 1 d . . . . .
O14 O 0.3388(5) 0.9319(4) 0.6853(3) 0.0694(13) Uani 1 1 d . . . . .
O15 O 0.7554(3) 0.9708(3) 0.82236(16) 0.0407(6) Uani 1 1 d . U . . .
O16 O 0.9365(3) 0.7789(3) 0.86686(16) 0.0411(6) Uani 1 1 d . U . . .
O17 O 0.4166(4) 1.0411(3) 0.89460(18) 0.0462(6) Uani 1 1 d . U . . .
O18 O 0.3984(4) 0.8873(4) 0.98008(16) 0.0451(6) Uani 1 1 d . U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 O1 2.270(3) . ?
Dy1 O5 2.307(3) . ?
Dy1 O4 2.326(3) . ?
Dy1 O10 2.417(3) . ?
Dy1 O13 2.429(3) . ?
Dy1 O6 2.445(4) . ?
Dy1 O9 2.480(3) . ?
Dy1 O7 2.495(3) . ?
Dy1 O12 2.502(3) . ?
P1 O1 1.483(3) . ?
P1 O2 1.550(3) . ?
P1 O3 1.556(3) . ?
P1 C1 1.785(4) . ?
P2 O4 1.487(3) . ?
P2 O16 1.553(3) . ?
P2 O15 1.559(4) . ?
P2 C20 1.795(4) . ?
P3 O5 1.486(3) . ?
P3 O18 1.550(3) . ?
P3 O17 1.558(4) . ?
P3 C20 1.798(4) . ?
C1 C2 1.513(5) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C15 1.406(5) . ?
C2 C3 1.413(5) . ?
C3 C4 1.435(6) . ?
C3 C8 1.437(5) . ?
C4 C5 1.364(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.412(7) . ?
C5 H5 0.9500 . ?
C6 C7 1.348(7) . ?
C6 H6 0.9500 . ?
C7 C8 1.429(6) . ?
C7 H7 0.9500 . ?
C8 C9 1.398(6) . ?
C9 C10 1.389(6) . ?
C9 H9 0.9500 . ?
C10 C11 1.435(6) . ?
C10 C15 1.438(5) . ?
C11 C12 1.362(7) . ?
C11 H11 0.9500 . ?
C12 C13 1.427(7) . ?
C12 H12 0.9500 . ?
C13 C14 1.352(6) . ?
C13 H13 0.9500 . ?
C14 C15 1.433(6) . ?
C14 H14 0.9500 . ?
C16 C17 1.440(9) . ?
C16 O2 1.456(5) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 O3 1.449(5) . ?
C18 C19 1.459(10) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 O15 1.481(6) . ?
C21 C23 1.473(6) . ?
C21 C22 1.488(6) . ?
C21 H21 1.0000 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 O16 1.472(6) . ?
C24 C25 1.478(6) . ?
C24 C26 1.479(6) . ?
C24 H24 1.0000 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C29 1.424(6) . ?
C27 C28 1.431(7) . ?
C27 O17 1.398(7) . ?
C27 H27 1.0000 . ?
C28 H28A 0.9500 . ?
C28 H28B 0.9500 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 C31 1.464(6) . ?
C30 O18 1.479(6) . ?
C30 C32 1.473(6) . ?
C30 H30 1.0000 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
N1 O8 1.224(6) . ?
N1 O7 1.260(6) . ?
N1 O6 1.268(5) . ?
N2 O11 1.211(5) . ?
N2 O9 1.264(5) . ?
N2 O10 1.279(5) . ?
N3 O14 1.222(5) . ?
N3 O12 1.260(5) . ?
N3 O13 1.267(5) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Dy1 O5 148.45(12) . . ?
O1 Dy1 O4 83.00(10) . . ?
O5 Dy1 O4 80.02(10) . . ?
O1 Dy1 O10 127.30(10) . . ?
O5 Dy1 O10 79.41(11) . . ?
O4 Dy1 O10 144.28(10) . . ?
O1 Dy1 O13 90.63(10) . . ?
O5 Dy1 O13 79.20(10) . . ?
O4 Dy1 O13 127.61(11) . . ?
O10 Dy1 O13 76.13(11) . . ?
O1 Dy1 O6 79.44(12) . . ?
O5 Dy1 O6 124.40(12) . . ?
O4 Dy1 O6 83.73(13) . . ?
O10 Dy1 O6 84.23(13) . . ?
O13 Dy1 O6 145.98(12) . . ?
O1 Dy1 O9 75.18(10) . . ?
O5 Dy1 O9 127.76(10) . . ?
O4 Dy1 O9 151.20(11) . . ?
O10 Dy1 O9 52.15(10) . . ?
O13 Dy1 O9 71.93(11) . . ?
O6 Dy1 O9 74.08(13) . . ?
O1 Dy1 O7 126.93(11) . . ?
O5 Dy1 O7 72.97(12) . . ?
O4 Dy1 O7 73.97(11) . . ?
O10 Dy1 O7 72.23(11) . . ?
O13 Dy1 O7 140.90(12) . . ?
O6 Dy1 O7 51.44(12) . . ?
O9 Dy1 O7 104.49(12) . . ?
O1 Dy1 O12 76.03(11) . . ?
O5 Dy1 O12 74.29(11) . . ?
O4 Dy1 O12 76.66(11) . . ?
O10 Dy1 O12 124.42(11) . . ?
O13 Dy1 O12 51.52(11) . . ?
O6 Dy1 O12 150.14(13) . . ?
O9 Dy1 O12 114.94(11) . . ?
O7 Dy1 O12 139.00(12) . . ?
O1 P1 O2 112.53(17) . . ?
O1 P1 O3 112.01(18) . . ?
O2 P1 O3 108.0(2) . . ?
O1 P1 C1 113.82(16) . . ?
O2 P1 C1 105.48(17) . . ?
O3 P1 C1 104.37(17) . . ?
O4 P2 O16 113.34(18) . . ?
O4 P2 O15 114.96(18) . . ?
O16 P2 O15 104.33(19) . . ?
O4 P2 C20 112.59(18) . . ?
O16 P2 C20 106.64(19) . . ?
O15 P2 C20 104.08(19) . . ?
O5 P3 O18 112.65(18) . . ?
O5 P3 O17 115.3(2) . . ?
O18 P3 O17 105.3(2) . . ?
O5 P3 C20 112.86(17) . . ?
O18 P3 C20 106.6(2) . . ?
O17 P3 C20 103.2(2) . . ?
C2 C1 P1 116.2(2) . . ?
C2 C1 H1A 108.2 . . ?
P1 C1 H1A 108.2 . . ?
C2 C1 H1B 108.2 . . ?
P1 C1 H1B 108.2 . . ?
H1A C1 H1B 107.4 . . ?
C15 C2 C3 120.6(3) . . ?
C15 C2 C1 119.7(3) . . ?
C3 C2 C1 119.6(3) . . ?
C2 C3 C4 123.8(3) . . ?
C2 C3 C8 119.4(4) . . ?
C4 C3 C8 116.8(4) . . ?
C5 C4 C3 121.1(4) . . ?
C5 C4 H4 119.5 . . ?
C3 C4 H4 119.5 . . ?
C4 C5 C6 121.3(4) . . ?
C4 C5 H5 119.4 . . ?
C6 C5 H5 119.4 . . ?
C7 C6 C5 120.0(4) . . ?
C7 C6 H6 120.0 . . ?
C5 C6 H6 120.0 . . ?
C6 C7 C8 121.0(4) . . ?
C6 C7 H7 119.5 . . ?
C8 C7 H7 119.5 . . ?
C9 C8 C7 120.9(4) . . ?
C9 C8 C3 119.3(4) . . ?
C7 C8 C3 119.8(4) . . ?
C10 C9 C8 121.6(3) . . ?
C10 C9 H9 119.2 . . ?
C8 C9 H9 119.2 . . ?
C9 C10 C11 121.0(4) . . ?
C9 C10 C15 119.7(4) . . ?
C11 C10 C15 119.3(4) . . ?
C12 C11 C10 121.4(4) . . ?
C12 C11 H11 119.3 . . ?
C10 C11 H11 119.3 . . ?
C11 C12 C13 119.2(4) . . ?
C11 C12 H12 120.4 . . ?
C13 C12 H12 120.4 . . ?
C14 C13 C12 121.2(4) . . ?
C14 C13 H13 119.4 . . ?
C12 C13 H13 119.4 . . ?
C13 C14 C15 121.9(4) . . ?
C13 C14 H14 119.1 . . ?
C15 C14 H14 119.1 . . ?
C2 C15 C14 123.6(3) . . ?
C2 C15 C10 119.4(4) . . ?
C14 C15 C10 117.1(4) . . ?
C17 C16 O2 109.3(5) . . ?
C17 C16 H16A 109.8 . . ?
O2 C16 H16A 109.8 . . ?
C17 C16 H16B 109.8 . . ?
O2 C16 H16B 109.8 . . ?
H16A C16 H16B 108.3 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
O3 C18 C19 109.2(5) . . ?
O3 C18 H18A 109.8 . . ?
C19 C18 H18A 109.8 . . ?
O3 C18 H18B 109.8 . . ?
C19 C18 H18B 109.8 . . ?
H18A C18 H18B 108.3 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
P2 C20 P3 115.4(2) . . ?
P2 C20 H20A 108.4 . . ?
P3 C20 H20A 108.4 . . ?
P2 C20 H20B 108.4 . . ?
P3 C20 H20B 108.4 . . ?
H20A C20 H20B 107.5 . . ?
O15 C21 C23 106.8(5) . . ?
O15 C21 C22 108.8(5) . . ?
C23 C21 C22 113.9(6) . . ?
O15 C21 H21 109.1 . . ?
C23 C21 H21 109.1 . . ?
C22 C21 H21 109.1 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
O16 C24 C25 106.5(5) . . ?
O16 C24 C26 110.0(5) . . ?
C25 C24 C26 112.9(5) . . ?
O16 C24 H24 109.2 . . ?
C25 C24 H24 109.2 . . ?
C26 C24 H24 109.2 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C29 C27 C28 120.1(7) . . ?
C29 C27 O17 125.8(7) . . ?
C28 C27 O17 112.7(6) . . ?
C29 C27 H27 93.9 . . ?
C28 C27 H27 93.9 . . ?
O17 C27 H27 93.9 . . ?
C27 C28 H28A 120.0 . . ?
C27 C28 H28B 120.0 . . ?
H28A C28 H28B 120.0 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C31 C30 O18 106.6(5) . . ?
C31 C30 C32 113.4(6) . . ?
O18 C30 C32 105.6(5) . . ?
C31 C30 H30 110.3 . . ?
O18 C30 H30 110.3 . . ?
C32 C30 H30 110.3 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
O8 N1 O7 122.1(5) . . ?
O8 N1 O6 121.9(5) . . ?
O7 N1 O6 116.0(4) . . ?
O11 N2 O9 122.6(4) . . ?
O11 N2 O10 121.6(4) . . ?
O9 N2 O10 115.8(3) . . ?
O14 N3 O12 122.3(4) . . ?
O14 N3 O13 121.6(4) . . ?
O12 N3 O13 116.1(3) . . ?
P1 O1 Dy1 148.12(17) . . ?
C16 O2 P1 124.4(3) . . ?
C18 O3 P1 123.7(3) . . ?
P2 O4 Dy1 139.55(17) . . ?
P3 O5 Dy1 139.85(17) . . ?
N1 O6 Dy1 97.4(3) . . ?
N1 O7 Dy1 95.2(2) . . ?
N2 O9 Dy1 94.7(2) . . ?
N2 O10 Dy1 97.3(2) . . ?
N3 O12 Dy1 94.4(2) . . ?
N3 O13 Dy1 97.7(2) . . ?
C21 O15 P2 120.6(3) . . ?
C24 O16 P2 125.0(3) . . ?
C27 O17 P3 125.2(4) . . ?
C30 O18 P3 125.0(3) . . ?

