# Supplementary Information (SI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2024

####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 2287738'
loop_
_audit_author_name
_audit_author_address
'Szymon Chorazy'
;Faculty of Chemistry, Jagiellonian University
Poland
;
_audit_update_record             
;
2024-05-01 deposited with the CCDC.	2024-09-25 downloaded from the CCDC.
;

_audit_creation_date             2024-03-16T18:05:53-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.5
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_formula_moiety         'C282 H321 Dy8 N64 O50 Pt16'
_chemical_formula_sum            'C282 H321 Dy8 N64 O50 Pt16'
_chemical_formula_weight         9828.45

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   26.9547(13)
_cell_length_b                   15.9063(7)
_cell_length_c                   19.2062(10)
_cell_angle_alpha                90
_cell_angle_beta                 90.203(2)
_cell_angle_gamma                90
_cell_volume                     8234.6(7)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    79263
_cell_measurement_theta_min      1.981
_cell_measurement_theta_max      26.402
_cell_measurement_wavelength     0.71073

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       block
_exptl_crystal_colour            green
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.06
_exptl_crystal_density_diffrn    1.982
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4637

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    8.626
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6141
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_probe          x-ray
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'D8Venture Photon III CPAD'
_diffrn_measurement_method       ω
_diffrn_standards_number         0
_diffrn_standards_interval_time  0
_diffrn_standards_interval_count 0
_diffrn_standards_decay_%        0
_diffrn_reflns_av_R_equivalents  0.0532
_diffrn_reflns_av_unetI/netI     0.042
_diffrn_reflns_number            79263
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.981
_diffrn_reflns_theta_max         26.402
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_reflns_Friedel_coverage         0
_reflns_number_total             16758
_reflns_number_gt                14843
_reflns_threshold_expression     'I > 2σ(I)'

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       'APEX4 (Bruker, 2021)'
_computing_cell_refinement       'SAINT (Bruker, 2021)'
_computing_data_reduction        'SAINT (Bruker, 2021)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION                                       #
#----------------------------------------------------------------------------#

_atom_sites_solution_hydrogens   mixed

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_shelx_SHELXL_version_number     2018/3
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0141P)²+72.9324P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_number_reflns         16758
_refine_ls_number_parameters     980
_refine_ls_number_restraints     0
_refine_ls_number_constraints    0
_refine_ls_R_factor_all          0.0437
_refine_ls_R_factor_gt           0.0365
_refine_ls_wR_factor_ref         0.0773
_refine_ls_wR_factor_gt          0.0745
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_restrained_S_all      1.085
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_diff_density_max         3.724
_refine_diff_density_min         -1.932
_refine_diff_density_rms         0.171

# start Validation Reply Form 
_vrf_PLAT971_shelx               
;
RESPONSE: Large calculated positive residual densities are due to the presence 
of heavy atoms in the crystal structure (Dy, Pt). All of them are close to 
the positions occupied by Dy and Pt atoms, but cannot be fully described by
their ellipsoids. Although large positive residual densities can 
be described by the insertion of additional Dy and Pt atoms with small 
occupancies (<0.01), but this yields a chemically unreliable 
structural model and a rather unstable refinement procedure.
;
_vrf_PLAT601_shelx               
;
RESPONSE: Solvent Accessible Voids in the unit cell originate from the 
structural disorder found for the crystallization solvent in the crystal 
structure of this compound. This alert is partially due to the presence 
of a variety of different solvents, including methanol, acetonitrile, and 
diethyl ether, necessary to obtain single crystals suitable for XRD
experiments.
;
# end Validation Reply Form

#----------------------------------------------------------------------------#
#                   CONSTRAINTS AND RESTRAINTS                               #
#----------------------------------------------------------------------------#


#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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 0 '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 0.006 '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'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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
Pt1 Pt 1.08983(2) 0.38908(2) 0.12472(2) 0.01471(6) Uani 1 1 d . . . . .
Pt2 Pt 0.86835(2) 0.51336(2) 0.25521(2) 0.01662(6) Uani 1 1 d . . . . .
Pt4 Pt 0.40310(2) 0.98226(2) 0.37074(2) 0.01716(6) Uani 1 1 d . . . . .
Pt3 Pt 0.62580(2) 0.85774(2) 0.28449(2) 0.01814(6) Uani 1 1 d . . . . .
Dy1 Dy 0.96189(2) 0.20511(2) 0.28124(2) 0.01634(7) Uani 1 1 d . . . . .
Dy2 Dy 0.54479(2) 1.16656(2) 0.22989(2) 0.01890(7) Uani 1 1 d . . . . .
O2 O 1.00517(17) 0.2176(3) 0.3864(3) 0.0237(11) Uani 1 1 d . . . . .
O3 O 0.87122(16) 0.1901(3) 0.2744(3) 0.0222(10) Uani 1 1 d . . . . .
O4 O 0.90202(17) 0.2104(3) 0.3774(3) 0.0245(11) Uani 1 1 d . . . . .
C26 C 0.8238(2) 0.6137(4) 0.2320(3) 0.0142(13) Uani 1 1 d . . . . .
O1 O 0.94086(19) 0.1843(3) 0.1653(3) 0.0302(13) Uani 1 1 d . . . . .
N1 N 0.8640(2) 0.1978(3) 0.3393(3) 0.0229(13) Uani 1 1 d . . . . .
O5 O 0.82235(18) 0.1942(3) 0.3643(3) 0.0347(13) Uani 1 1 d . . . . .
N14 N 0.3512(2) 0.9296(4) 0.4356(3) 0.0247(13) Uani 1 1 d . . . . .
N4 N 1.0583(2) 0.5621(3) 0.1881(3) 0.0236(13) Uani 1 1 d . . . . .
N8 N 0.8011(2) 0.4531(4) 0.2523(3) 0.0242(13) Uani 1 1 d . . . . .
C13 C 1.1163(2) 0.2834(4) 0.0787(3) 0.0123(12) Uani 1 1 d . . . . .
O7 O 0.55777(19) 1.1881(4) 0.3495(3) 0.0333(13) Uani 1 1 d . . . . .
N5 N 1.1302(2) 0.4429(4) 0.0464(3) 0.0211(12) Uani 1 1 d . . . . .
N3 N 1.0262(2) 0.2954(3) 0.2340(3) 0.0208(12) Uani 1 1 d . . . . .
C6 C 1.0694(2) 0.4983(4) 0.1655(3) 0.0168(13) Uani 1 1 d . . . . .
O9 O 0.61031(19) 1.1565(3) 0.1407(3) 0.0309(12) Uani 1 1 d . . . . .
C39 C 0.6914(2) 0.9179(4) 0.3008(3) 0.0146(13) Uani 1 1 d . . . . .
C5 C 1.0509(2) 0.3294(4) 0.1945(4) 0.0198(14) Uani 1 1 d . . . . .
N7 N 0.9663(2) 0.6172(3) 0.2475(3) 0.0216(13) Uani 1 1 d . . . . .
C24 C 0.7613(2) 0.5031(4) 0.2337(3) 0.0199(14) Uani 1 1 d . . . . .
C19 C 0.9300(2) 0.5793(4) 0.2526(3) 0.0187(14) Uani 1 1 d . . . . .
C45 C 0.4255(2) 0.8724(4) 0.3325(4) 0.0225(15) Uani 1 1 d . . . . .
C40 C 0.7019(2) 1.0006(5) 0.2872(4) 0.0253(16) Uani 1 1 d . . . . .
H40 H 0.676256 1.035861 0.269696 0.03 Uiso 1 1 calc R U . . .
O8 O 0.63386(18) 1.1835(3) 0.2464(3) 0.0334(13) Uani 1 1 d . . . . .
C18 C 0.9068(2) 0.4083(4) 0.2726(4) 0.0214(15) Uani 1 1 d . . . . .
N12 N 0.4811(2) 1.0822(4) 0.2854(3) 0.0277(14) Uani 1 1 d . . . . .
C32 C 0.5651(3) 0.7903(4) 0.2700(4) 0.0233(15) Uani 1 1 d . . . . .
C52 C 0.3735(2) 1.0890(4) 0.4117(3) 0.0162(13) Uani 1 1 d . . . . .
N10 N 0.5293(2) 0.7518(4) 0.2623(3) 0.0263(14) Uani 1 1 d . . . . .
O11 O 0.8580(2) 0.1061(4) 0.1285(3) 0.0480(16) Uani 1 1 d . . . . .
C25 C 0.7741(2) 0.5917(4) 0.2213(3) 0.0202(14) Uani 1 1 d . . . . .
C23 C 0.7139(2) 0.4686(5) 0.2280(4) 0.0256(16) Uani 1 1 d . . . . .
H23 H 0.686702 0.503578 0.215518 0.031 Uiso 1 1 calc R U . . .
N9 N 0.5758(2) 1.0250(4) 0.2372(3) 0.0277(14) Uani 1 1 d . . . . .
C33 C 0.6498(3) 0.6788(4) 0.3343(4) 0.0243(15) Uani 1 1 d . . . . .
H33 H 0.616567 0.664325 0.322807 0.029 Uiso 1 1 calc R U . . .
C12 C 1.1473(2) 0.2990(4) 0.0217(3) 0.0190(14) Uani 1 1 d . . . . .
C31 C 0.5930(2) 0.9622(4) 0.2534(4) 0.0244(16) Uani 1 1 d . . . . .
N11 N 0.6667(2) 0.7599(4) 0.3227(3) 0.0257(13) Uani 1 1 d . . . . .
C11 C 1.1548(2) 0.3879(4) 0.0041(3) 0.0191(14) Uani 1 1 d . . . . .
C42 C 0.7867(2) 0.9822(4) 0.3211(4) 0.0238(15) Uani 1 1 d . . . . .
H42 H 0.819254 1.003768 0.327582 0.029 Uiso 1 1 calc R U . . .
C37 C 0.7152(2) 0.7790(4) 0.3389(3) 0.0195(14) Uani 1 1 d . . . . .
C51 C 0.3375(2) 1.0752(4) 0.4612(4) 0.0193(14) Uani 1 1 d . . . . .
C27 C 0.8369(3) 0.6966(4) 0.2226(4) 0.0219(15) Uani 1 1 d . . . . .
H27 H 0.870211 0.713033 0.231361 0.026 Uiso 1 1 calc R U . . .
N6 N 0.9275(2) 0.3459(4) 0.2789(3) 0.0269(14) Uani 1 1 d . . . . .
C30 C 0.7396(2) 0.6519(5) 0.1983(4) 0.0246(16) Uani 1 1 d . . . . .
H30 H 0.706096 0.636456 0.189827 0.03 Uiso 1 1 calc R U . . .
O6 O 0.5049(2) 1.1212(3) 0.1298(3) 0.0325(12) Uani 1 1 d . . . . .
C53 C 0.3843(3) 1.1715(5) 0.3945(4) 0.0295(17) Uani 1 1 d . . . . .
H53 H 0.409348 1.182345 0.361021 0.035 Uiso 1 1 calc R U . . .
C58 C 0.9532(3) 0.0340(6) 0.6053(4) 0.042(2) Uani 1 1 d . . . . .
H58A H 0.916992 0.027878 0.605508 0.063 Uiso 1 1 calc R U . . .
H58B H 0.963885 0.062292 0.648161 0.063 Uiso 1 1 calc R U . . .
H58C H 0.968635 -0.021622 0.602701 0.063 Uiso 1 1 calc R U . . .
C50 C 0.3259(2) 0.9865(4) 0.4761(4) 0.0231(15) Uani 1 1 d . . . . .
C41 C 0.7486(3) 1.0345(5) 0.2981(4) 0.0276(16) Uani 1 1 d . . . . .
H41 H 0.754533 1.092577 0.290039 0.033 Uiso 1 1 calc R U . . .
C44 C 0.4523(2) 1.0436(4) 0.3152(4) 0.0220(15) Uani 1 1 d . . . . .
N2 N 0.6455(2) 1.1720(4) 0.1825(4) 0.0337(16) Uani 1 1 d . . . . .
C20 C 0.7928(3) 0.3702(4) 0.2642(4) 0.0267(16) Uani 1 1 d . . . . .
H20 H 0.819958 0.335409 0.277032 0.032 Uiso 1 1 calc R U . . .
C10 C 1.1839(3) 0.4168(5) -0.0504(4) 0.0256(16) Uani 1 1 d . . . . .
H10 H 1.200767 0.378031 -0.079591 0.031 Uiso 1 1 calc R U . . .
C29 C 0.7549(3) 0.7334(4) 0.1881(4) 0.0256(16) Uani 1 1 d . . . . .
H29 H 0.731899 0.774355 0.172081 0.031 Uiso 1 1 calc R U . . .
C43 C 0.7767(2) 0.8990(4) 0.3344(4) 0.0211(14) Uani 1 1 d . . . . .
H43 H 0.802438 0.862896 0.350185 0.025 Uiso 1 1 calc R U . . .
C38 C 0.7293(2) 0.8674(4) 0.3250(3) 0.0198(14) Uani 1 1 d . . . . .
C28 C 0.8034(3) 0.7563(5) 0.2011(4) 0.0278(17) Uani 1 1 d . . . . .
H28 H 0.813605 0.813022 0.195207 0.033 Uiso 1 1 calc R U . . .
N15 N 0.9796(3) 0.1236(5) 0.4998(4) 0.0445(19) Uani 1 1 d . . . . .
C7 C 1.1350(2) 0.5269(4) 0.0342(4) 0.0211(14) Uani 1 1 d . . . . .
H7A H 1.117885 0.565383 0.063292 0.025 Uiso 1 1 calc R U . . .
C14 C 1.1089(3) 0.2013(4) 0.0980(4) 0.0239(15) Uani 1 1 d . . . . .
H14 H 1.088094 0.18979 0.136618 0.029 Uiso 1 1 calc R U . . .
C21 C 0.7465(3) 0.3345(5) 0.2584(4) 0.0340(19) Uani 1 1 d . . . . .
H21 H 0.74199 0.276079 0.266615 0.041 Uiso 1 1 calc R U . . .
C54 C 0.3599(3) 1.2383(5) 0.4245(4) 0.0334(18) Uani 1 1 d . . . . .
H54 H 0.367283 1.294181 0.410524 0.04 Uiso 1 1 calc R U . . .
C22 C 0.7061(3) 0.3850(5) 0.2402(4) 0.0341(18) Uani 1 1 d . . . . .
H22 H 0.673817 0.361592 0.236305 0.041 Uiso 1 1 calc R U . . .
C57 C 0.9680(3) 0.0838(6) 0.5455(4) 0.0363(19) Uani 1 1 d . . . . .
C46 C 0.3411(3) 0.8461(4) 0.4426(4) 0.0248(15) Uani 1 1 d . . . . .
H46 H 0.358585 0.806744 0.414768 0.03 Uiso 1 1 calc R U . . .
C9 C 1.1884(3) 0.5021(5) -0.0619(4) 0.0267(16) Uani 1 1 d . . . . .
H9 H 1.208141 0.522287 -0.099178 0.032 Uiso 1 1 calc R U . . .
N13 N 0.4360(2) 0.8077(4) 0.3101(3) 0.0284(14) Uani 1 1 d . . . . .
O10 O 0.6887(2) 1.1756(4) 0.1633(4) 0.0514(17) Uani 1 1 d . . . . .
C2 C 1.0563(3) 0.2356(6) 0.4008(4) 0.040(2) Uani 1 1 d . . . . .
H2C H 1.061747 0.236005 0.451267 0.06 Uiso 1 1 calc R U . . .
H2B H 1.077216 0.19229 0.379505 0.06 Uiso 1 1 calc R U . . .
H2A H 1.06487 0.290671 0.381469 0.06 Uiso 1 1 calc R U . . .
C36 C 0.7467(3) 0.7194(4) 0.3673(4) 0.0233(15) Uani 1 1 d . . . . .
H36 H 0.779889 0.73391 0.378959 0.028 Uiso 1 1 calc R U . . .
C34 C 0.6813(2) 0.6184(4) 0.3626(4) 0.0233(15) Uani 1 1 d . . . . .
H34 H 0.669393 0.563114 0.370857 0.028 Uiso 1 1 calc R U . . .
C8 C 1.1639(3) 0.5577(5) -0.0191(4) 0.0281(16) Uani 1 1 d . . . . .
H8 H 1.166947 0.616607 -0.026258 0.034 Uiso 1 1 calc R U . . .
C17 C 1.1700(3) 0.2317(5) -0.0137(4) 0.0266(16) Uani 1 1 d . . . . .
H17 H 1.191394 0.242863 -0.051734 0.032 Uiso 1 1 calc R U . . .
N16 N 0.5043(3) 1.1367(6) 0.4652(4) 0.054(2) Uani 1 1 d . . . . .
C47 C 0.3062(3) 0.8172(5) 0.4888(4) 0.0296(17) Uani 1 1 d . . . . .
H47 H 0.299117 0.758865 0.491732 0.036 Uiso 1 1 calc R U . . .
C56 C 0.3131(3) 1.1421(5) 0.4930(4) 0.0306(17) Uani 1 1 d . . . . .
H56 H 0.288485 1.131438 0.527245 0.037 Uiso 1 1 calc R U . . .
C16 C 1.1614(3) 0.1500(5) 0.0064(4) 0.0287(17) Uani 1 1 d . . . . .
H16 H 1.176277 0.104715 -0.018158 0.034 Uiso 1 1 calc R U . . .
C49 C 0.2910(3) 0.9581(5) 0.5240(4) 0.0280(16) Uani 1 1 d . . . . .
H49 H 0.273528 0.997346 0.551942 0.034 Uiso 1 1 calc R U . . .
C35 C 0.7295(3) 0.6385(4) 0.3788(3) 0.0211(14) Uani 1 1 d . . . . .
H35 H 0.751006 0.597069 0.397774 0.025 Uiso 1 1 calc R U . . .
C15 C 1.1307(3) 0.1346(4) 0.0632(4) 0.0273(16) Uani 1 1 d . . . . .
H15 H 1.124657 0.078533 0.078023 0.033 Uiso 1 1 calc R U . . .
C48 C 0.2817(3) 0.8736(5) 0.5310(4) 0.0325(18) Uani 1 1 d . . . . .
H48 H 0.25859 0.85415 0.564572 0.039 Uiso 1 1 calc R U . . .
C64 C 0.9005(4) -0.0265(6) 0.1440(5) 0.057(3) Uani 1 1 d . . . . .
H64B H 0.897153 -0.083341 0.163153 0.086 Uiso 1 1 calc R U . . .
H64C H 0.906617 -0.030056 0.093781 0.086 Uiso 1 1 calc R U . . .
H64A H 0.928373 0.002139 0.166688 0.086 Uiso 1 1 calc R U . . .
C55 C 0.3244(3) 1.2236(5) 0.4751(4) 0.0346(19) Uani 1 1 d . . . . .
H55 H 0.308126 1.269331 0.497174 0.041 Uiso 1 1 calc R U . . .
C60 C 0.4531(3) 1.0757(7) 0.5678(5) 0.050(2) Uani 1 1 d . . . . .
H60A H 0.475549 1.063267 0.606758 0.075 Uiso 1 1 calc R U . . .
H60B H 0.436496 1.023881 0.552946 0.075 Uiso 1 1 calc R U . . .
H60C H 0.428275 1.116845 0.582604 0.075 Uiso 1 1 calc R U . . .
C59 C 0.4815(3) 1.1099(6) 0.5100(5) 0.041(2) Uani 1 1 d . . . . .
C63 C 0.8544(4) 0.0211(6) 0.1564(6) 0.053(3) Uani 1 1 d . . . . .
H63A H 0.826214 -0.008455 0.134102 0.064 Uiso 1 1 calc R U . . .
H63B H 0.847994 0.023776 0.207089 0.064 Uiso 1 1 calc R U . . .
C61 C 0.8191(4) 0.2380(6) 0.1066(5) 0.057(3) Uani 1 1 d . . . . .
H61B H 0.788326 0.270255 0.111315 0.085 Uiso 1 1 calc R U . . .
H61C H 0.845871 0.266649 0.131894 0.085 Uiso 1 1 calc R U . . .
H61A H 0.82786 0.233528 0.057296 0.085 Uiso 1 1 calc R U . . .
C62 C 0.8121(3) 0.1536(7) 0.1357(5) 0.052(3) Uani 1 1 d . . . . .
H62A H 0.802934 0.157705 0.185469 0.062 Uiso 1 1 calc R U . . .
H62B H 0.784873 0.124492 0.110665 0.062 Uiso 1 1 calc R U . . .
O12 O 0.7616(4) 0.0228(6) 0.0074(6) 0.069(3) Uani 0.75 1 d . . P . .
C1 C 0.9702(4) 0.1819(8) 0.1029(5) 0.067(3) Uani 1 1 d . . . . .
H1A H 0.94853 0.17158 0.062737 0.101 Uiso 1 1 calc R U . . .
H1C H 0.987239 0.235808 0.097018 0.101 Uiso 1 1 calc R U . . .
H1B H 0.994729 0.136669 0.106592 0.101 Uiso 1 1 calc R U . . .
C4 C 0.6019(4) 1.2025(9) 0.3897(5) 0.071(3) Uani 1 1 d . . . . .
H4C H 0.593125 1.208818 0.438863 0.106 Uiso 1 1 calc R U . . .
H4A H 0.624446 1.154612 0.38429 0.106 Uiso 1 1 calc R U . . .
H4B H 0.618242 1.253795 0.373316 0.106 Uiso 1 1 calc R U . . .
C65 C 0.8254(7) 0.0935(8) -0.0565(6) 0.075(6) Uani 0.75 1 d . . P . .
H65A H 0.83072 0.139159 -0.089967 0.112 Uiso 0.75 1 calc R U P . .
H65C H 0.844047 0.105279 -0.013705 0.112 Uiso 0.75 1 calc R U P . .
H65B H 0.836927 0.040397 -0.076635 0.112 Uiso 0.75 1 calc R U P . .
C3 C 0.4987(5) 1.1694(6) 0.0698(5) 0.060(3) Uani 1 1 d . . . . .
H3A H 0.480726 1.136472 0.034673 0.091 Uiso 1 1 calc R U . . .
H3B H 0.479683 1.220118 0.080946 0.091 Uiso 1 1 calc R U . . .
H3C H 0.531236 1.185417 0.051501 0.091 Uiso 1 1 calc R U . . .
C68 C 0.7129(6) -0.0530(10) 0.0955(9) 0.071(5) Uani 0.75 1 d . . P . .
H68B H 0.679823 -0.057797 0.116014 0.107 Uiso 0.75 1 calc R U P . .
H68C H 0.722415 -0.10705 0.074922 0.107 Uiso 0.75 1 calc R U P . .
H68A H 0.736936 -0.037564 0.131703 0.107 Uiso 0.75 1 calc R U P . .
C66 C 0.7690(7) 0.0868(9) -0.0394(8) 0.070(5) Uani 0.75 1 d . . P . .
H66A H 0.757111 0.140485 -0.019527 0.084 Uiso 0.75 1 calc R U P . .
H66B H 0.749973 0.075442 -0.082613 0.084 Uiso 0.75 1 calc R U P . .
C67 C 0.7123(5) 0.0140(14) 0.0395(10) 0.104(8) Uani 0.75 1 d . . P . .
H67B H 0.687707 -0.001213 0.003228 0.125 Uiso 0.75 1 calc R U P . .
H67A H 0.702247 0.068362 0.06008 0.125 Uiso 0.75 1 calc R U P . .
C69 C 0.5773(4) 0.9653(7) 0.0420(5) 0.058(3) Uani 1 1 d . . . A 1
H69A H 0.557444 0.981101 0.001232 0.087 Uiso 1 1 calc R U . A 1
H69B H 0.606276 0.932928 0.027059 0.087 Uiso 1 1 calc R U . A 1
H69C H 0.588294 1.016167 0.066385 0.087 Uiso 1 1 calc R U . A 1
C70 C 0.5455(4) 0.9112(7) 0.0916(5) 0.057(3) Uani 1 1 d . . . A 1
H70A H 0.538615 0.855739 0.070293 0.069 Uiso 1 1 calc R U . A 1
H70B H 0.563346 0.90208 0.136116 0.069 Uiso 1 1 calc R U . A 1
C72A C 0.4190(4) 0.9519(7) 0.1518(6) 0.036(3) Uani 0.75 1 d . . P A 1
H72A H 0.422351 1.013105 0.147729 0.054 Uiso 0.75 1 calc R U P A 1
H72B H 0.401638 0.93817 0.195024 0.054 Uiso 0.75 1 calc R U P A 1
H72C H 0.400092 0.930358 0.111972 0.054 Uiso 0.75 1 calc R U P A 1
O13A O 0.4992(2) 0.9558(4) 0.1042(3) 0.0264(15) Uani 0.75 1 d . . P A 1
C71A C 0.4681(4) 0.9137(6) 0.1527(5) 0.025(2) Uani 0.75 1 d . . P A 1
H71A H 0.482534 0.917767 0.200016 0.03 Uiso 0.75 1 calc R U P A 1
H71B H 0.465448 0.853421 0.140245 0.03 Uiso 0.75 1 calc R U P A 1
H1 H 0.915(3) 0.167(5) 0.162(4) 0.03 Uiso 1 1 d . U . . .
H7 H 0.538(3) 1.176(6) 0.370(4) 0.03 Uiso 1 1 d . U . . .
H6 H 0.503(3) 1.059(5) 0.121(4) 0.03 Uiso 1 1 d . U . . .
H2 H 0.991(3) 0.189(5) 0.424(4) 0.03 Uiso 1 1 d . U . . .