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 177.9(3) . . . . ?
O2 P1 C1 C2 -58.2(3) . . . . ?
O3 P1 C1 C2 55.5(3) . . . . ?
P1 C1 C2 C15 90.9(4) . . . . ?
P1 C1 C2 C3 -91.3(4) . . . . ?
C15 C2 C3 C4 -178.6(3) . . . . ?
C1 C2 C3 C4 3.5(5) . . . . ?
C15 C2 C3 C8 1.5(5) . . . . ?
C1 C2 C3 C8 -176.3(3) . . . . ?
C2 C3 C4 C5 179.9(4) . . . . ?
C8 C3 C4 C5 -0.3(6) . . . . ?
C3 C4 C5 C6 0.9(7) . . . . ?
C4 C5 C6 C7 -0.5(8) . . . . ?
C5 C6 C7 C8 -0.6(7) . . . . ?
C6 C7 C8 C9 -178.4(4) . . . . ?
C6 C7 C8 C3 1.3(6) . . . . ?
C2 C3 C8 C9 -1.3(5) . . . . ?
C4 C3 C8 C9 178.8(3) . . . . ?
C2 C3 C8 C7 179.0(3) . . . . ?
C4 C3 C8 C7 -0.8(5) . . . . ?
C7 C8 C9 C10 179.7(4) . . . . ?
C3 C8 C9 C10 0.0(6) . . . . ?
C8 C9 C10 C11 -179.6(4) . . . . ?
C8 C9 C10 C15 1.0(6) . . . . ?
C9 C10 C11 C12 -179.3(4) . . . . ?
C15 C10 C11 C12 0.1(6) . . . . ?
C10 C11 C12 C13 0.2(7) . . . . ?
C11 C12 C13 C14 -0.1(7) . . . . ?
C12 C13 C14 C15 -0.1(7) . . . . ?
C3 C2 C15 C14 179.6(3) . . . . ?
C1 C2 C15 C14 -2.5(5) . . . . ?
C3 C2 C15 C10 -0.5(5) . . . . ?
C1 C2 C15 C10 177.3(3) . . . . ?
C13 C14 C15 C2 -179.8(4) . . . . ?
C13 C14 C15 C10 0.3(6) . . . . ?
C9 C10 C15 C2 -0.8(5) . . . . ?
C11 C10 C15 C2 179.8(3) . . . . ?
C9 C10 C15 C14 179.1(3) . . . . ?
C11 C10 C15 C14 -0.3(5) . . . . ?
O4 P2 C20 P3 -45.6(3) . . . . ?
O16 P2 C20 P3 -170.5(2) . . . . ?
O15 P2 C20 P3 79.6(3) . . . . ?
O5 P3 C20 P2 45.2(3) . . . . ?
O18 P3 C20 P2 169.4(2) . . . . ?
O17 P3 C20 P2 -79.9(3) . . . . ?
O2 P1 O1 Dy1 -107.8(4) . . . . ?
O3 P1 O1 Dy1 130.3(3) . . . . ?
C1 P1 O1 Dy1 12.2(4) . . . . ?
C17 C16 O2 P1 128.8(6) . . . . ?
O1 P1 O2 C16 -32.8(5) . . . . ?
O3 P1 O2 C16 91.4(4) . . . . ?
C1 P1 O2 C16 -157.4(4) . . . . ?
C19 C18 O3 P1 -117.1(6) . . . . ?
O1 P1 O3 C18 35.0(4) . . . . ?
O2 P1 O3 C18 -89.5(4) . . . . ?
C1 P1 O3 C18 158.6(4) . . . . ?
O16 P2 O4 Dy1 130.3(3) . . . . ?
O15 P2 O4 Dy1 -109.8(3) . . . . ?
C20 P2 O4 Dy1 9.2(4) . . . . ?
O18 P3 O5 Dy1 -128.8(3) . . . . ?
O17 P3 O5 Dy1 110.3(3) . . . . ?
C20 P3 O5 Dy1 -7.9(4) . . . . ?
O8 N1 O6 Dy1 180.0(5) . . . . ?
O7 N1 O6 Dy1 -0.7(5) . . . . ?
O8 N1 O7 Dy1 180.0(5) . . . . ?
O6 N1 O7 Dy1 0.7(4) . . . . ?
O11 N2 O9 Dy1 178.9(4) . . . . ?
O10 N2 O9 Dy1 -0.8(4) . . . . ?
O11 N2 O10 Dy1 -178.8(4) . . . . ?
O9 N2 O10 Dy1 0.9(4) . . . . ?
O14 N3 O12 Dy1 175.7(4) . . . . ?
O13 N3 O12 Dy1 -4.7(4) . . . . ?
O14 N3 O13 Dy1 -175.6(4) . . . . ?
O12 N3 O13 Dy1 4.8(4) . . . . ?
C23 C21 O15 P2 133.4(5) . . . . ?
C22 C21 O15 P2 -103.3(5) . . . . ?
O4 P2 O15 C21 -57.0(4) . . . . ?
O16 P2 O15 C21 67.7(4) . . . . ?
C20 P2 O15 C21 179.4(3) . . . . ?
C25 C24 O16 P2 -153.2(4) . . . . ?
C26 C24 O16 P2 84.3(6) . . . . ?
O4 P2 O16 C24 -24.1(4) . . . . ?
O15 P2 O16 C24 -149.9(4) . . . . ?
C20 P2 O16 C24 100.3(4) . . . . ?
C29 C27 O17 P3 33.2(12) . . . . ?
C28 C27 O17 P3 -160.3(6) . . . . ?
O5 P3 O17 C27 42.2(6) . . . . ?
O18 P3 O17 C27 -82.6(6) . . . . ?
C20 P3 O17 C27 165.8(5) . . . . ?
C31 C30 O18 P3 109.6(5) . . . . ?
C32 C30 O18 P3 -129.5(5) . . . . ?
O5 P3 O18 C30 16.2(5) . . . . ?
O17 P3 O18 C30 142.7(4) . . . . ?
C20 P3 O18 C30 -108.1(4) . . . . ?

_refine_diff_density_max         1.598
_refine_diff_density_min         -1.579
_refine_diff_density_rms         0.120


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Tetrahydrofuran'
_chemical_properties_physical    Photo-sensitive
_exptl_crystal_preparation       'Magnetic properties,Luminescent'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_4
_database_code_depnum_ccdc_archive 'CCDC 1938543'
loop_
_audit_author_name
_audit_author_address
'Xinda Huang'
;Nanjing University
China
;
_audit_update_record             
;
2019-07-05 deposited with the CCDC.	2019-08-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        4
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C26 H39 Dy N3 O18 P3'
_chemical_formula_sum            'C26 H39 Dy N3 O18 P3'
_chemical_formula_weight         937.01

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   24.425(3)
_cell_length_b                   8.8853(9)
_cell_length_c                   18.2266(18)
_cell_angle_alpha                90
_cell_angle_beta                 111.8260(10)
_cell_angle_gamma                90
_cell_volume                     3672.0(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9927
_cell_measurement_theta_min      2.2345
_cell_measurement_theta_max      26.9115

_exptl_crystal_description       rod
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.695
_exptl_crystal_F_000             1884
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.800
_exptl_crystal_size_mid          0.600
_exptl_crystal_size_min          0.400
_exptl_absorpt_coefficient_mu    2.244
_shelx_estimated_absorpt_T_min   0.267
_shelx_estimated_absorpt_T_max   0.467
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.217
_exptl_absorpt_correction_T_max  0.467
_exptl_absorpt_process_details   'SADABS 2014/5'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX duo'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            31190
_diffrn_reflns_av_unetI/netI     0.0863
_diffrn_reflns_av_R_equivalents  0.1267
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.796
_diffrn_reflns_theta_max         27.045
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             8013
_reflns_number_gt                6540
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0450P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.00187(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         8013
_refine_ls_number_parameters     467
_refine_ls_number_restraints     399
_refine_ls_R_factor_all          0.0590
_refine_ls_R_factor_gt           0.0438
_refine_ls_wR_factor_ref         0.0959
_refine_ls_wR_factor_gt          0.0896
_refine_ls_goodness_of_fit_ref   0.991
_refine_ls_restrained_S_all      1.017
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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 0.78890(2) 0.36185(2) 0.64529(2) 0.02161(8) Uani 1 1 d . . . . .
P1 P 0.67359(4) 0.43876(11) 0.45138(5) 0.0199(2) Uani 1 1 d . U . . .
P2 P 0.80073(5) -0.00775(12) 0.57619(6) 0.0286(2) Uani 1 1 d . U . . .
P3 P 0.89606(4) 0.07308(13) 0.73126(7) 0.0320(2) Uani 1 1 d . U . . .
C1 C 0.60443(15) 0.3970(4) 0.4601(2) 0.0216(7) Uani 1 1 d . U . . .
H1A H 0.585614 0.313945 0.423100 0.026 Uiso 1 1 calc R U . . .
H1B H 0.612787 0.358791 0.514256 0.026 Uiso 1 1 calc R U . . .
C2 C 0.55979(14) 0.5241(4) 0.4446(2) 0.0192(7) Uani 1 1 d . U . . .
C3 C 0.56039(15) 0.6193(4) 0.5066(2) 0.0199(7) Uani 1 1 d . U . . .
C4 C 0.60460(16) 0.6113(4) 0.5846(2) 0.0249(8) Uani 1 1 d . U . . .
H4 H 0.634613 0.537003 0.596246 0.030 Uiso 1 1 calc R U . . .
C5 C 0.60445(18) 0.7076(5) 0.6423(2) 0.0315(9) Uani 1 1 d . U . . .
H5 H 0.634931 0.701481 0.693083 0.038 Uiso 1 1 calc R U . . .
C6 C 0.55977(19) 0.8167(5) 0.6279(3) 0.0327(9) Uani 1 1 d . U . . .
H6 H 0.559941 0.882144 0.669230 0.039 Uiso 1 1 calc R U . . .
C7 C 0.51679(18) 0.8282(4) 0.5557(3) 0.0278(8) Uani 1 1 d . U . . .
H7 H 0.486803 0.901853 0.546885 0.033 Uiso 1 1 calc R U . . .
C8 C 0.51537(15) 0.7323(4) 0.4922(2) 0.0217(7) Uani 1 1 d . U . . .
C9 C 0.47166(15) 0.7442(4) 0.4175(2) 0.0235(8) Uani 1 1 d . U . . .
H9 H 0.441573 0.817586 0.408441 0.028 Uiso 1 1 calc R U . . .
C10 C 0.47071(16) 0.6513(4) 0.3555(2) 0.0225(8) Uani 1 1 d . U . . .
C11 C 0.42515(17) 0.6626(4) 0.2795(2) 0.0271(8) Uani 1 1 d . U . . .
H11 H 0.395014 0.735765 0.270731 0.032 Uiso 1 1 calc R U . . .
C12 C 0.42376(18) 0.5710(5) 0.2191(2) 0.0340(9) Uani 1 1 d . U . . .
H12 H 0.392410 0.578780 0.169105 0.041 Uiso 1 1 calc R U . . .
C13 C 0.46909(19) 0.4640(5) 0.2308(2) 0.0326(9) Uani 1 1 d . U . . .
H13 H 0.468596 0.401623 0.188271 0.039 Uiso 1 1 calc R U . . .
C14 C 0.51342(17) 0.4500(5) 0.3027(2) 0.0294(9) Uani 1 1 d . U . . .
H14 H 0.543568 0.377806 0.309244 0.035 Uiso 1 1 calc R U . . .
C15 C 0.51605(15) 0.5410(4) 0.3692(2) 0.0213(7) Uani 1 1 d . U . . .
C16 C 0.7358(2) 0.2657(7) 0.3922(3) 0.0478(13) Uani 1 1 d . U . . .
H16A H 0.740318 0.327168 0.350187 0.072 Uiso 1 1 calc R U . . .
H16B H 0.735231 0.158959 0.378395 0.072 Uiso 1 1 calc R U . . .
H16C H 0.769003 0.284701 0.441984 0.072 Uiso 1 1 calc R U . . .
C18 C 0.7031(3) 0.6463(6) 0.3698(4) 0.0589(15) Uani 1 1 d . U . . .
H18A H 0.743329 0.634440 0.408772 0.088 Uiso 1 1 calc R U . . .
H18B H 0.694610 0.753488 0.358652 0.088 Uiso 1 1 calc R U . . .
H18C H 0.699639 0.593899 0.320939 0.088 Uiso 1 1 calc R U . . .
C20 C 0.84245(18) -0.0629(5) 0.6762(3) 0.0325(8) Uani 1 1 d . U . . .
H20A H 0.814861 -0.081207 0.703620 0.039 Uiso 1 1 calc R U . . .
H20B H 0.862831 -0.158888 0.675607 0.039 Uiso 1 1 calc R U . . .
C21 C 0.70123(18) -0.1467(4) 0.5554(3) 0.0302(8) Uani 1 1 d . U . . .
H21A H 0.708861 -0.107533 0.609165 0.036 Uiso 1 1 calc R U . . .
H21B H 0.690261 -0.254197 0.554330 0.036 Uiso 1 1 calc R U . . .
C22 C 0.65191(19) -0.0625(5) 0.4976(3) 0.0422(11) Uani 1 1 d . U . . .
H22A H 0.661998 0.044614 0.500284 0.063 Uiso 1 1 calc R U . . .
H22B H 0.616374 -0.075836 0.509807 0.063 Uiso 1 1 calc R U . . .
H22C H 0.644588 -0.100436 0.444280 0.063 Uiso 1 1 calc R U . . .
C23 C 0.8643(3) -0.1315(7) 0.5039(5) 0.0764(15) Uani 1 1 d . U . . .
H23A H 0.831516 -0.182478 0.461677 0.092 Uiso 1 1 calc R U . . .
H23B H 0.880369 -0.202779 0.548531 0.092 Uiso 1 1 calc R U . . .
C24 C 0.9090(3) -0.0964(8) 0.4748(4) 0.0750(18) Uani 1 1 d . U . . .
H24A H 0.896412 -0.010885 0.438362 0.113 Uiso 1 1 calc R U . . .
H24B H 0.916245 -0.183715 0.446834 0.113 Uiso 1 1 calc R U . . .
H24C H 0.945352 -0.070095 0.519044 0.113 Uiso 1 1 calc R U . . .
C25 C 0.8945(3) 0.0723(8) 0.8762(4) 0.0703(14) Uani 1 1 d . U . . .
H25A H 0.854617 0.114216 0.847993 0.084 Uiso 1 1 calc R U . . .
H25B H 0.890777 -0.014676 0.908005 0.084 Uiso 1 1 calc R U . . .
C26 C 0.9304(4) 0.1818(11) 0.9261(5) 0.112(3) Uani 1 1 d . U . . .
H26A H 0.965705 0.133953 0.964199 0.168 Uiso 1 1 calc R U . . .
H26B H 0.908646 0.232731 0.954536 0.168 Uiso 1 1 calc R U . . .
H26C H 0.942080 0.255466 0.894666 0.168 Uiso 1 1 calc R U . . .
C27 C 0.9968(2) 0.1542(7) 0.7202(4) 0.0645(14) Uani 1 1 d . U . . .
H27A H 0.980386 0.257294 0.709907 0.077 Uiso 1 1 calc R U . . .
H27B H 1.023133 0.147978 0.776585 0.077 Uiso 1 1 calc R U . . .
C28 C 1.0298(3) 0.1253(9) 0.6721(5) 0.091(2) Uani 1 1 d . U . . .
H28A H 1.039700 0.018087 0.674618 0.136 Uiso 1 1 calc R U . . .
H28B H 1.066175 0.184914 0.691052 0.136 Uiso 1 1 calc R U . . .
H28C H 1.006346 0.153110 0.617319 0.136 Uiso 1 1 calc R U . . .
N1 N 0.70731(15) 0.1759(4) 0.68729(19) 0.0275(7) Uani 1 1 d . U . . .
N2 N 0.7847(2) 0.5878(5) 0.7543(2) 0.0519(11) Uani 1 1 d . U . . .
N3 N 0.87701(16) 0.4969(5) 0.5967(2) 0.0428(9) Uani 1 1 d . U . . .
O1 O 0.72441(11) 0.4566(3) 0.52649(15) 0.0260(6) Uani 1 1 d . U . . .
O2 O 0.68133(12) 0.3043(4) 0.40134(17) 0.0365(7) Uani 1 1 d . U . . .
O3 O 0.66239(13) 0.5841(4) 0.4003(2) 0.0436(8) Uani 1 1 d . U . . .
O4 O 0.77443(12) 0.1419(3) 0.57381(15) 0.0247(6) Uani 1 1 d . U . . .
O5 O 0.87349(11) 0.2290(3) 0.71942(16) 0.0309(6) Uani 1 1 d . U . . .
O6 O 0.69057(12) 0.2834(4) 0.63864(17) 0.0363(7) Uani 1 1 d . U . . .
O7 O 0.76242(12) 0.1673(4) 0.72481(17) 0.0359(7) Uani 1 1 d . U . . .
O8 O 0.67343(13) 0.0856(4) 0.69675(19) 0.0394(7) Uani 1 1 d . U . . .
O9 O 0.75308(16) 0.5945(4) 0.68263(19) 0.0511(9) Uani 1 1 d . U . . .
O10 O 0.81537(16) 0.4701(4) 0.77700(18) 0.0557(10) Uani 1 1 d . U . . .
O11 O 0.7867(2) 0.6904(5) 0.7995(2) 0.0942(18) Uani 1 1 d . U . . .
O12 O 0.85165(13) 0.3786(3) 0.5665(2) 0.0395(7) Uani 1 1 d . U . . .
O13 O 0.85936(14) 0.5579(4) 0.6472(2) 0.0479(8) Uani 1 1 d . U . . .
O14 O 0.91762(18) 0.5505(5) 0.5809(3) 0.0754(13) Uani 1 1 d . U . . .
O15 O 0.75527(13) -0.1332(3) 0.53788(19) 0.0336(6) Uani 1 1 d . U . . .
O16 O 0.84232(15) -0.0057(4) 0.5292(2) 0.0528(8) Uani 1 1 d . U . . .
O17 O 0.91962(15) 0.0223(4) 0.8188(2) 0.0552(9) Uani 1 1 d . U . . .
O18 O 0.94785(13) 0.0439(4) 0.7041(2) 0.0507(8) Uani 1 1 d . U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 2.302(2) . ?
Dy1 O1 2.311(2) . ?
Dy1 O5 2.327(3) . ?
Dy1 O9 2.438(3) . ?
Dy1 O10 2.440(3) . ?
Dy1 O13 2.440(3) . ?
Dy1 O6 2.460(3) . ?
Dy1 O12 2.464(3) . ?
Dy1 O7 2.491(3) . ?
P1 O1 1.475(3) . ?
P1 O3 1.556(3) . ?
P1 O2 1.557(3) . ?
P1 C1 1.794(4) . ?
P2 O4 1.471(3) . ?
P2 O15 1.545(3) . ?
P2 O16 1.553(3) . ?
P2 C20 1.795(4) . ?
P3 O5 1.477(3) . ?
P3 O18 1.542(3) . ?
P3 O17 1.549(4) . ?
P3 C20 1.790(4) . ?
C1 C2 1.522(5) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C15 1.400(5) . ?
C2 C3 1.407(5) . ?
C3 C4 1.433(5) . ?
C3 C8 1.439(5) . ?
C4 C5 1.356(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.409(6) . ?
C5 H5 0.9500 . ?
C6 C7 1.348(6) . ?
C6 H6 0.9500 . ?
C7 C8 1.428(5) . ?
C7 H7 0.9500 . ?
C8 C9 1.386(5) . ?
C9 C10 1.393(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.422(5) . ?
C10 C15 1.430(5) . ?
C11 C12 1.360(6) . ?
C11 H11 0.9500 . ?
C12 C13 1.413(6) . ?
C12 H12 0.9500 . ?
C13 C14 1.360(5) . ?
C13 H13 0.9500 . ?
C14 C15 1.438(5) . ?
C14 H14 0.9500 . ?
C16 O2 1.443(5) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C18 O3 1.420(6) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 O15 1.474(5) . ?
C21 C22 1.476(6) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 O16 1.391(6) . ?
C23 C24 1.414(9) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.396(10) . ?
C25 O17 1.465(7) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C28 1.418(9) . ?
C27 O18 1.488(6) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
N1 O8 1.211(5) . ?
N1 O6 1.263(4) . ?
N1 O7 1.265(4) . ?
N2 O11 1.218(5) . ?
N2 O9 1.247(5) . ?
N2 O10 1.263(5) . ?
N3 O14 1.227(5) . ?
N3 O12 1.240(5) . ?
N3 O13 1.274(5) . ?

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 82.60(9) . . ?
O4 Dy1 O5 79.30(9) . . ?
O1 Dy1 O5 151.37(10) . . ?
O4 Dy1 O9 151.91(10) . . ?
O1 Dy1 O9 76.25(10) . . ?
O5 Dy1 O9 126.98(10) . . ?
O4 Dy1 O10 145.13(11) . . ?
O1 Dy1 O10 128.11(10) . . ?
O5 Dy1 O10 77.02(10) . . ?
O9 Dy1 O10 51.86(11) . . ?
O4 Dy1 O13 124.99(11) . . ?
O1 Dy1 O13 89.13(10) . . ?
O5 Dy1 O13 83.37(11) . . ?
O9 Dy1 O13 73.44(13) . . ?
O10 Dy1 O13 77.10(13) . . ?
O4 Dy1 O6 77.87(10) . . ?
O1 Dy1 O6 75.19(9) . . ?
O5 Dy1 O6 121.64(10) . . ?
O9 Dy1 O6 78.99(12) . . ?
O10 Dy1 O6 93.26(12) . . ?
O13 Dy1 O6 150.87(11) . . ?
O4 Dy1 O12 73.69(10) . . ?
O1 Dy1 O12 77.69(10) . . ?
O5 Dy1 O12 76.04(11) . . ?
O9 Dy1 O12 118.49(13) . . ?
O10 Dy1 O12 123.72(12) . . ?
O13 Dy1 O12 51.47(11) . . ?
O6 Dy1 O12 142.73(10) . . ?
O4 Dy1 O7 73.84(10) . . ?
O1 Dy1 O7 124.33(9) . . ?
O5 Dy1 O7 71.12(10) . . ?
O9 Dy1 O7 103.19(12) . . ?
O10 Dy1 O7 74.47(12) . . ?
O13 Dy1 O7 145.23(11) . . ?
O6 Dy1 O7 51.10(9) . . ?
O12 Dy1 O7 137.18(10) . . ?
O1 P1 O3 111.49(18) . . ?
O1 P1 O2 112.49(16) . . ?
O3 P1 O2 108.59(19) . . ?
O1 P1 C1 115.79(17) . . ?
O3 P1 C1 105.27(16) . . ?
O2 P1 C1 102.52(17) . . ?
O4 P2 O15 113.99(17) . . ?
O4 P2 O16 109.95(19) . . ?
O15 P2 O16 105.47(18) . . ?
O4 P2 C20 110.70(18) . . ?
O15 P2 C20 107.66(19) . . ?
O16 P2 C20 108.8(2) . . ?
O5 P3 O18 114.6(2) . . ?
O5 P3 O17 113.53(19) . . ?
O18 P3 O17 104.3(2) . . ?
O5 P3 C20 113.30(18) . . ?
O18 P3 C20 102.9(2) . . ?
O17 P3 C20 107.2(2) . . ?
C2 C1 P1 117.6(3) . . ?
C2 C1 H1A 107.9 . . ?
P1 C1 H1A 107.9 . . ?
C2 C1 H1B 107.9 . . ?
P1 C1 H1B 107.9 . . ?
H1A C1 H1B 107.2 . . ?
C15 C2 C3 120.0(3) . . ?
C15 C2 C1 119.6(3) . . ?
C3 C2 C1 120.3(3) . . ?
C2 C3 C4 123.1(3) . . ?
C2 C3 C8 119.6(3) . . ?
C4 C3 C8 117.3(3) . . ?
C5 C4 C3 121.3(4) . . ?
C5 C4 H4 119.3 . . ?
C3 C4 H4 119.3 . . ?
C4 C5 C6 121.0(4) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.5 . . ?
C7 C6 C5 120.1(4) . . ?
C7 C6 H6 120.0 . . ?
C5 C6 H6 120.0 . . ?
C6 C7 C8 121.4(4) . . ?
C6 C7 H7 119.3 . . ?
C8 C7 H7 119.3 . . ?
C9 C8 C7 121.9(4) . . ?
C9 C8 C3 119.3(3) . . ?
C7 C8 C3 118.8(3) . . ?
C8 C9 C10 121.7(3) . . ?
C8 C9 H9 119.1 . . ?
C10 C9 H9 119.1 . . ?
C9 C10 C11 121.3(3) . . ?
C9 C10 C15 119.1(3) . . ?
C11 C10 C15 119.6(4) . . ?
C12 C11 C10 121.4(4) . . ?
C12 C11 H11 119.3 . . ?
C10 C11 H11 119.3 . . ?
C11 C12 C13 119.8(4) . . ?
C11 C12 H12 120.1 . . ?
C13 C12 H12 120.1 . . ?
C14 C13 C12 120.4(4) . . ?
C14 C13 H13 119.8 . . ?
C12 C13 H13 119.8 . . ?
C13 C14 C15 122.0(4) . . ?
C13 C14 H14 119.0 . . ?
C15 C14 H14 119.0 . . ?
C2 C15 C10 120.3(3) . . ?
C2 C15 C14 123.1(3) . . ?
C10 C15 C14 116.7(3) . . ?
O2 C16 H16A 109.5 . . ?
O2 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
O2 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O3 C18 H18A 109.5 . . ?
O3 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
O3 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
P3 C20 P2 114.0(2) . . ?
P3 C20 H20A 108.8 . . ?
P2 C20 H20A 108.8 . . ?
P3 C20 H20B 108.8 . . ?
P2 C20 H20B 108.8 . . ?
H20A C20 H20B 107.7 . . ?
O15 C21 C22 111.3(4) . . ?
O15 C21 H21A 109.4 . . ?
C22 C21 H21A 109.4 . . ?
O15 C21 H21B 109.4 . . ?
C22 C21 H21B 109.4 . . ?
H21A C21 H21B 108.0 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O16 C23 C24 113.2(6) . . ?
O16 C23 H23A 108.9 . . ?
C24 C23 H23A 108.9 . . ?
O16 C23 H23B 108.9 . . ?
C24 C23 H23B 108.9 . . ?
H23A C23 H23B 107.7 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 O17 110.4(6) . . ?
C26 C25 H25A 109.6 . . ?
O17 C25 H25A 109.6 . . ?
C26 C25 H25B 109.6 . . ?
O17 C25 H25B 109.6 . . ?
H25A C25 H25B 108.1 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 O18 111.0(5) . . ?
C28 C27 H27A 109.4 . . ?
O18 C27 H27A 109.4 . . ?
C28 C27 H27B 109.4 . . ?
O18 C27 H27B 109.4 . . ?
H27A C27 H27B 108.0 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
O8 N1 O6 122.8(3) . . ?
O8 N1 O7 121.9(3) . . ?
O6 N1 O7 115.3(3) . . ?
O11 N2 O9 121.7(4) . . ?
O11 N2 O10 121.9(4) . . ?
O9 N2 O10 116.4(4) . . ?
O14 N3 O12 122.6(5) . . ?
O14 N3 O13 121.6(4) . . ?
O12 N3 O13 115.8(4) . . ?
P1 O1 Dy1 151.09(17) . . ?
C16 O2 P1 124.6(3) . . ?
C18 O3 P1 124.4(3) . . ?
P2 O4 Dy1 141.04(16) . . ?
P3 O5 Dy1 139.78(16) . . ?
N1 O6 Dy1 97.1(2) . . ?
N1 O7 Dy1 95.6(2) . . ?
N2 O9 Dy1 96.0(3) . . ?
N2 O10 Dy1 95.5(2) . . ?
N3 O12 Dy1 96.2(3) . . ?
N3 O13 Dy1 96.4(2) . . ?
C21 O15 P2 120.8(3) . . ?
C23 O16 P2 125.9(4) . . ?
C25 O17 P3 123.6(3) . . ?
C27 O18 P3 121.4(3) . . ?