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_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
Pt1 C5 1.952(7) . ?
Pt1 C6 1.985(7) . ?
Pt1 C13 2.029(6) . ?
Pt1 N5 2.047(6) . ?
Pt2 C19 1.967(7) . ?
Pt2 C18 1.994(7) . ?
Pt2 C26 2.045(6) . ?
Pt2 N8 2.051(6) . ?
Pt4 C44 1.965(7) . ?
Pt4 C45 1.990(7) . ?
Pt4 C52 2.034(6) . ?
Pt4 N14 2.054(6) . ?
Pt3 C31 1.973(7) . ?
Pt3 C32 1.974(7) . ?
Pt3 C39 2.035(6) . ?
Pt3 N11 2.043(6) . ?
Dy1 O1 2.320(5) . ?
Dy1 O2 2.337(5) . ?
Dy1 N4 2.412(6) 2_745 ?
Dy1 N6 2.424(6) . ?
Dy1 N3 2.429(5) . ?
Dy1 N7 2.452(5) 2_745 ?
Dy1 O4 2.458(5) . ?
Dy1 O3 2.459(4) . ?
Dy1 N1 2.872(5) . ?
Dy2 O6 2.314(5) . ?
Dy2 O7 2.347(6) . ?
Dy2 N9 2.406(6) . ?
Dy2 N10 2.419(6) 2_655 ?
Dy2 N12 2.428(6) . ?
Dy2 N13 2.429(6) 2_655 ?
Dy2 O8 2.436(5) . ?
Dy2 O9 2.470(5) . ?
Dy2 N2 2.869(6) . ?
O2 C2 1.434(8) . ?
O3 N1 1.269(7) . ?
O4 N1 1.274(7) . ?
C26 C27 1.376(9) . ?
C26 C25 1.400(9) . ?
O1 C1 1.437(10) . ?
N1 O5 1.223(7) . ?
N14 C46 1.363(9) . ?
N14 C50 1.377(9) . ?
N4 C6 1.144(8) . ?
N8 C20 1.357(9) . ?
N8 C24 1.383(8) . ?
C13 C14 1.372(9) . ?
C13 C12 1.402(9) . ?
O7 C4 1.434(10) . ?
N5 C7 1.362(9) . ?
N5 C11 1.368(8) . ?
N3 C5 1.145(9) . ?
O9 N2 1.265(8) . ?
C39 C40 1.372(9) . ?
C39 C38 1.378(9) . ?
N7 C19 1.153(8) . ?
C24 C23 1.395(9) . ?
C24 C25 1.470(10) . ?
C45 N13 1.151(9) . ?
C40 C41 1.384(10) . ?
O8 N2 1.282(9) . ?
C18 N6 1.145(9) . ?
N12 C44 1.144(9) . ?
C32 N10 1.153(9) . ?
C52 C51 1.381(9) . ?
C52 C53 1.384(10) . ?
O11 C62 1.457(11) . ?
O11 C63 1.459(11) . ?
C25 C30 1.405(9) . ?
C23 C22 1.367(11) . ?
N9 C31 1.144(9) . ?
C33 N11 1.387(9) . ?
C33 C34 1.391(10) . ?
C12 C17 1.408(9) . ?
C12 C11 1.467(10) . ?
N11 C37 1.376(9) . ?
C11 C10 1.389(9) . ?
C42 C43 1.375(10) . ?
C42 C41 1.393(10) . ?
C37 C36 1.384(9) . ?
C37 C38 1.482(9) . ?
C51 C56 1.393(9) . ?
C51 C50 1.474(10) . ?
C27 C28 1.373(10) . ?
C30 C29 1.375(10) . ?
O6 C3 1.394(10) . ?
C53 C54 1.378(10) . ?
C58 C57 1.453(11) . ?
C50 C49 1.392(10) . ?
N2 O10 1.224(8) . ?
C20 C21 1.375(10) . ?
C10 C9 1.379(10) . ?
C29 C28 1.378(10) . ?
C43 C38 1.382(9) . ?
N15 C57 1.126(10) . ?
C7 C8 1.380(10) . ?
C14 C15 1.385(10) . ?
C21 C22 1.395(11) . ?
C54 C55 1.385(11) . ?
C46 C47 1.373(10) . ?
C9 C8 1.377(10) . ?
C36 C35 1.386(10) . ?
C34 C35 1.372(9) . ?
C17 C16 1.375(11) . ?
N16 C59 1.141(11) . ?
C47 C48 1.378(11) . ?
C56 C55 1.376(11) . ?
C16 C15 1.395(10) . ?
C49 C48 1.374(11) . ?
C64 C63 1.475(13) . ?
C60 C59 1.456(12) . ?
C61 C62 1.467(13) . ?
O12 C66 1.374(16) . ?
O12 C67 1.473(18) . ?
C65 C66 1.56(2) . ?
C68 C67 1.51(2) . ?
C69 C70 1.546(14) . ?
C70 O13A 1.456(11) . ?
C72A C71A 1.455(14) . ?
O13A C71A 1.423(11) . ?