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 103.7(3) . . . . ?
O3 P1 C1 C2 -19.9(3) . . . . ?
O2 P1 C1 C2 -133.5(3) . . . . ?
P1 C1 C2 C15 94.6(4) . . . . ?
P1 C1 C2 C3 -88.8(4) . . . . ?
C15 C2 C3 C4 -178.3(3) . . . . ?
C1 C2 C3 C4 5.1(5) . . . . ?
C15 C2 C3 C8 0.9(5) . . . . ?
C1 C2 C3 C8 -175.7(3) . . . . ?
C2 C3 C4 C5 178.3(4) . . . . ?
C8 C3 C4 C5 -0.9(5) . . . . ?
C3 C4 C5 C6 1.7(6) . . . . ?
C4 C5 C6 C7 -1.1(6) . . . . ?
C5 C6 C7 C8 -0.4(6) . . . . ?
C6 C7 C8 C9 -179.4(4) . . . . ?
C6 C7 C8 C3 1.1(6) . . . . ?
C2 C3 C8 C9 0.8(5) . . . . ?
C4 C3 C8 C9 -180.0(3) . . . . ?
C2 C3 C8 C7 -179.8(3) . . . . ?
C4 C3 C8 C7 -0.5(5) . . . . ?
C7 C8 C9 C10 179.4(3) . . . . ?
C3 C8 C9 C10 -1.2(5) . . . . ?
C8 C9 C10 C11 178.9(4) . . . . ?
C8 C9 C10 C15 -0.1(5) . . . . ?
C9 C10 C11 C12 -179.3(4) . . . . ?
C15 C10 C11 C12 -0.3(6) . . . . ?
C10 C11 C12 C13 -1.5(6) . . . . ?
C11 C12 C13 C14 1.5(7) . . . . ?
C12 C13 C14 C15 0.4(6) . . . . ?
C3 C2 C15 C10 -2.1(5) . . . . ?
C1 C2 C15 C10 174.5(3) . . . . ?
C3 C2 C15 C14 178.6(3) . . . . ?
C1 C2 C15 C14 -4.8(5) . . . . ?
C9 C10 C15 C2 1.7(5) . . . . ?
C11 C10 C15 C2 -177.3(3) . . . . ?
C9 C10 C15 C14 -179.0(3) . . . . ?
C11 C10 C15 C14 2.0(5) . . . . ?
C13 C14 C15 C2 177.2(4) . . . . ?
C13 C14 C15 C10 -2.1(6) . . . . ?
O5 P3 C20 P2 43.9(3) . . . . ?
O18 P3 C20 P2 -80.5(3) . . . . ?
O17 P3 C20 P2 169.9(2) . . . . ?
O4 P2 C20 P3 -52.8(3) . . . . ?
O15 P2 C20 P3 -178.0(2) . . . . ?
O16 P2 C20 P3 68.1(3) . . . . ?
O3 P1 O1 Dy1 -177.5(3) . . . . ?
O2 P1 O1 Dy1 -55.3(4) . . . . ?
C1 P1 O1 Dy1 62.2(4) . . . . ?
O1 P1 O2 C16 -40.4(4) . . . . ?
O3 P1 O2 C16 83.5(4) . . . . ?
C1 P1 O2 C16 -165.4(4) . . . . ?
O1 P1 O3 C18 62.4(5) . . . . ?
O2 P1 O3 C18 -62.1(4) . . . . ?
C1 P1 O3 C18 -171.3(4) . . . . ?
O15 P2 O4 Dy1 147.7(2) . . . . ?
O16 P2 O4 Dy1 -94.1(3) . . . . ?
C20 P2 O4 Dy1 26.2(3) . . . . ?
O18 P3 O5 Dy1 113.9(3) . . . . ?
O17 P3 O5 Dy1 -126.4(3) . . . . ?
C20 P3 O5 Dy1 -3.8(4) . . . . ?
O8 N1 O6 Dy1 -169.5(3) . . . . ?
O7 N1 O6 Dy1 9.3(3) . . . . ?
O8 N1 O7 Dy1 169.6(3) . . . . ?
O6 N1 O7 Dy1 -9.2(3) . . . . ?
O11 N2 O9 Dy1 173.5(5) . . . . ?
O10 N2 O9 Dy1 -5.1(5) . . . . ?
O11 N2 O10 Dy1 -173.5(6) . . . . ?
O9 N2 O10 Dy1 5.1(5) . . . . ?
O14 N3 O12 Dy1 174.7(4) . . . . ?
O13 N3 O12 Dy1 -3.5(4) . . . . ?
O14 N3 O13 Dy1 -174.6(4) . . . . ?
O12 N3 O13 Dy1 3.5(4) . . . . ?
C22 C21 O15 P2 92.1(4) . . . . ?
O4 P2 O15 C21 -46.0(4) . . . . ?
O16 P2 O15 C21 -166.8(3) . . . . ?
C20 P2 O15 C21 77.2(3) . . . . ?
C24 C23 O16 P2 -169.6(5) . . . . ?
O4 P2 O16 C23 -164.8(5) . . . . ?
O15 P2 O16 C23 -41.5(6) . . . . ?
C20 P2 O16 C23 73.8(5) . . . . ?
C26 C25 O17 P3 -103.2(6) . . . . ?
O5 P3 O17 C25 33.8(5) . . . . ?
O18 P3 O17 C25 159.3(4) . . . . ?
C20 P3 O17 C25 -92.0(5) . . . . ?
C28 C27 O18 P3 -163.7(5) . . . . ?
O5 P3 O18 C27 42.0(5) . . . . ?
O17 P3 O18 C27 -82.8(4) . . . . ?
C20 P3 O18 C27 165.5(4) . . . . ?

_refine_diff_density_max         1.380
_refine_diff_density_min         -2.620
_refine_diff_density_rms         0.206


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: tetrahydrofuran'
_chemical_properties_physical    Photo-sensitive
_exptl_crystal_preparation       'Magnetic properties,Luminescent'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2
_database_code_depnum_ccdc_archive 'CCDC 1938541'
loop_
_audit_author_name
_audit_author_address
'Xinda Huang'
;Nanjing University
China
;
_audit_update_record             
;
2019-07-05 deposited with the CCDC.	2019-08-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        2
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C28 H43 Dy N3 O18 P3'
_chemical_formula_sum            'C28 H43 Dy N3 O18 P3'
_chemical_formula_weight         965.06

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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.
;

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'

_cell_length_a                   18.444(3)
_cell_length_b                   11.7938(17)
_cell_length_c                   37.298(6)
_cell_angle_alpha                90
_cell_angle_beta                 101.530(2)
_cell_angle_gamma                90
_cell_volume                     7949(2)
_cell_formula_units_Z            8
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9408
_cell_measurement_theta_min      2.232
_cell_measurement_theta_max      27.7285

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.613
_exptl_crystal_F_000             3896
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.600
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.300
_exptl_absorpt_coefficient_mu    2.075
_shelx_estimated_absorpt_T_min   0.369
_shelx_estimated_absorpt_T_max   0.575
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.278
_exptl_absorpt_correction_T_max  0.576
_exptl_absorpt_process_details   'SADABS 2014/5'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX duo'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            22131
_diffrn_reflns_av_unetI/netI     0.0619
_diffrn_reflns_av_R_equivalents  0.0575
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_theta_min         2.076
_diffrn_reflns_theta_max         25.556
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.947
_diffrn_measured_fraction_theta_full 0.968
_diffrn_reflns_Laue_measured_fraction_max 0.947
_diffrn_reflns_Laue_measured_fraction_full 0.968
_diffrn_reflns_point_group_measured_fraction_max 0.947
_diffrn_reflns_point_group_measured_fraction_full 0.968
_reflns_number_total             7060
_reflns_number_gt                5873
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0636P)²+67.3417P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7060
_refine_ls_number_parameters     484
_refine_ls_number_restraints     417
_refine_ls_R_factor_all          0.0623
_refine_ls_R_factor_gt           0.0535
_refine_ls_wR_factor_ref         0.1501
_refine_ls_wR_factor_gt          0.1428
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_restrained_S_all      1.134
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.69553(2) 0.50128(2) 0.65826(2) 0.02843(13) Uani 1 1 d . . . . .
P1 P 0.60598(9) 0.46100(13) 0.56262(4) 0.0269(3) Uani 1 1 d . U . . .
P2 P 0.62435(11) 0.75377(15) 0.69262(4) 0.0405(4) Uani 1 1 d . U . . .
P3 P 0.78524(10) 0.70742(15) 0.72125(4) 0.0388(4) Uani 1 1 d . U . . .
C1 C 0.6832(3) 0.3961(5) 0.54854(14) 0.0266(12) Uani 1 1 d . U . . .
H1A H 0.725295 0.449805 0.553693 0.032 Uiso 1 1 calc R U . . .
H1B H 0.697473 0.328333 0.563985 0.032 Uiso 1 1 calc R U . . .
C2 C 0.6729(3) 0.3602(5) 0.50889(14) 0.0253(11) Uani 1 1 d . U . . .
C3 C 0.6486(3) 0.2499(5) 0.49825(15) 0.0294(12) Uani 1 1 d . U . . .
C4 C 0.6289(4) 0.1675(5) 0.52314(17) 0.0348(13) Uani 1 1 d . U . . .
H4 H 0.631526 0.187707 0.548017 0.042 Uiso 1 1 calc R U . . .
C5 C 0.6068(4) 0.0624(6) 0.5119(2) 0.0446(15) Uani 1 1 d . U . . .
H5 H 0.593704 0.010210 0.528908 0.053 Uiso 1 1 calc R U . . .
C6 C 0.6027(4) 0.0284(6) 0.4753(2) 0.0484(16) Uani 1 1 d . U . . .
H6 H 0.587510 -0.046553 0.468067 0.058 Uiso 1 1 calc R U . . .
C7 C 0.6201(4) 0.1014(5) 0.45070(19) 0.0412(14) Uani 1 1 d . U . . .
H7 H 0.617493 0.077394 0.426154 0.049 Uiso 1 1 calc R U . . .
C8 C 0.6426(3) 0.2146(5) 0.46104(16) 0.0320(12) Uani 1 1 d . U . . .
C9 C 0.6615(4) 0.2899(5) 0.43577(16) 0.0353(13) Uani 1 1 d . U . . .
H9 H 0.658584 0.265877 0.411221 0.042 Uiso 1 1 calc R U . . .
C10 C 0.6846(3) 0.4003(5) 0.44573(15) 0.0327(12) Uani 1 1 d . U . . .
C11 C 0.7035(4) 0.4776(6) 0.4190(2) 0.0432(15) Uani 1 1 d . U . . .
H11 H 0.700740 0.452717 0.394538 0.052 Uiso 1 1 calc R U . . .
C12 C 0.7251(4) 0.5855(6) 0.4285(2) 0.0487(16) Uani 1 1 d . U . . .
H12 H 0.737360 0.635905 0.410729 0.058 Uiso 1 1 calc R U . . .
C13 C 0.7294(4) 0.6220(6) 0.46455(19) 0.0457(15) Uani 1 1 d . U . . .
H13 H 0.743798 0.697927 0.470803 0.055 Uiso 1 1 calc R U . . .
C14 C 0.7135(4) 0.5520(5) 0.49093(17) 0.0364(13) Uani 1 1 d . U . . .
H14 H 0.718220 0.579236 0.515266 0.044 Uiso 1 1 calc R U . . .
C15 C 0.6895(3) 0.4374(5) 0.48244(15) 0.0298(12) Uani 1 1 d . U . . .
C16 C 0.5352(4) 0.6515(6) 0.54164(19) 0.0462(16) Uani 1 1 d . U . . .
H16A H 0.486283 0.634450 0.526155 0.055 Uiso 1 1 calc R U . . .
H16B H 0.529733 0.653459 0.567504 0.055 Uiso 1 1 calc R U . . .
C17 C 0.5613(6) 0.7589(8) 0.5315(3) 0.084(3) Uani 1 1 d . U . . .
H17A H 0.605156 0.781420 0.549587 0.127 Uiso 1 1 calc R U . . .
H17B H 0.522413 0.816001 0.530722 0.127 Uiso 1 1 calc R U . . .
H17C H 0.574217 0.752772 0.507360 0.127 Uiso 1 1 calc R U . . .
C18 C 0.4843(5) 0.3608(8) 0.5746(3) 0.070(2) Uani 1 1 d . U . . .
H18A H 0.434325 0.363019 0.558789 0.084 Uiso 1 1 calc R U . . .
H18B H 0.487451 0.421273 0.593227 0.084 Uiso 1 1 calc R U . . .
C19 C 0.4974(8) 0.2499(10) 0.5924(3) 0.106(4) Uani 1 1 d . U . . .
H19A H 0.491635 0.190325 0.573732 0.159 Uiso 1 1 calc R U . . .
H19B H 0.461625 0.237869 0.608230 0.159 Uiso 1 1 calc R U . . .
H19C H 0.547713 0.247432 0.607144 0.159 Uiso 1 1 calc R U . . .
C20 C 0.6988(4) 0.7442(6) 0.73132(17) 0.0411(8) Uani 1 1 d . U . . .
H20A H 0.703851 0.818192 0.744106 0.049 Uiso 1 1 calc R U . . .
H20B H 0.685709 0.687102 0.748423 0.049 Uiso 1 1 calc R U . . .
C21 C 0.6567(5) 0.9027(7) 0.6443(2) 0.0558(12) Uani 1 1 d . U . . .
H21A H 0.665442 0.832108 0.631406 0.067 Uiso 1 1 calc R U . . .
H21B H 0.704997 0.940660 0.652642 0.067 Uiso 1 1 calc R U . . .
C22 C 0.6067(7) 0.9787(9) 0.6185(3) 0.079(2) Uani 1 1 d . U . . .
H22A H 0.563432 0.935683 0.606133 0.118 Uiso 1 1 calc R U . . .
H22B H 0.633285 1.008723 0.600304 0.118 Uiso 1 1 calc R U . . .
H22C H 0.590550 1.041602 0.632193 0.118 Uiso 1 1 calc R U . . .
C23 C 0.4828(5) 0.7233(8) 0.6924(2) 0.0734(14) Uani 1 1 d D U . . .
H23A H 0.453401 0.704230 0.711117 0.088 Uiso 1 1 calc R U . . .
H23B H 0.485528 0.654196 0.677690 0.088 Uiso 1 1 calc R U . . .
C24 C 0.4429(7) 0.8121(10) 0.6681(3) 0.108(3) Uani 1 1 d D U . . .
H24A H 0.436447 0.879208 0.682666 0.161 Uiso 1 1 calc R U . . .
H24B H 0.394274 0.783280 0.656062 0.161 Uiso 1 1 calc R U . . .
H24C H 0.471519 0.832466 0.649612 0.161 Uiso 1 1 calc R U . . .
C25 C 0.8787(5) 0.8212(6) 0.6907(2) 0.0594(12) Uani 1 1 d D U . . .
H25A H 0.883596 0.762971 0.672200 0.071 Uiso 1 1 calc R U . . .
H25B H 0.918638 0.810141 0.712429 0.071 Uiso 1 1 calc R U . . .
C26 C 0.8823(6) 0.9373(8) 0.6753(3) 0.082(2) Uani 1 1 d D U . . .
H26A H 0.832697 0.960734 0.662778 0.123 Uiso 1 1 calc R U . . .
H26B H 0.915609 0.936987 0.657903 0.123 Uiso 1 1 calc R U . . .
H26C H 0.900884 0.990518 0.695224 0.123 Uiso 1 1 calc R U . . .
C27 C 0.8715(5) 0.6023(6) 0.7772(2) 0.0549(13) Uani 1 1 d . U . . .
H27A H 0.873707 0.540367 0.759481 0.066 Uiso 1 1 calc R U . . .
H27B H 0.838129 0.578455 0.793514 0.066 Uiso 1 1 calc R U . . .
C28 C 0.9454(5) 0.6249(8) 0.7986(3) 0.078(2) Uani 1 1 d . U . . .
H28A H 0.979744 0.638069 0.782090 0.117 Uiso 1 1 calc R U . . .
H28B H 0.962276 0.559526 0.814312 0.117 Uiso 1 1 calc R U . . .
H28C H 0.943908 0.692198 0.813854 0.117 Uiso 1 1 calc R U . . .
N1 N 0.7911(4) 0.5931(5) 0.61373(17) 0.0494(14) Uani 1 1 d . U . . .
N2 N 0.7464(4) 0.2695(5) 0.66470(16) 0.0468(13) Uani 1 1 d . U . . .
N3 N 0.5975(3) 0.4364(5) 0.70548(14) 0.0401(12) Uani 1 1 d . U . . .
O1 O 0.6212(3) 0.4930(3) 0.60197(11) 0.0366(11) Uani 1 1 d . U . . .
O2 O 0.5881(3) 0.5648(4) 0.53675(12) 0.0420(11) Uani 1 1 d . U . . .
O3 O 0.5397(3) 0.3784(4) 0.55287(13) 0.0476(11) Uani 1 1 d . U . . .
O4 O 0.6270(3) 0.6627(4) 0.66516(11) 0.0397(8) Uani 1 1 d . U . . .
O5 O 0.7830(2) 0.5992(4) 0.70079(11) 0.0395(8) Uani 1 1 d . U . . .
O6 O 0.7965(3) 0.4910(4) 0.62553(15) 0.0468(12) Uani 1 1 d . U . . .
O7 O 0.7425(3) 0.6528(4) 0.62245(13) 0.0491(12) Uani 1 1 d . U . . .
O8 O 0.8313(4) 0.6288(5) 0.5936(2) 0.091(2) Uani 1 1 d . U . . .
O9 O 0.6996(3) 0.3002(4) 0.63732(13) 0.0474(12) Uani 1 1 d . U . . .
O10 O 0.7704(3) 0.3464(4) 0.68771(12) 0.0522(13) Uani 1 1 d . U . . .
O11 O 0.7673(4) 0.1716(5) 0.66918(18) 0.0756(18) Uani 1 1 d . U . . .
O12 O 0.6608(3) 0.4782(4) 0.71817(12) 0.0438(11) Uani 1 1 d . U . . .
O13 O 0.5849(3) 0.4146(4) 0.67143(12) 0.0460(12) Uani 1 1 d . U . . .
O14 O 0.5526(3) 0.4189(5) 0.72432(14) 0.0583(14) Uani 1 1 d . U . . .
O15 O 0.6247(3) 0.8750(4) 0.67561(13) 0.0486(8) Uani 1 1 d . U . . .
O16 O 0.5557(3) 0.7525(5) 0.71068(14) 0.0565(9) Uani 1 1 d . U . . .
O17 O 0.8049(3) 0.8137(4) 0.70085(13) 0.0488(8) Uani 1 1 d . U . . .
O18 O 0.8433(3) 0.7055(4) 0.75762(12) 0.0479(9) Uani 1 1 d . U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 O1 2.268(4) . ?
Dy1 O4 2.328(4) . ?
Dy1 O5 2.330(4) . ?
Dy1 O10 2.417(5) . ?
Dy1 O13 2.419(5) . ?
Dy1 O6 2.425(5) . ?
Dy1 O12 2.460(5) . ?
Dy1 O7 2.487(5) . ?
Dy1 O9 2.502(5) . ?
P1 O1 1.487(4) . ?
P1 O3 1.549(5) . ?
P1 O2 1.553(4) . ?
P1 C1 1.786(6) . ?
P2 O4 1.492(4) . ?
P2 O16 1.549(6) . ?
P2 O15 1.564(5) . ?
P2 C20 1.786(7) . ?
P3 O5 1.483(5) . ?
P3 O17 1.547(5) . ?
P3 O18 1.551(5) . ?
P3 C20 1.764(7) . ?
C1 C2 1.513(7) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C3 1.407(8) . ?
C2 C15 1.420(8) . ?
C3 C8 1.432(8) . ?
C3 C4 1.441(8) . ?
C4 C5 1.345(9) . ?
C4 H4 0.9500 . ?
C5 C6 1.408(11) . ?
C5 H5 0.9500 . ?
C6 C7 1.345(11) . ?
C6 H6 0.9500 . ?
C7 C8 1.428(9) . ?
C7 H7 0.9500 . ?
C8 C9 1.389(9) . ?
C9 C10 1.397(9) . ?
C9 H9 0.9500 . ?
C10 C15 1.423(8) . ?
C10 C11 1.444(9) . ?
C11 C12 1.360(10) . ?
C11 H11 0.9500 . ?
C12 C13 1.399(10) . ?
C12 H12 0.9500 . ?
C13 C14 1.360(9) . ?
C13 H13 0.9500 . ?
C14 C15 1.438(9) . ?
C14 H14 0.9500 . ?
C16 C17 1.432(12) . ?
C16 O2 1.450(8) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 O3 1.439(9) . ?
C18 C19 1.465(15) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 O15 1.448(9) . ?
C21 C22 1.490(12) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 O16 1.423(10) . ?
C23 C24 1.481(9) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 O17 1.485(10) . ?
C25 C26 1.491(8) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 O18 1.460(8) . ?
C27 C28 1.462(11) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
N1 O8 1.230(8) . ?
N1 O7 1.234(8) . ?
N1 O6 1.279(7) . ?
N2 O11 1.217(8) . ?
N2 O9 1.252(7) . ?
N2 O10 1.266(8) . ?
N3 O14 1.207(7) . ?
N3 O12 1.269(7) . ?
N3 O13 1.271(7) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Dy1 O4 84.06(14) . . ?
O1 Dy1 O5 149.26(16) . . ?
O4 Dy1 O5 80.59(16) . . ?
O1 Dy1 O10 124.94(16) . . ?
O4 Dy1 O10 147.27(15) . . ?
O5 Dy1 O10 79.07(16) . . ?
O1 Dy1 O13 77.96(16) . . ?
O4 Dy1 O13 79.89(16) . . ?
O5 Dy1 O13 124.64(15) . . ?
O10 Dy1 O13 90.96(19) . . ?
O1 Dy1 O6 85.12(19) . . ?
O4 Dy1 O6 125.80(16) . . ?
O5 Dy1 O6 82.58(17) . . ?
O10 Dy1 O6 76.39(18) . . ?
O13 Dy1 O6 147.67(16) . . ?
O1 Dy1 O12 128.10(18) . . ?
O4 Dy1 O12 75.18(16) . . ?
O5 Dy1 O12 72.95(16) . . ?
O10 Dy1 O12 74.48(17) . . ?
O13 Dy1 O12 52.07(15) . . ?
O6 Dy1 O12 144.82(19) . . ?
O1 Dy1 O7 75.21(17) . . ?
O4 Dy1 O7 74.15(17) . . ?
O5 Dy1 O7 75.04(16) . . ?
O10 Dy1 O7 123.94(19) . . ?
O13 Dy1 O7 144.18(18) . . ?
O6 Dy1 O7 51.75(16) . . ?
O12 Dy1 O7 138.51(16) . . ?
O1 Dy1 O9 73.78(15) . . ?
O4 Dy1 O9 149.36(16) . . ?
O5 Dy1 O9 128.49(16) . . ?
O10 Dy1 O9 51.37(16) . . ?
O13 Dy1 O9 75.05(17) . . ?
O6 Dy1 O9 73.84(16) . . ?
O12 Dy1 O9 102.02(16) . . ?
O7 Dy1 O9 118.53(16) . . ?
O1 P1 O3 112.1(3) . . ?
O1 P1 O2 112.8(3) . . ?
O3 P1 O2 106.9(3) . . ?
O1 P1 C1 113.3(3) . . ?
O3 P1 C1 107.5(3) . . ?
O2 P1 C1 103.7(3) . . ?
O4 P2 O16 115.7(3) . . ?
O4 P2 O15 112.1(3) . . ?
O16 P2 O15 104.8(3) . . ?
O4 P2 C20 112.6(3) . . ?
O16 P2 C20 102.2(3) . . ?
O15 P2 C20 108.7(3) . . ?
O5 P3 O17 115.4(3) . . ?
O5 P3 O18 112.4(3) . . ?
O17 P3 O18 104.7(3) . . ?
O5 P3 C20 112.8(3) . . ?
O17 P3 C20 102.5(3) . . ?
O18 P3 C20 108.2(3) . . ?
C2 C1 P1 117.1(4) . . ?
C2 C1 H1A 108.0 . . ?
P1 C1 H1A 108.0 . . ?
C2 C1 H1B 108.0 . . ?
P1 C1 H1B 108.0 . . ?
H1A C1 H1B 107.3 . . ?
C3 C2 C15 119.8(5) . . ?
C3 C2 C1 120.4(5) . . ?
C15 C2 C1 119.8(5) . . ?
C2 C3 C8 120.1(5) . . ?
C2 C3 C4 123.3(5) . . ?
C8 C3 C4 116.6(5) . . ?
C5 C4 C3 121.4(6) . . ?
C5 C4 H4 119.3 . . ?
C3 C4 H4 119.3 . . ?
C4 C5 C6 121.3(7) . . ?
C4 C5 H5 119.4 . . ?
C6 C5 H5 119.4 . . ?
C7 C6 C5 120.3(6) . . ?
C7 C6 H6 119.8 . . ?
C5 C6 H6 119.8 . . ?
C6 C7 C8 120.7(6) . . ?
C6 C7 H7 119.7 . . ?
C8 C7 H7 119.7 . . ?
C9 C8 C7 120.9(6) . . ?
C9 C8 C3 119.4(5) . . ?
C7 C8 C3 119.7(6) . . ?
C8 C9 C10 121.3(5) . . ?
C8 C9 H9 119.3 . . ?
C10 C9 H9 119.3 . . ?
C9 C10 C15 120.0(6) . . ?
C9 C10 C11 120.5(6) . . ?
C15 C10 C11 119.5(6) . . ?
C12 C11 C10 120.7(6) . . ?
C12 C11 H11 119.7 . . ?
C10 C11 H11 119.7 . . ?
C11 C12 C13 119.7(6) . . ?
C11 C12 H12 120.2 . . ?
C13 C12 H12 120.2 . . ?
C14 C13 C12 122.0(7) . . ?
C14 C13 H13 119.0 . . ?
C12 C13 H13 119.0 . . ?
C13 C14 C15 120.8(6) . . ?
C13 C14 H14 119.6 . . ?
C15 C14 H14 119.6 . . ?
C2 C15 C10 119.4(5) . . ?
C2 C15 C14 123.3(5) . . ?
C10 C15 C14 117.3(5) . . ?
C17 C16 O2 108.7(7) . . ?
C17 C16 H16A 110.0 . . ?
O2 C16 H16A 110.0 . . ?
C17 C16 H16B 110.0 . . ?
O2 C16 H16B 110.0 . . ?
H16A C16 H16B 108.3 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
O3 C18 C19 108.2(8) . . ?
O3 C18 H18A 110.0 . . ?
C19 C18 H18A 110.0 . . ?
O3 C18 H18B 110.0 . . ?
C19 C18 H18B 110.0 . . ?
H18A C18 H18B 108.4 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
P3 C20 P2 115.2(4) . . ?
P3 C20 H20A 108.5 . . ?
P2 C20 H20A 108.5 . . ?
P3 C20 H20B 108.5 . . ?
P2 C20 H20B 108.5 . . ?
H20A C20 H20B 107.5 . . ?
O15 C21 C22 110.9(7) . . ?
O15 C21 H21A 109.5 . . ?
C22 C21 H21A 109.5 . . ?
O15 C21 H21B 109.5 . . ?
C22 C21 H21B 109.5 . . ?
H21A C21 H21B 108.1 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O16 C23 C24 115.3(9) . . ?
O16 C23 H23A 108.4 . . ?
C24 C23 H23A 108.4 . . ?
O16 C23 H23B 108.4 . . ?
C24 C23 H23B 108.4 . . ?
H23A C23 H23B 107.5 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O17 C25 C26 105.5(7) . . ?
O17 C25 H25A 110.7 . . ?
C26 C25 H25A 110.7 . . ?
O17 C25 H25B 110.7 . . ?
C26 C25 H25B 110.7 . . ?
H25A C25 H25B 108.8 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
O18 C27 C28 108.8(7) . . ?
O18 C27 H27A 109.9 . . ?
C28 C27 H27A 109.9 . . ?
O18 C27 H27B 109.9 . . ?
C28 C27 H27B 109.9 . . ?
H27A C27 H27B 108.3 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
O8 N1 O7 121.6(7) . . ?
O8 N1 O6 121.2(7) . . ?
O7 N1 O6 117.2(6) . . ?
O11 N2 O9 122.3(7) . . ?
O11 N2 O10 121.9(6) . . ?
O9 N2 O10 115.8(5) . . ?
O14 N3 O12 122.5(5) . . ?
O14 N3 O13 122.5(6) . . ?
O12 N3 O13 115.0(5) . . ?
P1 O1 Dy1 152.2(3) . . ?
C16 O2 P1 122.8(4) . . ?
C18 O3 P1 125.1(5) . . ?
P2 O4 Dy1 139.3(3) . . ?
P3 O5 Dy1 136.2(3) . . ?
N1 O6 Dy1 96.4(4) . . ?
N1 O7 Dy1 94.7(4) . . ?
N2 O9 Dy1 94.5(4) . . ?
N2 O10 Dy1 98.2(4) . . ?
N3 O12 Dy1 95.2(3) . . ?
N3 O13 Dy1 97.1(4) . . ?
C21 O15 P2 124.7(5) . . ?
C23 O16 P2 124.8(5) . . ?
C25 O17 P3 119.4(4) . . ?
C27 O18 P3 124.3(4) . . ?