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
C5 Pt1 C6 90.2(3) . . ?
C5 Pt1 C13 95.0(3) . . ?
C6 Pt1 C13 174.5(2) . . ?
C5 Pt1 N5 175.2(3) . . ?
C6 Pt1 N5 94.2(2) . . ?
C13 Pt1 N5 80.7(2) . . ?
C19 Pt2 C18 90.7(3) . . ?
C19 Pt2 C26 94.2(3) . . ?
C18 Pt2 C26 174.2(3) . . ?
C19 Pt2 N8 174.7(3) . . ?
C18 Pt2 N8 94.1(3) . . ?
C26 Pt2 N8 80.9(2) . . ?
C44 Pt4 C45 91.7(3) . . ?
C44 Pt4 C52 93.5(3) . . ?
C45 Pt4 C52 174.3(3) . . ?
C44 Pt4 N14 173.7(3) . . ?
C45 Pt4 N14 94.2(3) . . ?
C52 Pt4 N14 80.7(2) . . ?
C31 Pt3 C32 92.6(3) . . ?
C31 Pt3 C39 92.2(3) . . ?
C32 Pt3 C39 175.1(3) . . ?
C31 Pt3 N11 172.3(3) . . ?
C32 Pt3 N11 94.7(3) . . ?
C39 Pt3 N11 80.5(2) . . ?
O1 Dy1 O2 163.98(17) . . ?
O1 Dy1 N4 92.6(2) . 2_745 ?
O2 Dy1 N4 88.93(19) . 2_745 ?
O1 Dy1 N6 91.3(2) . . ?
O2 Dy1 N6 97.3(2) . . ?
N4 Dy1 N6 142.14(18) 2_745 . ?
O1 Dy1 N3 84.14(19) . . ?
O2 Dy1 N3 85.31(18) . . ?
N4 Dy1 N3 144.13(18) 2_745 . ?
N6 Dy1 N3 73.72(18) . . ?
O1 Dy1 N7 83.86(19) . 2_745 ?
O2 Dy1 N7 81.41(18) . 2_745 ?
N4 Dy1 N7 72.28(18) 2_745 2_745 ?
N6 Dy1 N7 145.55(18) . 2_745 ?
N3 Dy1 N7 71.85(18) . 2_745 ?
O1 Dy1 O4 124.56(17) . . ?
O2 Dy1 O4 71.03(16) . . ?
N4 Dy1 O4 72.53(18) 2_745 . ?
N6 Dy1 O4 74.38(18) . . ?
N3 Dy1 O4 137.03(17) . . ?
N7 Dy1 O4 135.16(18) 2_745 . ?
O1 Dy1 O3 72.26(17) . . ?
O2 Dy1 O3 123.20(16) . . ?
N4 Dy1 O3 72.35(17) 2_745 . ?
N6 Dy1 O3 73.09(17) . . ?
N3 Dy1 O3 138.39(17) . . ?
N7 Dy1 O3 135.87(17) 2_745 . ?
O4 Dy1 O3 52.30(16) . . ?
O1 Dy1 N1 98.35(18) . . ?
O2 Dy1 N1 97.16(17) . . ?
N4 Dy1 N1 70.07(17) 2_745 . ?
N6 Dy1 N1 72.11(17) . . ?
N3 Dy1 N1 145.79(17) . . ?
N7 Dy1 N1 142.34(17) 2_745 . ?
O4 Dy1 N1 26.22(16) . . ?
O3 Dy1 N1 26.09(16) . . ?
O6 Dy2 O7 157.75(18) . . ?
O6 Dy2 N9 85.2(2) . . ?
O7 Dy2 N9 91.7(2) . . ?
O6 Dy2 N10 81.1(2) . 2_655 ?
O7 Dy2 N10 88.7(2) . 2_655 ?
N9 Dy2 N10 143.89(19) . 2_655 ?
O6 Dy2 N12 82.3(2) . . ?
O7 Dy2 N12 75.8(2) . . ?
N9 Dy2 N12 72.76(19) . . ?
N10 Dy2 N12 72.38(19) 2_655 . ?
O6 Dy2 N13 97.1(2) . 2_655 ?
O7 Dy2 N13 98.2(2) . 2_655 ?
N9 Dy2 N13 143.97(19) . 2_655 ?
N10 Dy2 N13 71.26(19) 2_655 2_655 ?
N12 Dy2 N13 143.26(19) . 2_655 ?
O6 Dy2 O8 126.67(19) . . ?
O7 Dy2 O8 73.31(19) . . ?
N9 Dy2 O8 75.73(19) . . ?
N10 Dy2 O8 138.04(19) 2_655 . ?
N12 Dy2 O8 134.57(19) . . ?
N13 Dy2 O8 74.21(19) 2_655 . ?
O6 Dy2 O9 74.61(18) . . ?
O7 Dy2 O9 125.71(18) . . ?
N9 Dy2 O9 74.37(19) . . ?
N10 Dy2 O9 132.21(19) 2_655 . ?
N12 Dy2 O9 141.01(19) . . ?
N13 Dy2 O9 71.73(18) 2_655 . ?
O8 Dy2 O9 52.46(19) . . ?
O6 Dy2 N2 100.5(2) . . ?
O7 Dy2 N2 99.7(2) . . ?
N9 Dy2 N2 73.57(18) . . ?
N10 Dy2 N2 141.79(18) 2_655 . ?
N12 Dy2 N2 145.83(18) . . ?
N13 Dy2 N2 70.66(18) 2_655 . ?
O8 Dy2 N2 26.39(19) . . ?
O9 Dy2 N2 26.07(19) . . ?
C2 O2 Dy1 131.3(5) . . ?
N1 O3 Dy1 95.5(4) . . ?
N1 O4 Dy1 95.3(4) . . ?
C27 C26 C25 117.7(6) . . ?
C27 C26 Pt2 128.8(5) . . ?
C25 C26 Pt2 113.4(5) . . ?
C1 O1 Dy1 132.1(5) . . ?
O5 N1 O3 121.8(6) . . ?
O5 N1 O4 121.3(6) . . ?
O3 N1 O4 116.9(5) . . ?
O5 N1 Dy1 179.5(5) . . ?
O3 N1 Dy1 58.5(3) . . ?
O4 N1 Dy1 58.5(3) . . ?
C46 N14 C50 118.9(6) . . ?
C46 N14 Pt4 126.5(5) . . ?
C50 N14 Pt4 114.6(5) . . ?
C6 N4 Dy1 171.3(6) . 2_755 ?
C20 N8 C24 118.3(6) . . ?
C20 N8 Pt2 126.7(5) . . ?
C24 N8 Pt2 115.0(4) . . ?
C14 C13 C12 117.8(6) . . ?
C14 C13 Pt1 128.3(5) . . ?
C12 C13 Pt1 113.9(4) . . ?
C4 O7 Dy2 132.1(6) . . ?
C7 N5 C11 118.6(6) . . ?
C7 N5 Pt1 126.0(5) . . ?
C11 N5 Pt1 115.4(4) . . ?
C5 N3 Dy1 160.6(5) . . ?
N4 C6 Pt1 178.6(6) . . ?
N2 O9 Dy2 94.8(4) . . ?
C40 C39 C38 118.1(6) . . ?
C40 C39 Pt3 126.9(5) . . ?
C38 C39 Pt3 114.9(5) . . ?
N3 C5 Pt1 177.0(6) . . ?
C19 N7 Dy1 170.9(6) . 2_755 ?
N8 C24 C23 120.2(6) . . ?
N8 C24 C25 114.3(6) . . ?
C23 C24 C25 125.5(6) . . ?
N7 C19 Pt2 176.4(6) . . ?
N13 C45 Pt4 176.6(6) . . ?
C39 C40 C41 122.1(7) . . ?
N2 O8 Dy2 96.0(4) . . ?
N6 C18 Pt2 175.7(7) . . ?
C44 N12 Dy2 176.1(6) . . ?
N10 C32 Pt3 178.9(7) . . ?
C51 C52 C53 117.6(6) . . ?
C51 C52 Pt4 114.3(5) . . ?
C53 C52 Pt4 128.1(5) . . ?
C32 N10 Dy2 168.8(6) . 2_645 ?
C62 O11 C63 112.9(7) . . ?
C26 C25 C30 120.5(6) . . ?
C26 C25 C24 116.2(6) . . ?
C30 C25 C24 123.3(6) . . ?
C22 C23 C24 120.7(7) . . ?
C31 N9 Dy2 166.8(6) . . ?
N11 C33 C34 120.3(6) . . ?
C13 C12 C17 120.2(6) . . ?
C13 C12 C11 115.7(6) . . ?
C17 C12 C11 124.1(6) . . ?
N9 C31 Pt3 176.5(7) . . ?
C37 N11 C33 118.8(6) . . ?
C37 N11 Pt3 115.1(5) . . ?
C33 N11 Pt3 126.1(5) . . ?
N5 C11 C10 120.8(6) . . ?
N5 C11 C12 114.4(6) . . ?
C10 C11 C12 124.9(6) . . ?
C43 C42 C41 119.3(6) . . ?
N11 C37 C36 121.3(6) . . ?
N11 C37 C38 114.5(6) . . ?
C36 C37 C38 124.3(6) . . ?
C52 C51 C56 121.1(6) . . ?
C52 C51 C50 115.8(6) . . ?
C56 C51 C50 123.1(6) . . ?
C28 C27 C26 122.3(7) . . ?
C18 N6 Dy1 171.5(6) . . ?
C29 C30 C25 119.3(7) . . ?
C3 O6 Dy2 124.8(5) . . ?
C54 C53 C52 122.1(7) . . ?
N14 C50 C49 119.9(7) . . ?
N14 C50 C51 114.4(6) . . ?
C49 C50 C51 125.7(6) . . ?
C40 C41 C42 119.0(7) . . ?
N12 C44 Pt4 176.7(7) . . ?
O10 N2 O9 122.1(8) . . ?
O10 N2 O8 121.2(7) . . ?
O9 N2 O8 116.7(6) . . ?
O10 N2 Dy2 178.6(6) . . ?
O9 N2 Dy2 59.1(3) . . ?
O8 N2 Dy2 57.6(3) . . ?
N8 C20 C21 122.6(7) . . ?
C9 C10 C11 119.8(7) . . ?
C30 C29 C28 120.5(7) . . ?
C42 C43 C38 120.5(6) . . ?
C39 C38 C43 121.0(6) . . ?
C39 C38 C37 115.0(6) . . ?
C43 C38 C37 124.0(6) . . ?
C27 C28 C29 119.6(7) . . ?
N5 C7 C8 122.1(7) . . ?
C13 C14 C15 122.5(7) . . ?
C20 C21 C22 119.3(7) . . ?
C53 C54 C55 119.7(7) . . ?
C23 C22 C21 118.9(7) . . ?
N15 C57 C58 178.8(10) . . ?
N14 C46 C47 121.9(7) . . ?
C8 C9 C10 119.6(7) . . ?
C45 N13 Dy2 175.9(6) . 2_645 ?
C37 C36 C35 119.6(6) . . ?
C35 C34 C33 120.3(6) . . ?
C9 C8 C7 119.1(7) . . ?
C16 C17 C12 120.7(7) . . ?
C46 C47 C48 119.5(7) . . ?
C55 C56 C51 120.3(7) . . ?
C17 C16 C15 119.1(7) . . ?
C48 C49 C50 120.4(7) . . ?
C34 C35 C36 119.8(6) . . ?
C14 C15 C16 119.7(7) . . ?
C49 C48 C47 119.4(7) . . ?
C56 C55 C54 119.3(7) . . ?
N16 C59 C60 179.2(10) . . ?
O11 C63 C64 111.1(8) . . ?
O11 C62 C61 109.1(8) . . ?
C66 O12 C67 118.5(14) . . ?
O12 C66 C65 109.4(13) . . ?
O12 C67 C68 110.9(14) . . ?
O13A C70 C69 108.0(8) . . ?
C71A O13A C70 112.8(7) . . ?
O13A C71A C72A 109.4(8) . . ?



# END of CIF
####################################################################### 
# 
# 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_shelx_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2287740'
loop_
_audit_author_name
_audit_author_address
'Szymon Chorazy'
;Faculty of Chemistry, Jagiellonian University
Poland
;
_audit_update_record             
;
2024-05-01 deposited with the CCDC.	2024-09-25 downloaded from the CCDC.
;

_audit_creation_date             2024-03-18T18:00:39-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.5
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_formula_moiety         'C142 H128 Dy4 N42 O25 Pt8'
_chemical_formula_sum            'C142 H128 Dy4 N42 O25 Pt8'
_chemical_formula_weight         5033.58

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.7982(13)
_cell_length_b                   17.3783(15)
_cell_length_c                   17.8978(15)
_cell_angle_alpha                98.509(3)
_cell_angle_beta                 111.678(3)
_cell_angle_gamma                109.076(3)
_cell_volume                     4108.6(6)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    71111
_cell_measurement_theta_min      2.132
_cell_measurement_theta_max      25.027
_cell_measurement_wavelength     0.71073

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       block
_exptl_crystal_colour            green
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_exptl_crystal_density_diffrn    2.034
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2362

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    8.649
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5703
_exptl_absorpt_correction_T_max  0.7467
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_probe          x-ray
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'D8Venture Photon III CPAD'
_diffrn_measurement_method       ω
_diffrn_standards_number         0
_diffrn_standards_interval_time  0
_diffrn_standards_interval_count 0
_diffrn_standards_decay_%        0
_diffrn_reflns_av_R_equivalents  0.0725
_diffrn_reflns_av_unetI/netI     0.0557
_diffrn_reflns_number            71111
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.132
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_full        25.027
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_reflns_Friedel_coverage         0
_reflns_number_total             14517
_reflns_number_gt                11988
_reflns_threshold_expression     'I > 2σ(I)'

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       'APEX4 (Bruker, 2021)'
_computing_cell_refinement       'SAINT (Bruker, 2021)'
_computing_data_reduction        'SAINT (Bruker, 2021)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION                                       #
#----------------------------------------------------------------------------#

_atom_sites_solution_hydrogens   mixed

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_shelx_SHELXL_version_number     2018/3
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0416P)²+41.4927P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_number_reflns         14517
_refine_ls_number_parameters     1043
_refine_ls_number_restraints     40
_refine_ls_number_constraints    0
_refine_ls_R_factor_all          0.0589
_refine_ls_R_factor_gt           0.046
_refine_ls_wR_factor_ref         0.1108
_refine_ls_wR_factor_gt          0.1037
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_restrained_S_all      1.053
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_diff_density_max         3.978
_refine_diff_density_min         -3.332
_refine_diff_density_rms         0.209

# start Validation Reply Form 
_vrf_PLAT971_shelx               
;
RESPONSE: Large calculated positive residual densities are due to the presence 
of heavy atoms in the crystal structure (Dy, Pt). All of them are close to 
the positions occupied by Dy and Pt atoms, but cannot be fully described by
their elipsoids. Although large positive residual densities can 
be described by the insertion of additional Dy and Pt atoms with small 
occupancies (<0.01), but this yields a chemically unreliable 
structural model and a rather unstable refinement procedure.
;
_vrf_PLAT972_shelx               
;
RESPONSE: Large calculated negative residual densities are due to the presence 
of heavy atoms in the crystal structure (Dy, Pt) and are related to positive 
residual densities. Decreasing partial occupancies of atoms would solve this 
problem but it yields a chemically unreliable structural model with
a rather unstable refinement procedure.
;
_vrf_PLAT411_shelx               
;
RESPONSE: Short H...H contact originate from the presence of  
structural disorder found for the crystallization solvent in the crystal 
structure of this compound. This alert is partially due to the presence 
of a variety of different solvents, including methanol, acetonitrile, and 
diethyl ether, necessary to obtain single crystals suitable for XRD
experiments.
;
_vrf_PLAT417_shelx               
;
RESPONSE: Short D-H and H-D distances originate from the presence of  
structural disorder found for the crystallization solvent in the crystal 
structure of this compound. This alert is partially due to the presence 
of a variety of different solvents, including methanol, acetonitrile, and 
diethyl ether, necessary to obtain single crystals suitable for XRD
experiments.
;
_vrf_PLAT420_shelx               
;
RESPONSE: This alert also originate from the presence of  
structural disorder found for the crystallization solvent in the crystal 
structure of this compound. This alert is partially due to the presence 
of a variety of different solvents, including methanol, acetonitrile, and 
diethyl ether, necessary to obtain single crystals suitable for XRD
experiments.
;
# end Validation Reply Form

#----------------------------------------------------------------------------#
#                   CONSTRAINTS AND RESTRAINTS                               #
#----------------------------------------------------------------------------#