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 179.8(4) . . . . ?
O3 P1 C1 C2 55.4(5) . . . . ?
O2 P1 C1 C2 -57.5(5) . . . . ?
P1 C1 C2 C3 -91.6(6) . . . . ?
P1 C1 C2 C15 90.0(6) . . . . ?
C15 C2 C3 C8 1.6(8) . . . . ?
C1 C2 C3 C8 -176.8(5) . . . . ?
C15 C2 C3 C4 -178.4(6) . . . . ?
C1 C2 C3 C4 3.1(9) . . . . ?
C2 C3 C4 C5 -179.2(6) . . . . ?
C8 C3 C4 C5 0.8(9) . . . . ?
C3 C4 C5 C6 0.6(10) . . . . ?
C4 C5 C6 C7 -0.8(11) . . . . ?
C5 C6 C7 C8 -0.4(11) . . . . ?
C6 C7 C8 C9 179.3(7) . . . . ?
C6 C7 C8 C3 1.8(10) . . . . ?
C2 C3 C8 C9 0.5(9) . . . . ?
C4 C3 C8 C9 -179.4(6) . . . . ?
C2 C3 C8 C7 178.1(6) . . . . ?
C4 C3 C8 C7 -1.9(8) . . . . ?
C7 C8 C9 C10 -179.0(6) . . . . ?
C3 C8 C9 C10 -1.5(9) . . . . ?
C8 C9 C10 C15 0.3(9) . . . . ?
C8 C9 C10 C11 -179.6(6) . . . . ?
C9 C10 C11 C12 179.2(7) . . . . ?
C15 C10 C11 C12 -0.7(10) . . . . ?
C10 C11 C12 C13 0.2(11) . . . . ?
C11 C12 C13 C14 1.0(11) . . . . ?
C12 C13 C14 C15 -1.7(11) . . . . ?
C3 C2 C15 C10 -2.8(8) . . . . ?
C1 C2 C15 C10 175.6(5) . . . . ?
C3 C2 C15 C14 179.0(6) . . . . ?
C1 C2 C15 C14 -2.6(8) . . . . ?
C9 C10 C15 C2 1.8(9) . . . . ?
C11 C10 C15 C2 -178.2(6) . . . . ?
C9 C10 C15 C14 -179.8(6) . . . . ?
C11 C10 C15 C14 0.1(9) . . . . ?
C13 C14 C15 C2 179.3(6) . . . . ?
C13 C14 C15 C10 1.1(9) . . . . ?
O5 P3 C20 P2 -56.2(5) . . . . ?
O17 P3 C20 P2 68.6(4) . . . . ?
O18 P3 C20 P2 178.8(3) . . . . ?
O4 P2 C20 P3 39.9(5) . . . . ?
O16 P2 C20 P3 164.6(4) . . . . ?
O15 P2 C20 P3 -85.0(4) . . . . ?
O3 P1 O1 Dy1 119.8(6) . . . . ?
O2 P1 O1 Dy1 -119.5(6) . . . . ?
C1 P1 O1 Dy1 -2.0(7) . . . . ?
C17 C16 O2 P1 144.3(7) . . . . ?
O1 P1 O2 C16 -48.4(6) . . . . ?
O3 P1 O2 C16 75.3(6) . . . . ?
C1 P1 O2 C16 -171.3(5) . . . . ?
C19 C18 O3 P1 -106.7(8) . . . . ?
O1 P1 O3 C18 18.5(7) . . . . ?
O2 P1 O3 C18 -105.6(7) . . . . ?
C1 P1 O3 C18 143.6(7) . . . . ?
O16 P2 O4 Dy1 -112.1(4) . . . . ?
O15 P2 O4 Dy1 127.9(4) . . . . ?
C20 P2 O4 Dy1 4.9(6) . . . . ?
O17 P3 O5 Dy1 -85.9(4) . . . . ?
O18 P3 O5 Dy1 154.1(4) . . . . ?
C20 P3 O5 Dy1 31.5(5) . . . . ?
O8 N1 O6 Dy1 -177.4(7) . . . . ?
O7 N1 O6 Dy1 0.3(6) . . . . ?
O8 N1 O7 Dy1 177.4(7) . . . . ?
O6 N1 O7 Dy1 -0.3(6) . . . . ?
O11 N2 O9 Dy1 177.2(6) . . . . ?
O10 N2 O9 Dy1 -2.3(6) . . . . ?
O11 N2 O10 Dy1 -177.1(6) . . . . ?
O9 N2 O10 Dy1 2.3(6) . . . . ?
O14 N3 O12 Dy1 -172.5(6) . . . . ?
O13 N3 O12 Dy1 7.3(6) . . . . ?
O14 N3 O13 Dy1 172.3(6) . . . . ?
O12 N3 O13 Dy1 -7.5(6) . . . . ?
C22 C21 O15 P2 136.3(7) . . . . ?
O4 P2 O15 C21 -26.8(6) . . . . ?
O16 P2 O15 C21 -153.0(6) . . . . ?
C20 P2 O15 C21 98.3(6) . . . . ?
C24 C23 O16 P2 -76.9(11) . . . . ?
O4 P2 O16 C23 -36.7(7) . . . . ?
O15 P2 O16 C23 87.3(7) . . . . ?
C20 P2 O16 C23 -159.4(7) . . . . ?
C26 C25 O17 P3 -174.2(6) . . . . ?
O5 P3 O17 C25 -63.0(6) . . . . ?
O18 P3 O17 C25 61.1(6) . . . . ?
C20 P3 O17 C25 174.0(5) . . . . ?
C28 C27 O18 P3 153.6(6) . . . . ?
O5 P3 O18 C27 -22.7(7) . . . . ?
O17 P3 O18 C27 -148.7(6) . . . . ?
C20 P3 O18 C27 102.5(6) . . . . ?

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
_geom_hbond_publ_flag
C25 H25B O14 0.99 2.64 3.374(10) 130.6 4_656 yes
C21 H21A O7 0.99 2.61 3.517(9) 152.9 . yes
C20 H20A O10 0.99 2.51 3.196(7) 125.8 4_656 yes
C20 H20A O10 0.99 2.51 3.196(7) 125.8 4_656 yes
C21 H21A O7 0.99 2.61 3.517(9) 152.9 . yes

_refine_diff_density_max         2.000
_refine_diff_density_min         -1.753
_refine_diff_density_rms         0.158


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Tetrahydrofuran'
_chemical_properties_physical    Photo-sensitive
_exptl_crystal_preparation       'Magnetic properties,Luminescent'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_3
_database_code_depnum_ccdc_archive 'CCDC 1938542'
loop_
_audit_author_name
_audit_author_address
'Xinda Huang'
;Nanjing University
China
;
_audit_update_record             
;
2019-07-05 deposited with the CCDC.	2019-08-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        3
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H47 Dy N3 O18 P3'
_chemical_formula_sum            'C30 H47 Dy N3 O18 P3'
_chemical_formula_weight         993.11

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.8696(8)
_cell_length_b                   11.0111(8)
_cell_length_c                   17.9728(14)
_cell_angle_alpha                80.5150(10)
_cell_angle_beta                 86.5760(10)
_cell_angle_gamma                89.8190(10)
_cell_volume                     2117.9(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9562
_cell_measurement_theta_min      2.302
_cell_measurement_theta_max      27.4055

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.557
_exptl_crystal_F_000             1006
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.300
_exptl_absorpt_coefficient_mu    1.950
_shelx_estimated_absorpt_T_min   0.442
_shelx_estimated_absorpt_T_max   0.592
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.408
_exptl_absorpt_correction_T_max  0.592
_exptl_absorpt_process_details   'SADABS 2014/5'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX duo'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            19334
_diffrn_reflns_av_unetI/netI     0.0394
_diffrn_reflns_av_R_equivalents  0.0257
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.875
_diffrn_reflns_theta_max         27.499
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measured_fraction_theta_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_point_group_measured_fraction_full 0.983
_reflns_number_total             9519
_reflns_number_gt                8675
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0369P)²+0.8248P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9519
_refine_ls_number_parameters     506
_refine_ls_number_restraints     435
_refine_ls_R_factor_all          0.0327
_refine_ls_R_factor_gt           0.0288
_refine_ls_wR_factor_ref         0.0729
_refine_ls_wR_factor_gt          0.0706
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_restrained_S_all      1.133
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

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 0.68421(2) 0.66739(2) 0.79377(2) 0.02170(5) Uani 1 1 d . . . . .
P1 P 0.63241(7) 0.57447(10) 0.61257(4) 0.0405(2) Uani 1 1 d . U . . .
P2 P 0.40668(6) 0.81641(7) 0.85162(4) 0.02554(14) Uani 1 1 d . U . . .
P3 P 0.63826(6) 0.89713(6) 0.91396(4) 0.02418(14) Uani 1 1 d . U . . .
C1 C 0.7856(3) 0.5249(3) 0.59499(17) 0.0382(7) Uani 1 1 d . U . . .
H1A H 0.842873 0.588013 0.606615 0.046 Uiso 1 1 calc R U . . .
H1B H 0.799261 0.448186 0.630767 0.046 Uiso 1 1 calc R U . . .
C2 C 0.8203(3) 0.5009(3) 0.51548(17) 0.0353(6) Uani 1 1 d . U . . .
C3 C 0.8063(3) 0.3828(3) 0.49744(18) 0.0374(6) Uani 1 1 d . U . . .
C4 C 0.7545(3) 0.2816(4) 0.5485(2) 0.0475(8) Uani 1 1 d . U . . .
H4 H 0.723123 0.294156 0.597125 0.057 Uiso 1 1 calc R U . . .
C5 C 0.7485(4) 0.1661(4) 0.5297(3) 0.0586(9) Uani 1 1 d . U . . .
H5 H 0.713801 0.099816 0.565309 0.070 Uiso 1 1 calc R U . . .
C6 C 0.7940(4) 0.1454(4) 0.4574(3) 0.0617(9) Uani 1 1 d . U . . .
H6 H 0.790345 0.065100 0.444786 0.074 Uiso 1 1 calc R U . . .
C7 C 0.8424(3) 0.2394(4) 0.4063(2) 0.0548(8) Uani 1 1 d . U . . .
H7 H 0.872768 0.223981 0.358077 0.066 Uiso 1 1 calc R U . . .
C8 C 0.8491(3) 0.3610(4) 0.42297(19) 0.0413(7) Uani 1 1 d . U . . .
C9 C 0.8988(3) 0.4576(4) 0.37075(18) 0.0414(7) Uani 1 1 d . U . . .
H9 H 0.925351 0.442594 0.321764 0.050 Uiso 1 1 calc R U . . .
C10 C 0.9114(3) 0.5750(3) 0.38736(18) 0.0404(7) Uani 1 1 d . U . . .
C11 C 0.9664(3) 0.6731(4) 0.3338(2) 0.0506(8) Uani 1 1 d . U . . .
H11 H 0.991023 0.658752 0.284427 0.061 Uiso 1 1 calc R U . . .
C12 C 0.9838(4) 0.7847(4) 0.3519(2) 0.0572(9) Uani 1 1 d . U . . .
H12 H 1.021894 0.847806 0.315466 0.069 Uiso 1 1 calc R U . . .
C13 C 0.9462(3) 0.8098(4) 0.4247(2) 0.0544(9) Uani 1 1 d . U . . .
H13 H 0.958653 0.889467 0.436718 0.065 Uiso 1 1 calc R U . . .
C14 C 0.8923(3) 0.7200(3) 0.4771(2) 0.0445(7) Uani 1 1 d . U . . .
H14 H 0.867048 0.738536 0.525481 0.053 Uiso 1 1 calc R U . . .
C15 C 0.8723(3) 0.5982(3) 0.46194(17) 0.0366(6) Uani 1 1 d . U . . .
C16 C 0.5581(6) 0.7870(6) 0.5439(3) 0.0996(18) Uani 1 1 d . U . . .
H16A H 0.572967 0.810265 0.592977 0.149 Uiso 1 1 calc R U . . .
H16B H 0.470030 0.793714 0.535318 0.149 Uiso 1 1 calc R U . . .
H16C H 0.604961 0.842017 0.503809 0.149 Uiso 1 1 calc R U . . .
C17 C 0.4252(4) 0.4486(5) 0.6345(3) 0.0728(13) Uani 1 1 d . U . . .
H17A H 0.413353 0.419680 0.689056 0.109 Uiso 1 1 calc R U . . .
H17B H 0.385310 0.391032 0.607251 0.109 Uiso 1 1 calc R U . . .
H17C H 0.388711 0.530356 0.622019 0.109 Uiso 1 1 calc R U . . .
C18 C 0.4788(2) 0.8544(2) 0.93130(15) 0.0253(5) Uani 1 1 d . U . . .
H18A H 0.471681 0.782746 0.972587 0.030 Uiso 1 1 calc R U . . .
H18B H 0.433469 0.923403 0.949013 0.030 Uiso 1 1 calc R U . . .
C19 C 0.3129(4) 0.9503(4) 0.7340(2) 0.0565(9) Uani 1 1 d . U . . .
H19 H 0.328754 0.872725 0.712974 0.068 Uiso 1 1 calc R U . . .
C20 C 0.3742(7) 1.0553(6) 0.6833(3) 0.112(2) Uani 1 1 d . U . . .
H20A H 0.373032 1.127620 0.708649 0.168 Uiso 1 1 calc R U . . .
H20B H 0.330482 1.073968 0.636679 0.168 Uiso 1 1 calc R U . . .
H20C H 0.459767 1.033809 0.671023 0.168 Uiso 1 1 calc R U . . .
C21 C 0.1765(5) 0.9656(5) 0.7485(3) 0.0826(14) Uani 1 1 d . U . . .
H21A H 0.144127 0.896110 0.785642 0.124 Uiso 1 1 calc R U . . .
H21B H 0.135391 0.968006 0.701174 0.124 Uiso 1 1 calc R U . . .
H21C H 0.161035 1.042560 0.768012 0.124 Uiso 1 1 calc R U . . .
C22 C 0.2637(3) 0.6182(3) 0.8991(2) 0.0413(7) Uani 1 1 d . U . . .
H22 H 0.340202 0.579511 0.920296 0.050 Uiso 1 1 calc R U . . .
C23 C 0.2399(4) 0.5728(5) 0.8274(3) 0.0744(14) Uani 1 1 d . U . . .
H23A H 0.164445 0.610372 0.807062 0.112 Uiso 1 1 calc R U . . .
H23B H 0.230099 0.483067 0.837502 0.112 Uiso 1 1 calc R U . . .
H23C H 0.309506 0.595277 0.790489 0.112 Uiso 1 1 calc R U . . .
C24 C 0.1587(3) 0.5967(4) 0.9581(2) 0.0539(9) Uani 1 1 d . U . . .
H24A H 0.181542 0.627277 1.003686 0.081 Uiso 1 1 calc R U . . .
H24B H 0.140513 0.508329 0.970565 0.081 Uiso 1 1 calc R U . . .
H24C H 0.085688 0.640459 0.938660 0.081 Uiso 1 1 calc R U . . .
C25 C 0.7384(3) 1.1035(3) 0.8354(2) 0.0487(8) Uani 1 1 d . U . . .
H25 H 0.801957 1.046836 0.817948 0.058 Uiso 1 1 calc R U . . .
C26 C 0.6908(5) 1.1877(4) 0.7693(2) 0.0687(12) Uani 1 1 d . U . . .
H26A H 0.656890 1.138598 0.734482 0.103 Uiso 1 1 calc R U . . .
H26B H 0.758321 1.239590 0.743103 0.103 Uiso 1 1 calc R U . . .
H26C H 0.626016 1.239832 0.787211 0.103 Uiso 1 1 calc R U . . .
C27 C 0.7902(5) 1.1745(5) 0.8922(3) 0.0865(16) Uani 1 1 d . U . . .
H27A H 0.725328 1.225553 0.911105 0.130 Uiso 1 1 calc R U . . .
H27B H 0.858402 1.227233 0.867729 0.130 Uiso 1 1 calc R U . . .
H27C H 0.820223 1.116461 0.934490 0.130 Uiso 1 1 calc R U . . .
C28 C 0.7472(4) 0.7954(3) 1.0376(2) 0.0456(8) Uani 1 1 d . U . . .
H28 H 0.714918 0.718497 1.022652 0.055 Uiso 1 1 calc R U . . .
C29 C 0.8838(4) 0.8030(6) 1.0206(3) 0.0911(16) Uani 1 1 d . U . . .
H29A H 0.913876 0.884222 1.027135 0.137 Uiso 1 1 calc R U . . .
H29B H 0.902947 0.790820 0.968370 0.137 Uiso 1 1 calc R U . . .
H29C H 0.924111 0.739069 1.055183 0.137 Uiso 1 1 calc R U . . .
C30 C 0.7058(6) 0.7993(5) 1.1179(2) 0.0860(16) Uani 1 1 d . U . . .
H30A H 0.730880 0.877880 1.131404 0.129 Uiso 1 1 calc R U . . .
H30B H 0.743575 0.731414 1.150946 0.129 Uiso 1 1 calc R U . . .
H30C H 0.615881 0.791111 1.124099 0.129 Uiso 1 1 calc R U . . .
N1 N 0.8101(3) 0.8515(3) 0.68304(19) 0.0537(8) Uani 1 1 d . U . . .
N2 N 0.8910(2) 0.5088(2) 0.82655(14) 0.0300(5) Uani 1 1 d . U . . .
N3 N 0.5694(3) 0.4659(3) 0.8953(2) 0.0538(8) Uani 1 1 d . U . . .
O1 O 0.61560(19) 0.6245(2) 0.68327(11) 0.0369(5) Uani 1 1 d . U . . .
O2 O 0.5961(3) 0.6652(4) 0.54350(15) 0.0830(10) Uani 1 1 d . U . . .
O3 O 0.5506(2) 0.4553(3) 0.6137(2) 0.0741(8) Uani 1 1 d . U . . .
O4 O 0.48658(17) 0.74003(18) 0.80816(11) 0.0281(4) Uani 1 1 d . U . . .
O5 O 0.70938(18) 0.81295(18) 0.87153(11) 0.0303(4) Uani 1 1 d . U . . .
O6 O 0.8569(2) 0.7512(2) 0.70858(15) 0.0534(7) Uani 1 1 d . U . . .
O7 O 0.7004(2) 0.8703(2) 0.70739(13) 0.0470(6) Uani 1 1 d . U . . .
O8 O 0.8648(4) 0.9279(3) 0.6364(2) 0.1105(15) Uani 1 1 d . U . . .
O9 O 0.81399(19) 0.49138(19) 0.77882(12) 0.0357(5) Uani 1 1 d . U . . .
O10 O 0.8757(2) 0.6047(2) 0.85600(13) 0.0414(5) Uani 1 1 d . U . . .
O11 O 0.9741(2) 0.4365(2) 0.84280(14) 0.0442(6) Uani 1 1 d . U . . .
O12 O 0.5546(2) 0.4795(2) 0.82539(16) 0.0512(6) Uani 1 1 d . U . . .
O13 O 0.6301(3) 0.5492(3) 0.91740(14) 0.0584(7) Uani 1 1 d . U . . .
O14 O 0.5265(3) 0.3777(3) 0.9389(2) 0.1001(14) Uani 1 1 d . U . . .
O15 O 0.3726(2) 0.9434(2) 0.80662(12) 0.0384(5) Uani 1 1 d . U . . .
O16 O 0.28079(18) 0.7536(2) 0.88061(13) 0.0355(5) Uani 1 1 d . U . . .
O17 O 0.63120(18) 1.03287(18) 0.87416(12) 0.0317(4) Uani 1 1 d . U . . .
O18 O 0.69075(19) 0.90379(18) 0.99204(11) 0.0309(4) Uani 1 1 d . U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 O1 2.283(2) . ?
Dy1 O4 2.3048(18) . ?
Dy1 O5 2.3203(19) . ?
Dy1 O13 2.423(2) . ?
Dy1 O6 2.433(2) . ?
Dy1 O9 2.435(2) . ?
Dy1 O10 2.465(2) . ?
Dy1 O12 2.474(2) . ?
Dy1 O7 2.502(2) . ?
P1 O1 1.468(2) . ?
P1 O2 1.530(3) . ?
P1 O3 1.584(3) . ?
P1 C1 1.778(3) . ?
P2 O4 1.4842(19) . ?
P2 O15 1.551(2) . ?
P2 O16 1.557(2) . ?
P2 C18 1.782(3) . ?
P3 O5 1.4819(19) . ?
P3 O17 1.551(2) . ?
P3 O18 1.559(2) . ?
P3 C18 1.793(3) . ?
C1 C2 1.521(4) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C3 1.402(5) . ?
C2 C15 1.411(5) . ?
C3 C4 1.416(5) . ?
C3 C8 1.448(4) . ?
C4 C5 1.372(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.416(6) . ?
C5 H5 0.9500 . ?
C6 C7 1.351(6) . ?
C6 H6 0.9500 . ?
C7 C8 1.422(5) . ?
C7 H7 0.9500 . ?
C8 C9 1.385(5) . ?
C9 C10 1.384(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.429(5) . ?
C10 C15 1.444(4) . ?
C11 C12 1.338(6) . ?
C11 H11 0.9500 . ?
C12 C13 1.418(6) . ?
C12 H12 0.9500 . ?
C13 C14 1.356(5) . ?
C13 H13 0.9500 . ?
C14 C15 1.432(5) . ?
C14 H14 0.9500 . ?
C16 O2 1.403(7) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 O3 1.391(5) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.482(7) . ?
C19 O15 1.483(4) . ?
C19 C21 1.503(7) . ?
C19 H19 1.0000 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 O16 1.483(4) . ?
C22 C23 1.495(5) . ?
C22 C24 1.502(5) . ?
C22 H22 1.0000 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 O17 1.476(4) . ?
C25 C26 1.498(6) . ?
C25 C27 1.518(6) . ?
C25 H25 1.0000 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 O18 1.484(4) . ?
C28 C30 1.494(5) . ?
C28 C29 1.499(6) . ?
C28 H28 1.0000 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
N1 O8 1.214(4) . ?
N1 O6 1.244(4) . ?
N1 O7 1.274(4) . ?
N2 O11 1.218(3) . ?
N2 O10 1.263(3) . ?
N2 O9 1.271(3) . ?
N3 O14 1.218(4) . ?
N3 O12 1.260(4) . ?
N3 O13 1.261(5) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Dy1 O4 82.65(7) . . ?
O1 Dy1 O5 147.52(8) . . ?
O4 Dy1 O5 77.88(7) . . ?
O1 Dy1 O13 124.49(10) . . ?
O4 Dy1 O13 82.31(8) . . ?
O5 Dy1 O13 78.41(9) . . ?
O1 Dy1 O6 81.06(9) . . ?
O4 Dy1 O6 130.33(8) . . ?
O5 Dy1 O6 92.01(9) . . ?
O13 Dy1 O6 143.61(9) . . ?
O1 Dy1 O9 80.69(7) . . ?
O4 Dy1 O9 146.79(7) . . ?
O5 Dy1 O9 128.21(7) . . ?
O13 Dy1 O9 83.79(9) . . ?
O6 Dy1 O9 74.80(8) . . ?
O1 Dy1 O10 129.86(7) . . ?
O4 Dy1 O10 146.15(7) . . ?
O5 Dy1 O10 76.20(7) . . ?
O13 Dy1 O10 71.48(9) . . ?
O6 Dy1 O10 72.14(9) . . ?
O9 Dy1 O10 52.02(7) . . ?
O1 Dy1 O12 72.70(9) . . ?
O4 Dy1 O12 75.57(8) . . ?
O5 Dy1 O12 125.70(8) . . ?
O13 Dy1 O12 51.82(10) . . ?
O6 Dy1 O12 140.39(9) . . ?
O9 Dy1 O12 72.13(8) . . ?
O10 Dy1 O12 102.77(9) . . ?
O1 Dy1 O7 76.54(9) . . ?
O4 Dy1 O7 79.16(8) . . ?
O5 Dy1 O7 74.46(8) . . ?
O13 Dy1 O7 149.74(10) . . ?
O6 Dy1 O7 51.47(8) . . ?
O9 Dy1 O7 123.84(8) . . ?
O10 Dy1 O7 113.83(9) . . ?
O12 Dy1 O7 142.15(9) . . ?
O1 P1 O2 112.96(16) . . ?
O1 P1 O3 112.16(16) . . ?
O2 P1 O3 105.5(2) . . ?
O1 P1 C1 112.93(13) . . ?
O2 P1 C1 108.46(16) . . ?
O3 P1 C1 104.19(16) . . ?
O4 P2 O15 114.46(12) . . ?
O4 P2 O16 113.06(12) . . ?
O15 P2 O16 104.88(13) . . ?
O4 P2 C18 112.34(12) . . ?
O15 P2 C18 103.71(12) . . ?
O16 P2 C18 107.62(13) . . ?
O5 P3 O17 115.89(12) . . ?
O5 P3 O18 112.48(11) . . ?
O17 P3 O18 105.09(11) . . ?
O5 P3 C18 112.87(12) . . ?
O17 P3 C18 102.38(12) . . ?
O18 P3 C18 107.21(12) . . ?
C2 C1 P1 116.7(2) . . ?
C2 C1 H1A 108.1 . . ?
P1 C1 H1A 108.1 . . ?
C2 C1 H1B 108.1 . . ?
P1 C1 H1B 108.1 . . ?
H1A C1 H1B 107.3 . . ?
C3 C2 C15 121.1(3) . . ?
C3 C2 C1 120.2(3) . . ?
C15 C2 C1 118.5(3) . . ?
C2 C3 C4 123.8(3) . . ?
C2 C3 C8 118.8(3) . . ?
C4 C3 C8 117.4(3) . . ?
C5 C4 C3 121.8(4) . . ?
C5 C4 H4 119.1 . . ?
C3 C4 H4 119.1 . . ?
C4 C5 C6 120.1(4) . . ?
C4 C5 H5 120.0 . . ?
C6 C5 H5 120.0 . . ?
C7 C6 C5 120.3(4) . . ?
C7 C6 H6 119.9 . . ?
C5 C6 H6 119.9 . . ?
C6 C7 C8 121.5(4) . . ?
C6 C7 H7 119.2 . . ?
C8 C7 H7 119.2 . . ?
C9 C8 C7 121.7(3) . . ?
C9 C8 C3 119.5(3) . . ?
C7 C8 C3 118.8(4) . . ?
C10 C9 C8 122.4(3) . . ?
C10 C9 H9 118.8 . . ?
C8 C9 H9 118.8 . . ?
C9 C10 C11 121.9(3) . . ?
C9 C10 C15 119.1(3) . . ?
C11 C10 C15 119.0(3) . . ?
C12 C11 C10 121.3(4) . . ?
C12 C11 H11 119.3 . . ?
C10 C11 H11 119.3 . . ?
C11 C12 C13 120.8(4) . . ?
C11 C12 H12 119.6 . . ?
C13 C12 H12 119.6 . . ?
C14 C13 C12 120.0(4) . . ?
C14 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
C13 C14 C15 122.1(3) . . ?
C13 C14 H14 118.9 . . ?
C15 C14 H14 118.9 . . ?
C2 C15 C14 124.1(3) . . ?
C2 C15 C10 119.1(3) . . ?
C14 C15 C10 116.8(3) . . ?
O2 C16 H16A 109.5 . . ?
O2 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
O2 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O3 C17 H17A 109.5 . . ?
O3 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
O3 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
P2 C18 P3 114.73(14) . . ?
P2 C18 H18A 108.6 . . ?
P3 C18 H18A 108.6 . . ?
P2 C18 H18B 108.6 . . ?
P3 C18 H18B 108.6 . . ?
H18A C18 H18B 107.6 . . ?
C20 C19 O15 104.9(3) . . ?
C20 C19 C21 114.4(4) . . ?
O15 C19 C21 108.5(3) . . ?
C20 C19 H19 109.6 . . ?
O15 C19 H19 109.6 . . ?
C21 C19 H19 109.6 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
O16 C22 C23 107.4(3) . . ?
O16 C22 C24 106.1(3) . . ?
C23 C22 C24 114.1(3) . . ?
O16 C22 H22 109.7 . . ?
C23 C22 H22 109.7 . . ?
C24 C22 H22 109.7 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O17 C25 C26 106.5(3) . . ?
O17 C25 C27 106.7(3) . . ?
C26 C25 C27 111.9(4) . . ?
O17 C25 H25 110.5 . . ?
C26 C25 H25 110.5 . . ?
C27 C25 H25 110.5 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
O18 C28 C30 106.0(3) . . ?
O18 C28 C29 108.0(3) . . ?
C30 C28 C29 115.1(4) . . ?
O18 C28 H28 109.2 . . ?
C30 C28 H28 109.2 . . ?
C29 C28 H28 109.2 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
O8 N1 O6 122.2(3) . . ?
O8 N1 O7 121.0(3) . . ?
O6 N1 O7 116.8(3) . . ?
O11 N2 O10 122.5(3) . . ?
O11 N2 O9 121.5(3) . . ?
O10 N2 O9 116.0(2) . . ?
O14 N3 O12 121.8(4) . . ?
O14 N3 O13 122.1(4) . . ?
O12 N3 O13 116.2(3) . . ?
P1 O1 Dy1 152.16(13) . . ?
C16 O2 P1 125.5(3) . . ?
C17 O3 P1 123.6(3) . . ?
P2 O4 Dy1 143.72(12) . . ?
P3 O5 Dy1 141.73(12) . . ?
N1 O6 Dy1 97.95(19) . . ?
N1 O7 Dy1 93.82(18) . . ?
N2 O9 Dy1 96.52(15) . . ?
N2 O10 Dy1 95.31(16) . . ?
N3 O12 Dy1 94.7(2) . . ?
N3 O13 Dy1 97.1(2) . . ?
C19 O15 P2 119.9(2) . . ?
C22 O16 P2 123.26(18) . . ?
C25 O17 P3 123.6(2) . . ?
C28 O18 P3 121.88(18) . . ?