#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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 0 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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
Pt2 Pt 0.29359(3) 0.84276(2) 0.58805(3) 0.02422(10) Uani 1 1 d . . . . .
Pt4 Pt -0.23771(3) 0.91980(2) 0.75442(3) 0.02464(10) Uani 1 1 d . . . . .
Pt1 Pt 0.07761(3) 0.48987(2) 0.69979(2) 0.02287(10) Uani 1 1 d . . . . .
Pt3 Pt -0.17627(3) 0.61460(2) 0.88328(2) 0.02234(10) Uani 1 1 d . . . . .
Dy2 Dy 0.46293(4) 0.63363(3) 0.72917(3) 0.02405(12) Uani 1 1 d . . . . .
Dy1 Dy 0.02160(4) 0.78624(3) 0.71866(4) 0.03403(14) Uani 1 1 d . . . . .
O6 O 0.4061(6) 0.5639(5) 0.5930(4) 0.0331(17) Uani 1 1 d . . . . .
N17 N -0.2250(7) 0.5667(6) 0.9652(6) 0.036(2) Uani 1 1 d . . . . .
O8 O 0.4702(6) 0.5682(6) 0.8430(5) 0.0377(19) Uani 1 1 d . . . . .
O7 O 0.5426(6) 0.7404(5) 0.8522(5) 0.044(2) Uani 1 1 d . . . . .
O1 O -0.0989(7) 0.7031(5) 0.5817(5) 0.042(2) Uani 1 1 d D . . . .
N11 N 0.0834(7) 0.3732(6) 0.6936(5) 0.031(2) Uani 1 1 d . . . . .
O9 O 0.4059(6) 0.4789(5) 0.7182(5) 0.0354(18) Uani 1 1 d . . . . .
N14 N 0.3780(7) 0.8632(6) 0.5231(6) 0.035(2) Uani 1 1 d . . . . .
O5 O 0.1478(7) 0.8134(5) 0.8486(5) 0.046(2) Uani 1 1 d . . . . .
N13 N 0.3910(7) 0.7321(6) 0.6813(6) 0.037(2) Uani 1 1 d . . . . .
C35 C 0.3557(7) 0.9088(6) 0.4679(6) 0.025(2) Uani 1 1 d . . . . .
N19 N -0.4154(7) 0.7422(6) 0.6992(6) 0.030(2) Uani 1 1 d . . . . .
O3 O 0.1081(7) 0.9413(6) 0.7750(6) 0.052(2) Uani 1 1 d . . . . .
N18 N -0.1081(7) 0.8305(5) 0.7192(6) 0.031(2) Uani 1 1 d . . . . .
C47 C -0.0563(8) 0.5823(6) 1.0324(6) 0.026(2) Uani 1 1 d . . . . .
O2 O 0.0131(7) 0.8924(6) 0.6393(6) 0.044(2) Uani 1 1 d . . . . .
C42 C -0.0469(7) 0.6160(6) 0.9683(6) 0.019(2) Uani 1 1 d . . . . .
C36 C 0.4043(8) 0.9220(7) 0.4171(7) 0.034(3) Uani 1 1 d . . . . .
H36 H 0.388564 0.952841 0.378267 0.041 Uiso 1 1 calc R U . . .
N15 N -0.0727(7) 0.6976(6) 0.7794(6) 0.032(2) Uani 1 1 d . . . . .
C40 C -0.1124(8) 0.6656(6) 0.8162(7) 0.028(2) Uani 1 1 d . . . . .
C34 C 0.2778(8) 0.9383(6) 0.4676(7) 0.027(2) Uani 1 1 d . . . . .
C54 C -0.3533(9) 0.8084(7) 0.7163(7) 0.029(2) Uani 1 1 d . . . . .
C29 C 0.2351(7) 0.9122(5) 0.5198(6) 0.0163(19) Uani 1 1 d . . . . .
N10 N 0.2973(7) 0.5843(5) 0.7240(5) 0.029(2) Uani 1 1 d . . . . .
C16 C -0.0598(8) 0.4207(6) 0.6910(6) 0.026(2) Uani 1 1 d . . . . .
N20 N -0.1216(7) 1.0388(6) 0.8023(6) 0.037(2) Uani 1 1 d . . . . .
N12 N 0.1508(7) 0.8156(6) 0.6731(6) 0.035(2) Uani 1 1 d . . . . .
C55 C -0.3131(7) 0.9921(6) 0.7712(6) 0.022(2) Uani 1 1 d . . . . .
C27 C 0.2043(8) 0.8273(6) 0.6423(7) 0.029(2) Uani 1 1 d . . . . .
C15 C 0.2156(8) 0.5500(7) 0.7135(7) 0.027(2) Uani 1 1 d . . . . .
C38 C 0.4969(8) 0.8464(7) 0.4789(7) 0.037(3) Uani 1 1 d . . . . .
H38 H 0.54649 0.825373 0.483514 0.044 Uiso 1 1 calc R U . . .
C14 C 0.0563(8) 0.5941(7) 0.7017(7) 0.027(2) Uani 1 1 d . . . . .
N16 N -0.3865(7) 0.6054(6) 0.7664(6) 0.033(2) Uani 1 1 d . . . . .
C48 C -0.1544(8) 0.5551(7) 1.0294(6) 0.028(2) Uani 1 1 d . . . . .
C41 C -0.3085(8) 0.6088(6) 0.8078(7) 0.027(2) Uani 1 1 d . . . . .
N1 N 0.0760(9) 0.9559(7) 0.7043(10) 0.057(3) Uani 1 1 d . . . . .
C53 C -0.1572(8) 0.8611(6) 0.7338(7) 0.026(2) Uani 1 1 d . . . . .
C30 C 0.1608(8) 0.9354(7) 0.5207(7) 0.032(2) Uani 1 1 d . . . . .
H30 H 0.130596 0.91738 0.555784 0.038 Uiso 1 1 calc R U . . .
N8 N 0.4303(7) 0.4913(7) 0.7966(7) 0.037(2) Uani 1 1 d . . . . .
C33 C 0.2458(8) 0.9870(7) 0.4180(7) 0.032(2) Uani 1 1 d . . . . .
H33 H 0.274891 1.00372 0.381771 0.038 Uiso 1 1 calc R U . . .
N9 N 0.0446(7) 0.6558(6) 0.7013(6) 0.037(2) Uani 1 1 d . . . . .
C43 C 0.0437(9) 0.6417(7) 0.9662(7) 0.035(3) Uani 1 1 d . . . . .
H43 H 0.049729 0.663076 0.921707 0.042 Uiso 1 1 calc R U . . .
C67 C -0.1273(9) 0.3913(7) 0.4749(7) 0.039(3) Uani 1 1 d . . . . .
H67A H -0.058008 0.397641 0.501939 0.059 Uiso 1 1 calc R U . . .
H67B H -0.155757 0.365293 0.413757 0.059 Uiso 1 1 calc R U . . .
H67C H -0.166857 0.354689 0.497414 0.059 Uiso 1 1 calc R U . . .
C28 C 0.3555(7) 0.7741(6) 0.6490(6) 0.026(2) Uani 1 1 d . . . . .
C39 C 0.4488(8) 0.8322(7) 0.5278(7) 0.032(3) Uani 1 1 d . . . . .
H39 H 0.464251 0.800453 0.565777 0.038 Uiso 1 1 calc R U . . .
C52 C -0.3188(9) 0.5449(8) 0.9602(8) 0.043(3) Uani 1 1 d . . . . .
H52 H -0.367432 0.553929 0.916214 0.052 Uiso 1 1 calc R U . . .
C32 C 0.1729(8) 1.0109(7) 0.4211(7) 0.033(3) Uani 1 1 d . . . . .
H32 H 0.152871 1.045791 0.388345 0.04 Uiso 1 1 calc R U . . .
C66 C -0.1295(9) 0.4753(8) 0.4920(7) 0.039(3) Uani 1 1 d . . . . .
C17 C -0.1302(9) 0.4509(7) 0.6929(7) 0.034(3) Uani 1 1 d . . . . .
H17 H -0.117109 0.509245 0.697577 0.041 Uiso 1 1 calc R U . . .
C31 C 0.1275(9) 0.9848(7) 0.4717(7) 0.037(3) Uani 1 1 d . . . . .
H31 H 0.075368 1.000008 0.47298 0.044 Uiso 1 1 calc R U . . .
C60 C -0.2541(8) 1.0786(7) 0.8016(6) 0.031(2) Uani 1 1 d . . . . .
C21 C -0.0816(7) 0.3344(6) 0.6844(6) 0.025(2) Uani 1 1 d . . . . .
C46 C 0.0273(9) 0.5784(7) 1.0942(7) 0.035(3) Uani 1 1 d . . . . .
H46 H 0.021728 0.557517 1.139057 0.042 Uiso 1 1 calc R U . . .
C49 C -0.1799(9) 0.5187(7) 1.0874(6) 0.035(3) Uani 1 1 d . . . . .
H49 H -0.131592 0.5089 1.130862 0.043 Uiso 1 1 calc R U . . .
N21 N -0.1308(9) 0.5402(7) 0.5050(7) 0.053(3) Uani 1 1 d . . . . .
C44 C 0.1271(9) 0.6377(7) 1.0263(7) 0.034(3) Uani 1 1 d . . . . .
H44 H 0.189274 0.65709 1.023717 0.041 Uiso 1 1 calc R U . . .
C37 C 0.4743(8) 0.8910(7) 0.4228(7) 0.037(3) Uani 1 1 d . . . . .
H37 H 0.50741 0.900138 0.388004 0.044 Uiso 1 1 calc R U . . .
C22 C -0.0015(8) 0.3087(7) 0.6850(6) 0.028(2) Uani 1 1 d . . . . .
O4 O 0.1038(9) 1.0295(6) 0.7000(9) 0.085(4) Uani 1 1 d . . . . .
O10 O 0.4142(8) 0.4306(6) 0.8244(6) 0.064(3) Uani 1 1 d . . . . .
C61 C -0.1476(8) 1.1051(6) 0.8208(6) 0.028(2) Uani 1 1 d . . . . .
C18 C -0.2204(9) 0.3956(8) 0.6880(8) 0.043(3) Uani 1 1 d . . . . .
H18 H -0.268194 0.417006 0.689339 0.051 Uiso 1 1 calc R U . . .
C10 C 0.6136(11) 0.8117(9) 0.8934(8) 0.046(3) Uani 1 1 d . . . . .
C56 C -0.4116(8) 0.9645(7) 0.7498(7) 0.032(3) Uani 1 1 d . . . . .
H56 H -0.451996 0.904738 0.728737 0.039 Uiso 1 1 calc R U . . .
C26 C 0.1608(9) 0.3549(7) 0.6973(7) 0.038(3) Uani 1 1 d . . . . .
H26 H 0.219756 0.399386 0.703698 0.046 Uiso 1 1 calc R U . . .
C65 C -0.0260(8) 1.0570(7) 0.8179(7) 0.032(2) Uani 1 1 d . . . . .
H65 H -0.007651 1.011508 0.805617 0.039 Uiso 1 1 calc R U . . .
C64 C 0.0462(9) 1.1400(7) 0.8513(7) 0.038(3) Uani 1 1 d . . . . .
H64 H 0.112797 1.150703 0.860702 0.046 Uiso 1 1 calc R U . . .
N4 N 0.3769(10) 0.3659(7) 0.4283(8) 0.060(3) Uani 1 1 d . . . . .
H4N H 0.373216 0.323792 0.391447 0.072 Uiso 1 1 calc R U . . .
C45 C 0.1174(9) 0.6048(7) 1.0901(7) 0.035(3) Uani 1 1 d . . . . .
H45 H 0.172976 0.600332 1.13125 0.042 Uiso 1 1 calc R U . . .
C6 C 0.3900(8) 0.4987(7) 0.5373(7) 0.033(3) Uani 1 1 d . . . . .
O11 O 0.0763(11) 0.8758(9) 0.9555(9) 0.111(5) Uani 1 1 d D . . . .
H11A H 0.070782 0.866056 0.906144 0.167 Uiso 1 1 calc R U . . .
N2 N 0.3869(10) 0.7702(9) 0.9746(7) 0.073(4) Uani 1 1 d . . . . .
H2N H 0.43836 0.7598 1.003645 0.088 Uiso 1 1 calc R U . . .
N3 N 0.3549(10) 0.7542(9) 0.8907(8) 0.073(4) Uani 1 1 d . . . . .
C2 C 0.2221(9) 0.7970(7) 0.8834(7) 0.036(3) Uani 1 1 d . . . . .
C59 C -0.2963(9) 1.1368(7) 0.8118(6) 0.034(3) Uani 1 1 d . . . . .
H59 H -0.255592 1.196576 0.83277 0.04 Uiso 1 1 calc R U . . .
C50 C -0.2743(11) 0.4972(9) 1.0815(8) 0.050(3) Uani 1 1 d . . . . .
H50 H -0.291525 0.473505 1.121164 0.06 Uiso 1 1 calc R U . . .
C19 C -0.2421(9) 0.3099(8) 0.6813(8) 0.043(3) Uani 1 1 d . . . . .
H19 H -0.303684 0.27255 0.677792 0.051 Uiso 1 1 calc R U . . .
N5 N 0.4423(10) 0.3842(8) 0.5082(8) 0.061(3) Uani 1 1 d . . . . .
C51 C -0.3445(11) 0.5109(10) 1.0163(8) 0.055(4) Uani 1 1 d . . . . .
H51 H -0.410288 0.496312 1.011204 0.065 Uiso 1 1 calc R U . . .
C62 C -0.0761(9) 1.1893(7) 0.8552(7) 0.036(3) Uani 1 1 d . . . . .
H62 H -0.094858 1.234381 0.86775 0.043 Uiso 1 1 calc R U . . .
N7 N 0.7935(11) 0.9002(10) 0.9680(9) 0.083(4) Uani 1 1 d . . . . .
C3 C 0.2717(9) 0.7654(8) 0.8448(7) 0.041(3) Uani 1 1 d . . . . .
H3 H 0.246821 0.751498 0.785217 0.049 Uiso 1 1 calc R U . . .
C9 C 0.3166(11) 0.4032(10) 0.3976(9) 0.061(4) Uani 1 1 d . . . . .
H9 H 0.270651 0.383271 0.339389 0.073 Uiso 1 1 calc R U . . .
C23 C -0.0064(9) 0.2267(7) 0.6778(7) 0.035(3) Uani 1 1 d . . . . .
H23 H -0.06573 0.181559 0.669974 0.042 Uiso 1 1 calc R U . . .
C5 C 0.3438(11) 0.8011(11) 1.0155(8) 0.061(4) Uani 1 1 d . . . . .
H5 H 0.371036 0.815737 1.075301 0.073 Uiso 1 1 calc R U . . .
C8 C 0.3221(10) 0.4721(10) 0.4522(8) 0.062(4) Uani 1 1 d . . . . .
H8 H 0.280347 0.500723 0.432093 0.074 Uiso 1 1 calc R U . . .
C20 C -0.1706(9) 0.2810(7) 0.6800(7) 0.036(3) Uani 1 1 d . . . . .
H20 H -0.183355 0.22282 0.675978 0.043 Uiso 1 1 calc R U . . .
C57 C -0.4557(10) 1.0191(8) 0.7572(7) 0.042(3) Uani 1 1 d . . . . .
H57 H -0.525875 0.997286 0.739324 0.05 Uiso 1 1 calc R U . . .
C63 C 0.0225(9) 1.2079(7) 0.8713(8) 0.041(3) Uani 1 1 d . . . . .
H63 H 0.072051 1.265124 0.895229 0.05 Uiso 1 1 calc R U . . .
C25 C 0.1583(11) 0.2742(8) 0.6922(8) 0.048(3) Uani 1 1 d . . . . .
H25 H 0.214807 0.263616 0.695767 0.058 Uiso 1 1 calc R U . . .
N6 N 0.7688(11) 0.9677(8) 0.9828(9) 0.077(4) Uani 1 1 d . . . . .
H6N H 0.81829 1.018472 1.011946 0.093 Uiso 1 1 calc R U . . .
C24 C 0.0749(10) 0.2107(7) 0.6821(8) 0.045(3) Uani 1 1 d . . . . .
H24 H 0.071913 0.154659 0.677981 0.054 Uiso 1 1 calc R U . . .
C4 C 0.2637(12) 0.8107(10) 0.9718(9) 0.062(4) Uani 1 1 d . . . . .
H4 H 0.230595 0.828239 1.001181 0.074 Uiso 1 1 calc R U . . .
C12 C 0.6013(12) 0.8866(9) 0.9141(11) 0.067(4) Uani 1 1 d . . . . .
H12 H 0.535157 0.88282 0.896713 0.081 Uiso 1 1 calc R U . . .
C11 C 0.7163(11) 0.8235(9) 0.9241(9) 0.059(4) Uani 1 1 d . . . . .
H11 H 0.730057 0.774921 0.912874 0.071 Uiso 1 1 calc R U . . .
C7 C 0.4432(10) 0.4465(8) 0.5583(8) 0.046(3) Uani 1 1 d . . . . .
H7 H 0.484658 0.459192 0.616742 0.055 Uiso 1 1 calc R U . . .
C58 C -0.3974(10) 1.1068(8) 0.7911(7) 0.044(3) Uani 1 1 d . . . . .
H58 H -0.426215 1.145366 0.799806 0.052 Uiso 1 1 calc R U . . .
C70 C -0.0114(11) 0.8767(11) 0.9541(10) 0.074(5) Uani 1 1 d D . . . .
H70A H 0.002053 0.908117 1.010427 0.111 Uiso 1 1 calc R U . . .
H70B H -0.060807 0.817913 0.937716 0.111 Uiso 1 1 calc R U . . .
H70C H -0.037777 0.90488 0.913295 0.111 Uiso 1 1 calc R U . . .
C1 C -0.1561(13) 0.7285(10) 0.5173(9) 0.071(5) Uani 1 1 d . . . . .
H1B H -0.200586 0.679059 0.466555 0.106 Uiso 1 1 calc R U . . .
H1C H -0.196224 0.7516 0.536162 0.106 Uiso 1 1 calc R U . . .
H1A H -0.111336 0.772631 0.504362 0.106 Uiso 1 1 calc R U . . .
C13 C 0.6770(14) 0.9625(12) 0.9567(14) 0.091(6) Uani 1 1 d . . . . .
H13 H 0.665291 1.01225 0.968248 0.109 Uiso 1 1 calc R U . . .
C001 C 0.6040(16) 0.7112(12) 1.0657(13) 0.030(5) Uani 0.5 1 d D U P A 1
H00A H 0.564726 0.670399 1.008662 0.045 Uiso 0.5 1 calc R U P A 1
H00B H 0.610704 0.67988 1.107325 0.045 Uiso 0.5 1 calc R U P A 1
H00C H 0.670581 0.747004 1.072806 0.045 Uiso 0.5 1 calc R U P A 1
O001 O 0.5566(18) 0.7616(17) 1.0774(16) 0.104(8) Uani 0.5 1 d D U P A 1
H01D H 0.544866 0.756914 1.119002 0.156 Uiso 0.5 1 calc R U P A 1
C005 C 0.609(3) 0.3458(18) 0.815(3) 0.089(14) Uani 0.5 1 d . . P B 1
H00D H 0.585623 0.342076 0.858677 0.133 Uiso 0.5 1 calc R U P B 1
H00E H 0.662312 0.402759 0.831692 0.133 Uiso 0.5 1 calc R U P B 1
H00F H 0.635198 0.302451 0.809073 0.133 Uiso 0.5 1 calc R U P B 1
C002 C 0.545(2) 0.3344(19) 0.7536(19) 0.052(7) Uani 0.5 1 d . U P B 1
H02G H 0.567117 0.334095 0.708359 0.062 Uiso 0.5 1 calc R U P B 1
H02H H 0.521631 0.380244 0.757865 0.062 Uiso 0.5 1 calc R U P B 1
C004 C 0.317(3) 0.149(3) 0.668(3) 0.104(13) Uani 0.5 1 d . U P B 1
H00G H 0.332637 0.104123 0.643962 0.156 Uiso 0.5 1 calc R U P B 1
H00H H 0.245947 0.135793 0.635025 0.156 Uiso 0.5 1 calc R U P B 1
H00I H 0.330616 0.151519 0.726651 0.156 Uiso 0.5 1 calc R U P B 1
C003 C 0.381(3) 0.235(3) 0.666(3) 0.096(12) Uani 0.5 1 d . U P B 1
H00J H 0.390159 0.229229 0.613704 0.116 Uiso 0.5 1 calc R U P B 1
H00K H 0.353343 0.27741 0.671615 0.116 Uiso 0.5 1 calc R U P B 1
O002 O 0.4662(13) 0.2527(12) 0.7347(12) 0.063(6) Uani 0.5 1 d . . P B 1
O008 O 0.639(2) 0.967(2) 1.1501(17) 0.159(16) Uani 0.5 1 d D . P . .
H008 H 0.610633 0.918714 1.154707 0.239 Uiso 0.5 1 calc R U P . .
C008 C 0.568(3) 0.986(2) 1.090(2) 0.093(11) Uani 0.5 1 d D U P . .
H00L H 0.537204 1.012831 1.116969 0.139 Uiso 0.5 1 calc R U P . .
H00M H 0.516473 0.932926 1.044865 0.139 Uiso 0.5 1 calc R U P . .
H00N H 0.601542 1.024955 1.06496 0.139 Uiso 0.5 1 calc R U P . .
H1 H -0.115(15) 0.644(3) 0.570(13) 0.139 Uiso 1 1 d D U . . .



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_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
Pt2 C27 1.960(11) . ?
Pt2 C28 1.982(10) . ?
Pt2 C29 2.033(9) . ?
Pt2 N14 2.053(9) . ?
Pt4 C53 1.970(10) . ?
Pt4 C54 1.981(12) . ?
Pt4 N20 2.051(10) . ?
Pt4 C55 2.053(9) . ?
Pt1 C14 1.946(10) . ?
Pt1 C15 1.986(11) . ?
Pt1 C16 2.041(10) . ?
Pt1 N11 2.048(8) . ?
Pt3 C40 1.967(11) . ?
Pt3 C41 1.983(11) . ?
Pt3 C42 2.038(9) . ?
Pt3 N17 2.051(9) . ?
Dy2 O6 2.239(7) . ?
Dy2 O7 2.256(8) . ?
Dy2 N10 2.433(9) . ?
Dy2 N13 2.437(9) . ?
Dy2 N16 2.456(9) 1_655 ?
Dy2 O8 2.460(7) . ?
Dy2 O9 2.492(7) . ?
Dy2 N19 2.498(9) 1_655 ?
Dy2 N8 2.889(9) . ?
Dy1 O5 2.290(9) . ?
Dy1 O1 2.330(9) . ?
Dy1 N12 2.401(10) . ?
Dy1 N9 2.404(9) . ?
Dy1 N18 2.415(9) . ?
Dy1 O3 2.432(9) . ?
Dy1 N15 2.442(9) . ?
Dy1 O2 2.496(8) . ?
Dy1 N1 2.869(10) . ?
O6 C6 1.278(13) . ?
N17 C48 1.369(13) . ?
N17 C52 1.370(14) . ?
O8 N8 1.268(12) . ?
O7 C10 1.245(15) . ?
O1 C1 1.408(16) . ?
N11 C26 1.342(14) . ?
N11 C22 1.377(14) . ?
O9 N8 1.273(12) . ?
N14 C39 1.373(13) . ?
N14 C35 1.373(13) . ?
O5 C2 1.257(13) . ?
N13 C28 1.155(13) . ?
C35 C36 1.391(14) . ?
C35 C34 1.477(14) . ?
N19 C54 1.146(13) . ?
O3 N1 1.275(14) . ?
N18 C53 1.154(12) . ?
C47 C42 1.396(13) . ?
C47 C46 1.404(14) . ?
C47 C48 1.442(15) . ?
O2 N1 1.268(15) . ?
C42 C43 1.370(15) . ?
C36 C37 1.358(15) . ?
N15 C40 1.151(13) . ?
C34 C29 1.388(13) . ?
C34 C33 1.390(14) . ?
C29 C30 1.365(14) . ?
N10 C15 1.159(13) . ?
C16 C17 1.384(15) . ?
C16 C21 1.402(14) . ?
N20 C65 1.346(14) . ?
N20 C61 1.380(13) . ?
N12 C27 1.151(13) . ?
C55 C56 1.348(14) . ?
C55 C60 1.375(14) . ?
C38 C39 1.355(15) . ?
C38 C37 1.373(16) . ?
C14 N9 1.147(13) . ?
N16 C41 1.157(13) . ?
C48 C49 1.406(15) . ?
N1 O4 1.233(13) . ?
C30 C31 1.401(14) . ?
N8 O10 1.225(12) . ?
C33 C32 1.363(15) . ?
C43 C44 1.391(15) . ?
C67 C66 1.460(17) . ?
C52 C51 1.358(16) . ?
C32 C31 1.389(15) . ?
C66 N21 1.127(15) . ?
C17 C18 1.398(16) . ?
C60 C59 1.407(15) . ?
C60 C61 1.475(15) . ?
C21 C20 1.374(15) . ?
C21 C22 1.470(14) . ?
C46 C45 1.378(16) . ?
C49 C50 1.372(17) . ?
C44 C45 1.386(16) . ?
C22 C23 1.385(14) . ?
C61 C62 1.392(15) . ?
C18 C19 1.390(16) . ?
C10 C12 1.394(19) . ?
C10 C11 1.437(19) . ?
C56 C57 1.366(15) . ?
C26 C25 1.379(15) . ?
C65 C64 1.380(16) . ?
C64 C63 1.387(16) . ?
N4 C9 1.324(18) . ?
N4 N5 1.331(16) . ?
C6 C8 1.395(17) . ?
C6 C7 1.426(16) . ?
O11 C70 1.384(14) . ?
N2 C5 1.335(16) . ?
N2 N3 1.345(16) . ?
N3 C3 1.363(17) . ?
C2 C3 1.400(16) . ?
C2 C4 1.418(17) . ?
C59 C58 1.386(17) . ?
C50 C51 1.395(17) . ?
C19 C20 1.384(16) . ?
N5 C7 1.293(16) . ?
C62 C63 1.387(16) . ?
N7 C11 1.342(19) . ?
N7 N6 1.372(19) . ?
C9 C8 1.39(2) . ?
C23 C24 1.378(16) . ?
C5 C4 1.298(18) . ?
C57 C58 1.391(18) . ?
C25 C24 1.342(17) . ?
N6 C13 1.32(2) . ?
C12 C13 1.32(2) . ?
C001 O001 1.365(17) . ?
C005 C002 1.12(4) . ?
C002 O002 1.44(3) . ?
C004 C003 1.52(5) . ?
C003 O002 1.35(4) . ?
O008 C008 1.416(19) . ?