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 -165.7(3) . . . . ?
O2 P1 C1 C2 -39.7(3) . . . . ?
O3 P1 C1 C2 72.4(3) . . . . ?
P1 C1 C2 C3 -91.7(3) . . . . ?
P1 C1 C2 C15 91.5(3) . . . . ?
C15 C2 C3 C4 -179.8(3) . . . . ?
C1 C2 C3 C4 3.4(4) . . . . ?
C15 C2 C3 C8 1.5(4) . . . . ?
C1 C2 C3 C8 -175.3(3) . . . . ?
C2 C3 C4 C5 -176.5(3) . . . . ?
C8 C3 C4 C5 2.2(5) . . . . ?
C3 C4 C5 C6 -0.5(6) . . . . ?
C4 C5 C6 C7 -0.6(6) . . . . ?
C5 C6 C7 C8 -0.2(6) . . . . ?
C6 C7 C8 C9 179.9(3) . . . . ?
C6 C7 C8 C3 2.0(5) . . . . ?
C2 C3 C8 C9 -2.1(4) . . . . ?
C4 C3 C8 C9 179.1(3) . . . . ?
C2 C3 C8 C7 175.9(3) . . . . ?
C4 C3 C8 C7 -2.9(4) . . . . ?
C7 C8 C9 C10 -176.8(3) . . . . ?
C3 C8 C9 C10 1.0(5) . . . . ?
C8 C9 C10 C11 178.0(3) . . . . ?
C8 C9 C10 C15 0.6(4) . . . . ?
C9 C10 C11 C12 -176.5(3) . . . . ?
C15 C10 C11 C12 1.0(5) . . . . ?
C10 C11 C12 C13 -1.1(5) . . . . ?
C11 C12 C13 C14 0.3(5) . . . . ?
C12 C13 C14 C15 0.5(5) . . . . ?
C3 C2 C15 C14 -178.3(3) . . . . ?
C1 C2 C15 C14 -1.5(4) . . . . ?
C3 C2 C15 C10 0.1(4) . . . . ?
C1 C2 C15 C10 176.9(2) . . . . ?
C13 C14 C15 C2 177.9(3) . . . . ?
C13 C14 C15 C10 -0.6(4) . . . . ?
C9 C10 C15 C2 -1.2(4) . . . . ?
C11 C10 C15 C2 -178.7(3) . . . . ?
C9 C10 C15 C14 177.4(3) . . . . ?
C11 C10 C15 C14 -0.2(4) . . . . ?
O4 P2 C18 P3 42.10(19) . . . . ?
O15 P2 C18 P3 -82.03(17) . . . . ?
O16 P2 C18 P3 167.19(14) . . . . ?
O5 P3 C18 P2 -45.63(19) . . . . ?
O17 P3 C18 P2 79.66(17) . . . . ?
O18 P3 C18 P2 -170.04(14) . . . . ?
O2 P1 O1 Dy1 -129.4(3) . . . . ?
O3 P1 O1 Dy1 111.5(3) . . . . ?
C1 P1 O1 Dy1 -5.9(4) . . . . ?
O1 P1 O2 C16 4.1(5) . . . . ?
O3 P1 O2 C16 127.0(5) . . . . ?
C1 P1 O2 C16 -121.9(5) . . . . ?
O1 P1 O3 C17 49.6(4) . . . . ?
O2 P1 O3 C17 -73.7(4) . . . . ?
C1 P1 O3 C17 172.1(4) . . . . ?
O15 P2 O4 Dy1 106.6(2) . . . . ?
O16 P2 O4 Dy1 -133.4(2) . . . . ?
C18 P2 O4 Dy1 -11.3(3) . . . . ?
O17 P3 O5 Dy1 -98.0(2) . . . . ?
O18 P3 O5 Dy1 141.07(18) . . . . ?
C18 P3 O5 Dy1 19.6(2) . . . . ?
O8 N1 O6 Dy1 180.0(4) . . . . ?
O7 N1 O6 Dy1 -1.0(4) . . . . ?
O8 N1 O7 Dy1 -180.0(4) . . . . ?
O6 N1 O7 Dy1 1.0(4) . . . . ?
O11 N2 O9 Dy1 175.7(2) . . . . ?
O10 N2 O9 Dy1 -3.9(3) . . . . ?
O11 N2 O10 Dy1 -175.8(2) . . . . ?
O9 N2 O10 Dy1 3.9(2) . . . . ?
O14 N3 O12 Dy1 -176.3(3) . . . . ?
O13 N3 O12 Dy1 4.2(3) . . . . ?
O14 N3 O13 Dy1 176.2(3) . . . . ?
O12 N3 O13 Dy1 -4.3(3) . . . . ?
C20 C19 O15 P2 -138.3(4) . . . . ?
C21 C19 O15 P2 99.0(3) . . . . ?
O4 P2 O15 C19 55.6(3) . . . . ?
O16 P2 O15 C19 -68.9(3) . . . . ?
C18 P2 O15 C19 178.3(3) . . . . ?
C23 C22 O16 P2 -85.3(3) . . . . ?
C24 C22 O16 P2 152.2(2) . . . . ?
O4 P2 O16 C22 29.6(3) . . . . ?
O15 P2 O16 C22 154.9(2) . . . . ?
C18 P2 O16 C22 -95.1(3) . . . . ?
C26 C25 O17 P3 145.7(3) . . . . ?
C27 C25 O17 P3 -94.7(3) . . . . ?
O5 P3 O17 C25 -44.9(3) . . . . ?
O18 P3 O17 C25 80.0(3) . . . . ?
C18 P3 O17 C25 -168.2(3) . . . . ?
C30 C28 O18 P3 -140.8(3) . . . . ?
C29 C28 O18 P3 95.3(4) . . . . ?
O5 P3 O18 C28 -34.0(3) . . . . ?
O17 P3 O18 C28 -161.0(2) . . . . ?
C18 P3 O18 C28 90.6(3) . . . . ?

_refine_diff_density_max         1.597
_refine_diff_density_min         -0.740
_refine_diff_density_rms         0.086


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Tetrahydrofuran'
_chemical_properties_physical    Photo-sensitive
_exptl_crystal_preparation       'Magnetic properties,Luminescent'