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
C27 Pt2 C28 90.5(4) . . ?
C27 Pt2 C29 93.7(4) . . ?
C28 Pt2 C29 175.6(4) . . ?
C27 Pt2 N14 174.3(4) . . ?
C28 Pt2 N14 95.1(4) . . ?
C29 Pt2 N14 80.7(4) . . ?
C53 Pt4 C54 90.5(4) . . ?
C53 Pt4 N20 93.6(4) . . ?
C54 Pt4 N20 174.7(4) . . ?
C53 Pt4 C55 173.2(4) . . ?
C54 Pt4 C55 95.0(4) . . ?
N20 Pt4 C55 81.2(4) . . ?
C14 Pt1 C15 91.1(4) . . ?
C14 Pt1 C16 93.5(4) . . ?
C15 Pt1 C16 174.8(4) . . ?
C14 Pt1 N11 173.7(4) . . ?
C15 Pt1 N11 95.1(4) . . ?
C16 Pt1 N11 80.4(4) . . ?
C40 Pt3 C41 93.0(4) . . ?
C40 Pt3 C42 92.9(4) . . ?
C41 Pt3 C42 174.2(4) . . ?
C40 Pt3 N17 172.8(4) . . ?
C41 Pt3 N17 93.9(4) . . ?
C42 Pt3 N17 80.2(4) . . ?
O6 Dy2 O7 160.9(3) . . ?
O6 Dy2 N10 94.0(3) . . ?
O7 Dy2 N10 97.1(3) . . ?
O6 Dy2 N13 87.4(3) . . ?
O7 Dy2 N13 81.2(3) . . ?
N10 Dy2 N13 72.6(3) . . ?
O6 Dy2 N16 90.6(3) . 1_655 ?
O7 Dy2 N16 89.6(3) . 1_655 ?
N10 Dy2 N16 143.7(3) . 1_655 ?
N13 Dy2 N16 143.7(3) . 1_655 ?
O6 Dy2 O8 126.1(3) . . ?
O7 Dy2 O8 72.3(3) . . ?
N10 Dy2 O8 72.9(3) . . ?
N13 Dy2 O8 132.8(3) . . ?
N16 Dy2 O8 75.3(3) 1_655 . ?
O6 Dy2 O9 74.2(3) . . ?
O7 Dy2 O9 124.1(3) . . ?
N10 Dy2 O9 72.3(3) . . ?
N13 Dy2 O9 138.7(3) . . ?
N16 Dy2 O9 74.5(3) 1_655 . ?
O8 Dy2 O9 51.9(3) . . ?
O6 Dy2 N19 82.3(3) . 1_655 ?
O7 Dy2 N19 79.6(3) . 1_655 ?
N10 Dy2 N19 144.4(3) . 1_655 ?
N13 Dy2 N19 71.9(3) . 1_655 ?
N16 Dy2 N19 71.9(3) 1_655 1_655 ?
O8 Dy2 N19 136.5(3) . 1_655 ?
O9 Dy2 N19 138.4(3) . 1_655 ?
O6 Dy2 N8 100.2(3) . . ?
O7 Dy2 N8 98.1(3) . . ?
N10 Dy2 N8 70.3(3) . . ?
N13 Dy2 N8 142.5(3) . . ?
N16 Dy2 N8 73.4(3) 1_655 . ?
O8 Dy2 N8 25.9(3) . . ?
O9 Dy2 N8 26.0(3) . . ?
N19 Dy2 N8 145.2(3) 1_655 . ?
O5 Dy1 O1 155.0(3) . . ?
O5 Dy1 N12 84.8(3) . . ?
O1 Dy1 N12 90.6(3) . . ?
O5 Dy1 N9 78.8(3) . . ?
O1 Dy1 N9 76.3(3) . . ?
N12 Dy1 N9 76.1(3) . . ?
O5 Dy1 N18 115.7(3) . . ?
O1 Dy1 N18 82.8(3) . . ?
N12 Dy1 N18 140.9(3) . . ?
N9 Dy1 N18 137.8(3) . . ?
O5 Dy1 O3 74.8(3) . . ?
O1 Dy1 O3 128.2(3) . . ?
N12 Dy1 O3 78.0(3) . . ?
N9 Dy1 O3 144.3(3) . . ?
N18 Dy1 O3 76.4(3) . . ?
O5 Dy1 N15 79.7(3) . . ?
O1 Dy1 N15 91.8(3) . . ?
N12 Dy1 N15 148.0(3) . . ?
N9 Dy1 N15 73.5(3) . . ?
N18 Dy1 N15 70.9(3) . . ?
O3 Dy1 N15 123.6(3) . . ?
O5 Dy1 O2 124.7(3) . . ?
O1 Dy1 O2 76.1(3) . . ?
N12 Dy1 O2 70.7(3) . . ?
N9 Dy1 O2 136.1(3) . . ?
N18 Dy1 O2 70.3(3) . . ?
O3 Dy1 O2 52.3(3) . . ?
N15 Dy1 O2 140.5(3) . . ?
O5 Dy1 N1 99.6(4) . . ?
O1 Dy1 N1 102.2(4) . . ?
N12 Dy1 N1 71.5(3) . . ?
N9 Dy1 N1 147.6(3) . . ?
N18 Dy1 N1 72.4(3) . . ?
O3 Dy1 N1 26.2(3) . . ?
N15 Dy1 N1 138.6(3) . . ?
O2 Dy1 N1 26.2(3) . . ?
C6 O6 Dy2 148.9(7) . . ?
C48 N17 C52 119.0(9) . . ?
C48 N17 Pt3 114.3(7) . . ?
C52 N17 Pt3 126.6(8) . . ?
N8 O8 Dy2 96.3(6) . . ?
C10 O7 Dy2 144.4(8) . . ?
C1 O1 Dy1 128.5(8) . . ?
C26 N11 C22 118.4(9) . . ?
C26 N11 Pt1 126.5(8) . . ?
C22 N11 Pt1 115.2(6) . . ?
N8 O9 Dy2 94.7(6) . . ?
C39 N14 C35 119.5(9) . . ?
C39 N14 Pt2 125.8(7) . . ?
C35 N14 Pt2 114.7(7) . . ?
C2 O5 Dy1 141.3(7) . . ?
C28 N13 Dy2 171.6(9) . . ?
N14 C35 C36 119.4(10) . . ?
N14 C35 C34 114.8(9) . . ?
C36 C35 C34 125.8(10) . . ?
C54 N19 Dy2 152.8(8) . 1_455 ?
N1 O3 Dy1 96.4(8) . . ?
C53 N18 Dy1 167.6(9) . . ?
C42 C47 C46 119.6(10) . . ?
C42 C47 C48 115.1(9) . . ?
C46 C47 C48 125.3(10) . . ?
N1 O2 Dy1 93.5(7) . . ?
C43 C42 C47 118.4(9) . . ?
C43 C42 Pt3 127.3(7) . . ?
C47 C42 Pt3 114.2(7) . . ?
C37 C36 C35 120.3(11) . . ?
C40 N15 Dy1 171.0(9) . . ?
N15 C40 Pt3 177.7(10) . . ?
C29 C34 C33 120.7(9) . . ?
C29 C34 C35 115.3(9) . . ?
C33 C34 C35 124.1(9) . . ?
N19 C54 Pt4 174.6(9) . . ?
C30 C29 C34 118.2(9) . . ?
C30 C29 Pt2 127.3(7) . . ?
C34 C29 Pt2 114.5(7) . . ?
C15 N10 Dy2 170.2(8) . . ?
C17 C16 C21 118.4(10) . . ?
C17 C16 Pt1 126.9(8) . . ?
C21 C16 Pt1 114.7(7) . . ?
C65 N20 C61 118.8(10) . . ?
C65 N20 Pt4 127.0(8) . . ?
C61 N20 Pt4 114.1(7) . . ?
C27 N12 Dy1 172.3(9) . . ?
C56 C55 C60 119.0(9) . . ?
C56 C55 Pt4 127.5(8) . . ?
C60 C55 Pt4 113.2(7) . . ?
N12 C27 Pt2 178.0(10) . . ?
N10 C15 Pt1 177.6(9) . . ?
C39 C38 C37 120.3(10) . . ?
N9 C14 Pt1 178.3(9) . . ?
C41 N16 Dy2 158.5(9) . 1_455 ?
N17 C48 C49 119.8(10) . . ?
N17 C48 C47 116.0(9) . . ?
C49 C48 C47 124.2(10) . . ?
N16 C41 Pt3 177.4(9) . . ?
O4 N1 O2 121.5(14) . . ?
O4 N1 O3 120.9(15) . . ?
O2 N1 O3 117.6(10) . . ?
O4 N1 Dy1 177.2(11) . . ?
O2 N1 Dy1 60.3(5) . . ?
O3 N1 Dy1 57.4(6) . . ?
N18 C53 Pt4 175.5(9) . . ?
C29 C30 C31 122.3(10) . . ?
O10 N8 O8 122.5(10) . . ?
O10 N8 O9 120.4(11) . . ?
O8 N8 O9 117.1(8) . . ?
O10 N8 Dy2 178.5(7) . . ?
O8 N8 Dy2 57.8(5) . . ?
O9 N8 Dy2 59.3(5) . . ?
C32 C33 C34 120.2(10) . . ?
C14 N9 Dy1 172.5(9) . . ?
C42 C43 C44 122.8(10) . . ?
N13 C28 Pt2 177.1(10) . . ?
C38 C39 N14 120.8(10) . . ?
C51 C52 N17 122.0(11) . . ?
C33 C32 C31 120.6(10) . . ?
N21 C66 C67 179.7(14) . . ?
C16 C17 C18 120.0(10) . . ?
C32 C31 C30 118.0(10) . . ?
C55 C60 C59 120.0(11) . . ?
C55 C60 C61 116.7(9) . . ?
C59 C60 C61 123.3(10) . . ?
C20 C21 C16 120.8(9) . . ?
C20 C21 C22 124.7(10) . . ?
C16 C21 C22 114.5(9) . . ?
C45 C46 C47 120.5(10) . . ?
C50 C49 C48 120.4(10) . . ?
C45 C44 C43 118.4(11) . . ?
C36 C37 C38 119.8(11) . . ?
N11 C22 C23 119.8(10) . . ?
N11 C22 C21 115.2(9) . . ?
C23 C22 C21 125.0(10) . . ?
N20 C61 C62 120.5(10) . . ?
N20 C61 C60 114.8(9) . . ?
C62 C61 C60 124.7(10) . . ?
C19 C18 C17 121.6(11) . . ?
O7 C10 C12 123.6(13) . . ?
O7 C10 C11 122.2(12) . . ?
C12 C10 C11 114.2(13) . . ?
C55 C56 C57 122.7(11) . . ?
N11 C26 C25 122.7(11) . . ?
N20 C65 C64 121.8(10) . . ?
C65 C64 C63 120.7(11) . . ?
C9 N4 N5 127.9(12) . . ?
C46 C45 C44 120.2(10) . . ?
O6 C6 C8 124.7(11) . . ?
O6 C6 C7 121.4(11) . . ?
C8 C6 C7 113.9(12) . . ?
C5 N2 N3 122.7(12) . . ?
N2 N3 C3 118.8(12) . . ?
O5 C2 C3 127.5(11) . . ?
O5 C2 C4 119.0(11) . . ?
C3 C2 C4 113.5(11) . . ?
C58 C59 C60 119.8(11) . . ?
C49 C50 C51 118.8(11) . . ?
C20 C19 C18 117.6(11) . . ?
C7 N5 N4 112.3(12) . . ?
C52 C51 C50 120.0(12) . . ?
C63 C62 C61 120.6(10) . . ?
C11 N7 N6 115.8(14) . . ?
N3 C3 C2 121.6(11) . . ?
N4 C9 C8 118.6(13) . . ?
C24 C23 C22 119.9(11) . . ?
C4 C5 N2 118.5(12) . . ?
C9 C8 C6 118.7(14) . . ?
C21 C20 C19 121.6(10) . . ?
C56 C57 C58 119.7(12) . . ?
C64 C63 C62 117.6(11) . . ?
C24 C25 C26 119.0(12) . . ?
C13 N6 N7 125.2(15) . . ?
C25 C24 C23 120.2(11) . . ?
C5 C4 C2 124.7(13) . . ?
C13 C12 C10 123.4(16) . . ?
N7 C11 C10 122.8(14) . . ?
N5 C7 C6 128.4(12) . . ?
C59 C58 C57 118.7(11) . . ?
N6 C13 C12 118.5(17) . . ?
C005 C002 O002 108(3) . . ?
O002 C003 C004 99(3) . . ?
C003 O002 C002 114(3) . . ?



# END of CIF
####################################################################### 
# 
# 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_shelx_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 2287741'
loop_
_audit_author_name
_audit_author_address
'Szymon Chorazy'
;Faculty of Chemistry, Jagiellonian University
Poland
;
_audit_update_record             
;
2024-05-01 deposited with the CCDC.	2024-09-25 downloaded from the CCDC.
;

_audit_creation_date             2024-03-15T15:11:19-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.5
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_formula_moiety         'C157 H120 Dy4 N37 O23 Pt8'
_chemical_formula_sum            'C157 H120 Dy4 N37 O23 Pt8'
_chemical_formula_weight         5103.61

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/n'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   16.0526(9)
_cell_length_b                   19.3915(10)
_cell_length_c                   27.7623(15)
_cell_angle_alpha                90
_cell_angle_beta                 95.115(2)
_cell_angle_gamma                90
_cell_volume                     8607.5(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    71781
_cell_measurement_theta_min      2.287
_cell_measurement_theta_max      25.027
_cell_measurement_wavelength     0.71073

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       block
_exptl_crystal_colour            green
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.03
_exptl_crystal_density_diffrn    1.969
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4786

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    8.257
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5850
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_probe          x-ray
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'D8Quest Eco Photon50'
_diffrn_measurement_method       ω
_diffrn_standards_number         0
_diffrn_standards_interval_time  0
_diffrn_standards_interval_count 0
_diffrn_standards_decay_%        0
_diffrn_reflns_av_R_equivalents  0.0801
_diffrn_reflns_av_unetI/netI     0.0693
_diffrn_reflns_number            71733
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         2.287
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_full        25.027
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_reflns_Friedel_coverage         0
_reflns_number_total             15143
_reflns_number_gt                12032
_reflns_threshold_expression     'I > 2σ(I)'

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       'APEX4 (Bruker, 2021)'
_computing_cell_refinement       'SAINT (Bruker, 2021)'
_computing_data_reduction        'SAINT (Bruker, 2021)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION                                       #
#----------------------------------------------------------------------------#

_atom_sites_solution_hydrogens   geom

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_shelx_SHELXL_version_number     2018/3
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+2416.3950P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         15143
_refine_ls_number_parameters     1072
_refine_ls_number_restraints     521
_refine_ls_number_constraints    0
_refine_ls_R_factor_all          0.1466
_refine_ls_R_factor_gt           0.1245
_refine_ls_wR_factor_ref         0.2923
_refine_ls_wR_factor_gt          0.2834
_refine_ls_goodness_of_fit_ref   1.198
_refine_ls_restrained_S_all      1.178
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_diff_density_max         8.305
_refine_diff_density_min         -4.444
_refine_diff_density_rms         0.527

# start Validation Reply Form 
_vrf_PLAT971_shelx               
;
RESPONSE: Large calculated positive residual densities are due to the intrinsic 
crystals' twinning combined with the presence of heavy atoms in the crystal 
structure (Dy, Pt). To obtain single crystal X-ray diffraction data for this 
compound, several crystalline objects were tested, however, for all of them, the 
set of additional peaks present close to the positions occupied by Dy and Pt 
atoms is noticed. It was found impossible to describe such twinning using a 
standard TWIN procedure given by the APEX4 system with a proper transformation 
matrix between components. Although large positive residual densities can 
be described by the insertion of additional Dy and Pt atoms with small 
occupancies (<0.01), but this yields a chemically unreliable 
structural model and a rather unstable refinement procedure.
;
_vrf_PLAT972_shelx               
;
RESPONSE: Large calculated negative residual densities are due to the intrinsic 
crystals' twinning combined with the presence of heavy atoms in the crystal 
structure (Dy, Pt). To obtain single crystal X-ray diffraction data for this 
compound, several crystalline objects were tested, however, for all of them, the 
set of negative peaks is noticed. It was found impossible to describe such 
twinning using a standard TWIN procedure given by the APEX4 system with 
a proper transformation matrix between components, while decreasing partial 
occupancies of atoms yields a chemically unreliable structural model with
a rather unstable refinement procedure.
;
_vrf_PLAT097_shelx               
;
RESPONSE: Large calculated positive residual densities are due to the intrinsic 
crystals' twinning combined with the presence of heavy atoms in the crystal 
structure (Dy, Pt). To obtain single crystal X-ray diffraction data for this 
compound, several crystalline objects were tested, however, for all of them, the 
set of additional peaks present close to the positions occupied by Dy and Pt 
atoms is noticed. It was found impossible to describe such twinning using a 
standard TWIN procedure given by the APEX4 system with a proper transformation 
matrix between components. Although large positive residual densities can 
be described by the insertion of additional Dy and Pt atoms with small 
occupancies (<0.01), but this yields a chemically unreliable 
structural model and a rather unstable refinement procedure.
;
_vrf_PLAT220_shelx               
;
RESPONSE: The presence of this alert is due to large discrepancies within Ueq 
values for non-solvent atoms. This is due to large crystals' twinning, which 
cannot be solved using a standard TWIN procedure given by the APEX4 system with
a proper transformation matrix between components. As a result the calculated 
atoms close to large residual densities tend to have elongated or decreased
ellipsoids, respectively, to reduce their initial values in an LS procedure. 
to 
;
_vrf_PLAT342_shelx               
;
RESPONSE: Low Bond Precision on C-C Bonds also originate from the large 
crystals' twinning, which cannot be solved using a standard TWIN procedure 
given by the APEX4 system with a proper transformation matrix between components. 
;
_vrf_PLAT910_shelx               
;
RESPONSE: Missing reflections below Theta(Min) correspond to hkl values for 
reflections that the intensity is strongly affected by the X-ray beam.   
;
# end Validation Reply Form

#----------------------------------------------------------------------------#
#                   CONSTRAINTS AND RESTRAINTS                               #
#----------------------------------------------------------------------------#


#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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 0 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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
Pt1 Pt 0.73137(8) 0.37654(7) 0.14354(5) 0.0152(3) Uani 1 1 d . . . . .
Pt4 Pt 0.26486(8) 0.37773(7) 0.35442(4) 0.0144(3) Uani 1 1 d . . . . .
Pt3 Pt 0.10573(7) 0.50155(7) 0.13064(4) 0.0166(3) Uani 1 1 d . . . . .
Pt2 Pt 0.64345(8) 0.50386(7) 0.37195(4) 0.0172(3) Uani 1 1 d . . . . .
Dy2 Dy 0.93924(9) 0.45035(8) 0.29446(5) 0.0138(3) Uani 1 1 d . . . . .
Dy1 Dy 0.42716(9) 0.45125(8) 0.20747(5) 0.0130(3) Uani 1 1 d . . . . .
O7 O 0.9508(11) 0.3762(10) 0.3636(6) 0.004(4) Uani 1 1 d . U . . .
N17 N 0.3495(17) 0.4648(14) 0.2796(11) 0.019(6) Uani 1 1 d . . . . .
N8 N 0.8388(15) 0.4607(13) 0.2210(9) 0.009(5) Uani 1 1 d . U . . .
O6 O 0.9592(16) 0.4902(14) 0.3807(9) 0.030(6) Uani 1 1 d . U . . .
O2 O 0.4147(12) 0.3758(11) 0.1371(7) 0.012(4) Uani 1 1 d . U . . .
O4 O 0.4338(14) 0.3444(12) 0.2369(9) 0.022(5) Uani 1 1 d . U . . .
O10 O 0.936(2) 0.5719(19) 0.2981(13) 0.055(9) Uani 1 1 d . U . . .
C51 C 0.2152(19) 0.4660(16) 0.1637(11) 0.013(6) Uani 1 1 d . U . . .
N10 N 0.5295(17) 0.4768(13) 0.2770(11) 0.019(6) Uani 1 1 d . . . . .
O1 O 0.4158(14) 0.4911(13) 0.1238(8) 0.021(5) Uani 1 1 d . U . . .
N12 N 0.7125(18) 0.5238(15) 0.4376(11) 0.022(7) Uani 1 1 d . . . . .
C39 C 0.7417(19) 0.4705(17) 0.3385(11) 0.014(7) Uani 1 1 d . U . . .
C53 C 0.001(2) 0.5412(17) 0.0954(11) 0.016(7) Uani 1 1 d . U . . .
C52 C 0.052(2) 0.4854(17) 0.1892(12) 0.017(7) Uani 1 1 d . U . . .
C38 C 0.5692(17) 0.4869(15) 0.3119(10) 0.009(6) Uani 1 1 d . U . . .
C40 C 0.5503(19) 0.5382(16) 0.4107(11) 0.014(7) Uani 1 1 d . U . . .
C41 C 0.467(2) 0.5464(18) 0.3931(12) 0.018(7) Uani 1 1 d . U . . .
H41 H 0.447465 0.53382 0.360876 0.022 Uiso 1 1 calc R U . . .
N14 N 1.090(2) 0.4368(17) 0.3191(16) 0.043(10) Uani 1 1 d . . . . .
C65 C 0.1530(19) 0.4140(18) 0.3325(13) 0.019(7) Uani 1 1 d . . . . .
N11 N 0.7999(18) 0.4520(16) 0.3222(11) 0.025(7) Uani 1 1 d . U . . .
N7 N 0.5659(19) 0.4365(17) 0.1818(11) 0.028(7) Uani 1 1 d . U . . .
O9 O 0.9357(15) 0.3422(12) 0.2661(9) 0.023(5) Uani 1 1 d . U . . .
N5 N 0.8468(18) 0.1455(16) 0.2736(11) 0.023(7) Uani 1 1 d . U . . .
N2 N 0.3371(18) 0.1502(16) 0.2357(11) 0.023(7) Uani 1 1 d . U . . .
O5 O 0.4171(18) 0.5709(15) 0.2024(10) 0.036(7) Uani 1 1 d . U . . .
N13 N 0.2768(18) 0.4484(17) 0.1791(11) 0.026(7) Uani 1 1 d . U . . .
C64 C 0.317(2) 0.4371(17) 0.3098(11) 0.016(7) Uani 1 1 d . . . . .
N18 N 1.0185(17) 0.4743(15) 0.2245(11) 0.021(7) Uani 1 1 d . . . . .
C25 C 0.626(2) 0.4165(18) 0.1661(12) 0.021(7) Uani 1 1 d . U . . .
C26 C 0.798(2) 0.436(2) 0.1908(13) 0.027(8) Uani 1 1 d . U . . .
C66 C 0.3757(19) 0.3349(16) 0.3817(11) 0.014(6) Uani 1 1 d . U . . .
N19 N 0.2213(19) 0.3040(15) 0.3987(11) 0.023(7) Uani 1 1 d . . . . .
C45 C 0.5791(19) 0.5585(17) 0.4565(11) 0.014(7) Uani 1 1 d . U . . .
C32 C 0.812(2) 0.2746(17) 0.0862(13) 0.020(7) Uani 1 1 d . U . . .
N3 N 0.3724(17) 0.7527(15) 0.2642(12) 0.025(7) Uani 1 1 d . . . . .
C4 C 0.301(3) 0.076(2) 0.2294(18) 0.048(12) Uani 1 1 d . U . . .
H4A H 0.271111 0.071193 0.197301 0.073 Uiso 1 1 calc R U . . .
H4B H 0.347618 0.042455 0.232527 0.073 Uiso 1 1 calc R U . . .
H4C H 0.263304 0.066582 0.254277 0.073 Uiso 1 1 calc R U . . .
N9 N 0.6723(19) 0.3061(16) 0.0965(11) 0.025(7) Uani 1 1 d . U . . .
C19 C 0.914(2) 0.6238(18) 0.2769(12) 0.019(7) Uani 1 1 d . U . . .
C44 C 0.523(2) 0.5855(18) 0.4887(13) 0.023(8) Uani 1 1 d . U . . .
H44 H 0.542819 0.60145 0.520039 0.028 Uiso 1 1 calc R U . . .
C54 C -0.075(2) 0.5525(18) 0.1127(12) 0.019(7) Uani 1 1 d . U . . .
H54 H -0.083713 0.538839 0.144757 0.023 Uiso 1 1 calc R U . . .
N4 N 0.9654(18) 0.4248(16) 0.3974(11) 0.023(6) Uani 1 1 d . U . . .
O8 O 0.982(2) 0.4135(18) 0.4428(12) 0.055(9) Uani 1 1 d . U . . .
N6 N 0.8710(19) 0.7510(17) 0.2382(11) 0.026(7) Uani 1 1 d . U . . .
O3 O 0.418(3) 0.415(2) 0.0601(11) 0.073(13) Uani 1 1 d . . . . .
C58 C 0.015(2) 0.5618(17) 0.0476(11) 0.015(7) Uani 1 1 d . U . . .
C47 C 0.707(2) 0.5603(19) 0.5188(13) 0.026(8) Uani 1 1 d . U . . .
H47 H 0.675054 0.575316 0.544161 0.031 Uiso 1 1 calc R U . . .
C72 C 0.280(2) 0.259(2) 0.4202(13) 0.026(8) Uani 1 1 d . U . . .
C68 C 0.523(2) 0.3224(19) 0.3950(13) 0.026(8) Uani 1 1 d . U . . .
H68 H 0.576813 0.337262 0.387035 0.031 Uiso 1 1 calc R U . . .
C59 C 0.098(3) 0.554(2) 0.0305(13) 0.035(10) Uani 1 1 d . . . . .
C31 C 0.877(2) 0.237(2) 0.0648(14) 0.028(8) Uani 1 1 d . U . . .
H31 H 0.864045 0.200402 0.043006 0.033 Uiso 1 1 calc R U . . .
C49 C 0.834(2) 0.528(2) 0.4898(14) 0.030(9) Uani 1 1 d . . . . .
H49 H 0.892439 0.520296 0.495464 0.036 Uiso 1 1 calc R U . . .
N15 N 0.1530(18) 0.5250(16) 0.0669(10) 0.025(7) Uani 1 1 d . . . . .
N1 N 0.418(2) 0.4219(18) 0.1042(12) 0.031(7) Uani 1 1 d . U . . .
C63 C 0.233(2) 0.5107(18) 0.0557(12) 0.019(7) Uani 1 1 d . U . . .
H63 H 0.271892 0.490208 0.079375 0.023 Uiso 1 1 calc R U . . .
C60 C 0.120(2) 0.5691(19) -0.0147(13) 0.026(8) Uani 1 1 d . U . . .
H60 H 0.081303 0.588366 -0.039027 0.031 Uiso 1 1 calc R U . . .
C67 C 0.453(2) 0.3538(19) 0.3745(12) 0.021(8) Uani 1 1 d . U . . .
H67 H 0.459764 0.39185 0.35357 0.026 Uiso 1 1 calc R U . . .
C33 C 0.722(2) 0.2606(19) 0.0778(15) 0.028(9) Uani 1 1 d . . . . .
C71 C 0.365(2) 0.2780(18) 0.4112(12) 0.019(7) Uani 1 1 d . . . . .
C55 C -0.141(2) 0.584(2) 0.0840(15) 0.038(10) Uani 1 1 d . . . . .
H55 H -0.193956 0.589015 0.09682 0.045 Uiso 1 1 calc R U . . .
C1 C 0.403(2) 0.281(2) 0.2351(14) 0.029(9) Uani 1 1 d . U . . .
C7 C 0.407(2) 0.6210(19) 0.2252(12) 0.021(7) Uani 1 1 d . U . . .
C50 C 0.798(2) 0.5173(18) 0.4463(13) 0.023(8) Uani 1 1 d . U . . .
H50 H 0.830281 0.505105 0.420738 0.028 Uiso 1 1 calc R U . . .
C28 C 0.910(2) 0.351(2) 0.1290(14) 0.028(9) Uani 1 1 d . U . . .
H28 H 0.921446 0.390803 0.148536 0.034 Uiso 1 1 calc R U . . .
C61 C 0.202(3) 0.554(2) -0.0227(15) 0.035(9) Uani 1 1 d . U . . .
H61 H 0.219908 0.564734 -0.053649 0.043 Uiso 1 1 calc R U . . .
C34 C 0.689(3) 0.203(3) 0.0491(18) 0.050(12) Uani 1 1 d . U . . .
H34 H 0.724884 0.169608 0.036966 0.06 Uiso 1 1 calc R U . . .
C76 C 0.138(2) 0.292(2) 0.4025(13) 0.026(8) Uani 1 1 d . U . . .
H76 H 0.09688 0.320414 0.386412 0.032 Uiso 1 1 calc R U . . .
C37 C 0.587(2) 0.302(2) 0.0869(14) 0.028(8) Uani 1 1 d . U . . .
H37 H 0.551128 0.336046 0.098228 0.034 Uiso 1 1 calc R U . . .
C13 C 0.908(2) 0.2813(19) 0.2707(13) 0.023(8) Uani 1 1 d . U . . .
C62 C 0.258(2) 0.526(2) 0.0099(15) 0.035(10) Uani 1 1 d . . . . .
H62 H 0.313838 0.516413 0.002263 0.042 Uiso 1 1 calc R U . . .
C29 C 0.980(2) 0.313(2) 0.1083(14) 0.030(9) Uani 1 1 d . . . . .
H29 H 1.036715 0.326442 0.116123 0.037 Uiso 1 1 calc R U . . .
C69 C 0.517(3) 0.269(2) 0.4273(16) 0.040(11) Uani 1 1 d . . . . .
H69 H 0.564794 0.249374 0.444618 0.048 Uiso 1 1 calc R U . . .
C3 C 0.318(3) 0.194(2) 0.2001(16) 0.036(10) Uani 1 1 d . U . . .
H3 H 0.27582 0.181088 0.175693 0.044 Uiso 1 1 calc R U . . .
C73 C 0.250(3) 0.204(2) 0.4460(16) 0.040(10) Uani 1 1 d . U . . .
H73 H 0.291419 0.1734 0.460886 0.049 Uiso 1 1 calc R U . . .
C12 C 0.439(3) 0.642(3) 0.2685(18) 0.052(13) Uani 1 1 d . U . . .
H02J H 0.478361 0.612465 0.285586 0.062 Uiso 1 1 calc R U . . .
C42 C 0.409(3) 0.575(2) 0.4259(14) 0.031(9) Uani 1 1 d . U . . .
H42 H 0.352997 0.584757 0.414696 0.038 Uiso 1 1 calc R U . . .
C18 C 0.929(4) 0.239(3) 0.309(2) 0.076(18) Uani 1 1 d . U . . .
H18 H 0.960587 0.256908 0.336374 0.091 Uiso 1 1 calc R U . . .
C70 C 0.436(3) 0.246(2) 0.4329(16) 0.035(9) Uani 1 1 d . . . . .
H70 H 0.429047 0.206972 0.452587 0.042 Uiso 1 1 calc R U . . .
C6 C 0.415(3) 0.237(3) 0.2750(15) 0.053(14) Uani 1 1 d . . . . .
H6 H 0.44795 0.251944 0.303071 0.064 Uiso 1 1 calc R U . . .
C48 C 0.791(3) 0.550(2) 0.5275(16) 0.040(10) Uani 1 1 d . U . . .
H48 H 0.818663 0.557126 0.558707 0.048 Uiso 1 1 calc R U . . .
C11 C 0.418(3) 0.703(3) 0.2910(19) 0.052(13) Uani 1 1 d . U . . .
H02Q H 0.43539 0.71053 0.324242 0.063 Uiso 1 1 calc R U . . .
C43 C 0.438(2) 0.588(2) 0.4729(14) 0.031(9) Uani 1 1 d . U . . .
H43 H 0.398756 0.598404 0.495507 0.038 Uiso 1 1 calc R U . . .
C35 C 0.603(3) 0.199(3) 0.0400(16) 0.048(12) Uani 1 1 d . . . . .
H35 H 0.579549 0.162641 0.020029 0.057 Uiso 1 1 calc R U . . .
C56 C -0.132(3) 0.606(2) 0.0389(15) 0.034(9) Uani 1 1 d . U . . .
H56 H -0.177048 0.628247 0.020526 0.041 Uiso 1 1 calc R U . . .
C20 C 0.893(3) 0.6328(19) 0.2279(13) 0.033(10) Uani 1 1 d . . . . .
H20 H 0.89297 0.594236 0.206786 0.04 Uiso 1 1 calc R U . . .
C21 C 0.874(3) 0.692(3) 0.2108(18) 0.058(15) Uani 1 1 d . . . . .
H21 H 0.860712 0.696146 0.176833 0.069 Uiso 1 1 calc R U . . .
C36 C 0.555(3) 0.244(2) 0.0585(16) 0.042(11) Uani 1 1 d . U . . .
H36 H 0.495992 0.237683 0.053237 0.051 Uiso 1 1 calc R U . . .
C5 C 0.382(4) 0.174(3) 0.275(2) 0.065(15) Uani 1 1 d . U . . .
H5 H 0.389699 0.146327 0.303119 0.078 Uiso 1 1 calc R U . . .
C75 C 0.115(3) 0.236(3) 0.4301(19) 0.056(13) Uani 1 1 d . U . . .
H75 H 0.057991 0.228775 0.434547 0.067 Uiso 1 1 calc R U . . .
C46 C 0.669(3) 0.549(2) 0.4739(15) 0.036(9) Uani 1 1 d . U . . .
C22 C 0.847(3) 0.822(2) 0.2195(18) 0.050(13) Uani 1 1 d . . . . .
H22B H 0.839904 0.821607 0.184033 0.074 Uiso 1 1 calc R U . . .
H22C H 0.794297 0.836357 0.23195 0.074 Uiso 1 1 calc R U . . .
H22A H 0.89105 0.855235 0.230299 0.074 Uiso 1 1 calc R U . . .
C57 C -0.054(3) 0.596(2) 0.0189(17) 0.041(10) Uani 1 1 d . U . . .
H57 H -0.046604 0.611328 -0.012927 0.049 Uiso 1 1 calc R U . . .
C8 C 0.357(4) 0.670(3) 0.201(2) 0.072(13) Uani 1 1 d . U . . .
H8 H 0.331069 0.658253 0.170277 0.086 Uiso 1 1 calc R U . . .
C9 C 0.341(4) 0.735(3) 0.219(2) 0.068(13) Uani 1 1 d . U . . .
H9 H 0.307879 0.767556 0.199314 0.082 Uiso 1 1 calc R U . . .
C16 C 0.817(3) 0.069(2) 0.2780(18) 0.048(12) Uani 1 1 d . U . . .
H16A H 0.77649 0.05832 0.250806 0.072 Uiso 1 1 calc R U . . .
H16C H 0.865665 0.038506 0.277625 0.072 Uiso 1 1 calc R U . . .
H16B H 0.791633 0.063504 0.308452 0.072 Uiso 1 1 calc R U . . .
C14 C 0.853(4) 0.249(3) 0.233(2) 0.066(15) Uani 1 1 d . U . . .
H14 H 0.832931 0.275578 0.205407 0.08 Uiso 1 1 calc R U . . .
C15 C 0.831(4) 0.181(3) 0.235(3) 0.078(19) Uani 1 1 d . . . . .
H15 H 0.802603 0.160009 0.206799 0.094 Uiso 1 1 calc R U . . .
C81 C 0.799(8) 0.285(8) 0.434(5) 0.11(5) Uani 0.5 1 d D U P . .
C10 C 0.353(3) 0.821(2) 0.2812(17) 0.042(11) Uani 1 1 d . U . . .
H10C H 0.320247 0.845654 0.25546 0.063 Uiso 1 1 calc R U . . .
H10B H 0.320973 0.816533 0.309432 0.063 Uiso 1 1 calc R U . . .
H10A H 0.405289 0.845558 0.290243 0.063 Uiso 1 1 calc R U . . .
C27 C 0.8325(19) 0.3287(16) 0.1196(11) 0.012(6) Uani 1 1 d . U . . .
C30 C 0.961(3) 0.259(2) 0.0777(18) 0.046(12) Uani 1 1 d . . . . .
H30 H 1.004981 0.234105 0.064785 0.055 Uiso 1 1 calc R U . . .
C17 C 0.903(3) 0.167(3) 0.309(2) 0.057(13) Uani 1 1 d . U . . .
H17 H 0.925862 0.136047 0.333225 0.068 Uiso 1 1 calc R U . . .
C24 C 0.914(3) 0.688(3) 0.3051(18) 0.046(11) Uani 1 1 d . U . . .
H24 H 0.935148 0.688869 0.338031 0.055 Uiso 1 1 calc R U . . .
C74 C 0.176(3) 0.190(3) 0.4517(19) 0.061(15) Uani 1 1 d . . . . .
H74 H 0.160991 0.150241 0.469467 0.073 Uiso 1 1 calc R U . . .
C2 C 0.354(4) 0.254(3) 0.196(2) 0.066(15) Uani 1 1 d . U . . .
H2 H 0.346867 0.279275 0.166604 0.079 Uiso 1 1 calc R U . . .
C23 C 0.883(4) 0.742(4) 0.284(2) 0.075(17) Uani 1 1 d . U . . .
H23 H 0.867668 0.779308 0.303477 0.09 Uiso 1 1 calc R U . . .
O11 O 0.591(4) 0.564(4) 0.067(3) 0.058(15) Uani 0.5 1 d D U P . .
O12 O 1.179(4) 0.247(3) 0.103(2) 0.042(14) Uani 0.5 1 d D U P . .
N20 N 1.085(5) 0.594(5) 0.413(3) 0.06(2) Uani 0.5 1 d D U P . .
C80 C 1.204(6) 0.304(4) 0.077(3) 0.05(2) Uani 0.5 1 d D U P . .
C77 C 1.151(6) 0.619(6) 0.418(4) 0.08(4) Uani 0.5 1 d D U P . .
C78 C 1.220(7) 0.662(7) 0.413(6) 0.11(5) Uani 0.5 1 d D U P . .
O13 O 0.733(5) 0.255(4) 0.406(3) 0.07(2) Uani 0.5 1 d D U P . .
C79 C 0.526(5) 0.595(5) 0.089(4) 0.055(16) Uani 0.5 1 d D U P . .



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_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
Pt1 C26 1.98(4) . ?
Pt1 C25 2.01(3) . ?
Pt1 C27 2.03(3) . ?
Pt1 N9 2.06(3) . ?
Pt4 C64 1.94(3) . ?
Pt4 C65 1.97(3) . ?
Pt4 C66 2.05(3) . ?
Pt4 N19 2.05(3) . ?
Pt3 C52 1.93(3) . ?
Pt3 C53 2.02(3) . ?
Pt3 C51 2.03(3) . ?
Pt3 N15 2.04(3) . ?
Pt2 C38 1.99(3) . ?
Pt2 C39 2.01(3) . ?
Pt2 C40 2.03(3) . ?
Pt2 N12 2.08(3) . ?
Dy2 O9 2.24(2) . ?
Dy2 O10 2.36(4) . ?
Dy2 O7 2.392(18) . ?
Dy2 N11 2.43(3) . ?
Dy2 N18 2.46(3) . ?
Dy2 N14 2.46(3) . ?
Dy2 N8 2.49(2) . ?
Dy2 O6 2.51(3) . ?
Dy2 N4 2.89(3) . ?
Dy1 O4 2.23(2) . ?
Dy1 O5 2.33(3) . ?
Dy1 N7 2.42(3) . ?
Dy1 O1 2.44(2) . ?
Dy1 O2 2.43(2) . ?
Dy1 N17 2.46(3) . ?
Dy1 N13 2.47(3) . ?
Dy1 N10 2.47(3) . ?
Dy1 N1 2.91(3) . ?
O7 N4 1.34(3) . ?
N17 C64 1.16(4) . ?
N8 C26 1.13(4) . ?
O6 N4 1.35(4) . ?
O2 N1 1.28(4) . ?
O4 C1 1.32(5) . ?
O10 C19 1.21(5) . ?
C51 N13 1.10(4) . ?
N10 C38 1.13(4) . ?
O1 N1 1.45(4) . ?
N12 C46 1.37(5) . ?
N12 C50 1.37(4) . ?
C39 N11 1.13(4) . ?
C53 C54 1.38(5) . ?
C53 C58 1.42(4) . ?
C52 N18 1.18(4) 1_455 ?
C40 C45 1.37(4) . ?
C40 C41 1.40(4) . ?
C41 C42 1.46(5) . ?
N14 C65 1.14(5) 1_655 ?
N7 C25 1.16(4) . ?
O9 C13 1.27(4) . ?
N5 C17 1.34(6) . ?
N5 C15 1.29(7) . ?
N5 C16 1.56(6) . ?
N2 C5 1.33(6) . ?
N2 C3 1.32(5) . ?
N2 C4 1.56(6) . ?
O5 C7 1.18(4) . ?
C66 C67 1.33(5) . ?
C66 C71 1.39(4) . ?
N19 C76 1.37(5) . ?
N19 C72 1.38(5) . ?
C45 C44 1.42(5) . ?
C45 C46 1.49(5) . ?
C32 C27 1.42(5) . ?
C32 C31 1.44(5) . ?
C32 C33 1.47(5) . ?
N3 C11 1.39(6) . ?
N3 C9 1.36(7) . ?
N3 C10 1.44(5) . ?
N9 C33 1.32(5) . ?
N9 C37 1.37(5) . ?
C19 C20 1.38(5) . ?
C19 C24 1.47(6) . ?
C44 C43 1.40(5) . ?
C54 C55 1.40(5) . ?
N4 O8 1.28(4) . ?
N6 C23 1.27(7) . ?
N6 C21 1.37(6) . ?
N6 C22 1.52(5) . ?
O3 N1 1.23(4) . ?
C58 C59 1.45(5) . ?
C58 C57 1.46(5) . ?
C47 C46 1.35(5) . ?
C47 C48 1.36(6) . ?
C72 C73 1.39(6) . ?
C72 C71 1.47(5) . ?
C68 C69 1.38(6) . ?
C68 C67 1.36(5) . ?
C59 C60 1.36(5) . ?
C59 N15 1.40(5) . ?
C31 C30 1.43(6) . ?
C49 C50 1.31(5) . ?
C49 C48 1.37(5) . ?
N15 C63 1.38(4) . ?
C63 C62 1.40(5) . ?
C60 C61 1.39(5) . ?
C33 C34 1.44(6) . ?
C71 C70 1.38(5) . ?
C55 C56 1.35(6) . ?
C1 C2 1.38(7) . ?
C1 C6 1.41(6) . ?
C7 C12 1.32(6) . ?
C7 C8 1.38(7) . ?
C28 C27 1.32(5) . ?
C28 C29 1.50(5) . ?
C61 C62 1.34(6) . ?
C34 C35 1.38(7) . ?
C76 C75 1.39(6) . ?
C37 C36 1.45(6) . ?
C13 C18 1.36(7) . ?
C13 C14 1.45(7) . ?
C29 C30 1.37(6) . ?
C69 C70 1.40(6) . ?
C3 C2 1.32(7) . ?
C73 C74 1.25(6) . ?
C12 C11 1.39(7) . ?
C42 C43 1.37(5) . ?
C18 C17 1.45(8) . ?
C6 C5 1.32(8) . ?
C35 C36 1.30(6) . ?
C56 C57 1.43(6) . ?
C20 C21 1.27(6) . ?
C75 C74 1.42(7) . ?
C8 C9 1.39(8) . ?
C14 C15 1.36(8) . ?
C81 O13 1.374(15) . ?
C24 C23 1.29(8) . ?
O11 C79 1.40(2) . ?
O12 C80 1.39(2) . ?
N20 C77 1.16(2) . ?
C77 C78 1.41(2) . ?

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
C26 Pt1 C25 89.3(15) . . ?
C26 Pt1 C27 94.7(14) . . ?
C25 Pt1 C27 175.2(13) . . ?
C26 Pt1 N9 173.3(14) . . ?
C25 Pt1 N9 95.8(13) . . ?
C27 Pt1 N9 80.0(12) . . ?
C64 Pt4 C65 91.5(13) . . ?
C64 Pt4 C66 93.7(13) . . ?
C65 Pt4 C66 174.8(13) . . ?
C64 Pt4 N19 171.5(12) . . ?
C65 Pt4 N19 94.8(13) . . ?
C66 Pt4 N19 80.0(12) . . ?
C52 Pt3 C53 93.3(13) . . ?
C52 Pt3 C51 89.9(13) . . ?
C53 Pt3 C51 176.2(13) . . ?
C52 Pt3 N15 174.4(13) . . ?
C53 Pt3 N15 81.4(13) . . ?
C51 Pt3 N15 95.4(12) . . ?
C38 Pt2 C39 89.7(11) . . ?
C38 Pt2 C40 94.8(12) . . ?
C39 Pt2 C40 175.5(12) . . ?
C38 Pt2 N12 175.3(11) . . ?
C39 Pt2 N12 94.9(12) . . ?
C40 Pt2 N12 80.6(12) . . ?
O9 Dy2 O10 161.9(11) . . ?
O9 Dy2 O7 73.5(8) . . ?
O10 Dy2 O7 124.5(10) . . ?
O9 Dy2 N11 97.4(10) . . ?
O10 Dy2 N11 87.2(11) . . ?
O7 Dy2 N11 76.2(9) . . ?
O9 Dy2 N18 84.2(9) . . ?
O10 Dy2 N18 81.9(11) . . ?
O7 Dy2 N18 137.6(8) . . ?
N11 Dy2 N18 143.5(10) . . ?
O9 Dy2 N14 89.5(10) . . ?
O10 Dy2 N14 96.8(12) . . ?
O7 Dy2 N14 73.0(10) . . ?
N11 Dy2 N14 145.1(12) . . ?
N18 Dy2 N14 71.1(12) . . ?
O9 Dy2 N8 78.0(8) . . ?
O10 Dy2 N8 86.6(10) . . ?
O7 Dy2 N8 134.7(7) . . ?
N11 Dy2 N8 73.3(9) . . ?
N18 Dy2 N8 71.4(8) . . ?
N14 Dy2 N8 141.4(11) . . ?
O9 Dy2 O6 128.4(9) . . ?
O10 Dy2 O6 69.7(11) . . ?
O7 Dy2 O6 54.9(8) . . ?
N11 Dy2 O6 74.7(9) . . ?
N18 Dy2 O6 131.6(9) . . ?
N14 Dy2 O6 74.3(11) . . ?
N8 Dy2 O6 140.8(8) . . ?
O9 Dy2 N4 100.6(9) . . ?
O10 Dy2 N4 97.5(10) . . ?
O7 Dy2 N4 27.3(7) . . ?
N11 Dy2 N4 75.3(9) . . ?
N18 Dy2 N4 140.6(8) . . ?
N14 Dy2 N4 69.8(11) . . ?
N8 Dy2 N4 148.0(8) . . ?
O6 Dy2 N4 27.8(8) . . ?
O4 Dy1 O5 161.8(9) . . ?
O4 Dy1 N7 89.0(10) . . ?
O5 Dy1 N7 99.3(10) . . ?
O4 Dy1 O1 129.8(8) . . ?
O5 Dy1 O1 68.2(9) . . ?
N7 Dy1 O1 75.4(9) . . ?
O4 Dy1 O2 74.5(8) . . ?
O5 Dy1 O2 123.4(9) . . ?
N7 Dy1 O2 72.8(9) . . ?
O1 Dy1 O2 55.4(8) . . ?
O4 Dy1 N17 79.2(9) . . ?
O5 Dy1 N17 84.6(9) . . ?
N7 Dy1 N17 143.0(10) . . ?
O1 Dy1 N17 137.7(9) . . ?
O2 Dy1 N17 134.8(8) . . ?
O4 Dy1 N13 96.3(10) . . ?
O5 Dy1 N13 86.7(10) . . ?
N7 Dy1 N13 143.4(10) . . ?
O1 Dy1 N13 73.5(9) . . ?
O2 Dy1 N13 73.9(9) . . ?
N17 Dy1 N13 73.2(10) . . ?
O4 Dy1 N10 83.9(9) . . ?
O5 Dy1 N10 83.4(9) . . ?
N7 Dy1 N10 71.9(10) . . ?
O1 Dy1 N10 132.0(8) . . ?
O2 Dy1 N10 138.5(8) . . ?
N17 Dy1 N10 72.1(9) . . ?
N13 Dy1 N10 144.6(10) . . ?
O4 Dy1 N1 100.1(9) . . ?
O5 Dy1 N1 97.9(10) . . ?
N7 Dy1 N1 69.6(10) . . ?
O1 Dy1 N1 29.8(9) . . ?
O2 Dy1 N1 25.8(8) . . ?
N17 Dy1 N1 146.7(9) . . ?
N13 Dy1 N1 73.8(9) . . ?
N10 Dy1 N1 141.2(9) . . ?
N4 O7 Dy2 97.8(16) . . ?
C64 N17 Dy1 146(2) . . ?
C26 N8 Dy2 150(3) . . ?
N4 O6 Dy2 92.2(18) . . ?
N1 O2 Dy1 98.5(19) . . ?
C1 O4 Dy1 147(2) . . ?
C19 O10 Dy2 145(3) . . ?
N13 C51 Pt3 176(3) . . ?
C38 N10 Dy1 172(3) . . ?
N1 O1 Dy1 93.6(17) . . ?
C46 N12 C50 118(3) . . ?
C46 N12 Pt2 116(2) . . ?
C50 N12 Pt2 126(2) . . ?
N11 C39 Pt2 176(3) . . ?
C54 C53 C58 120(3) . . ?
C54 C53 Pt3 128(2) . . ?
C58 C53 Pt3 112(2) . . ?
N18 C52 Pt3 179(3) 1_455 . ?
N10 C38 Pt2 178(3) . . ?
C45 C40 C41 122(3) . . ?
C45 C40 Pt2 112(2) . . ?
C41 C40 Pt2 126(2) . . ?
C40 C41 C42 118(3) . . ?
C65 N14 Dy2 163(3) 1_655 . ?
N14 C65 Pt4 178(3) 1_455 . ?
C39 N11 Dy2 161(3) . . ?
C25 N7 Dy1 166(3) . . ?
C13 O9 Dy2 146(2) . . ?
C17 N5 C15 121(4) . . ?
C17 N5 C16 115(4) . . ?
C15 N5 C16 122(4) . . ?
C5 N2 C3 117(4) . . ?
C5 N2 C4 126(4) . . ?
C3 N2 C4 117(3) . . ?
C7 O5 Dy1 143(3) . . ?
C51 N13 Dy1 160(3) . . ?
N17 C64 Pt4 171(3) . . ?
C52 N18 Dy2 176(2) 1_655 . ?
N7 C25 Pt1 175(3) . . ?
N8 C26 Pt1 170(3) . . ?
C67 C66 C71 118(3) . . ?
C67 C66 Pt4 129(3) . . ?
C71 C66 Pt4 113(2) . . ?
C76 N19 C72 119(3) . . ?
C76 N19 Pt4 124(3) . . ?
C72 N19 Pt4 117(2) . . ?
C40 C45 C44 121(3) . . ?
C40 C45 C46 120(3) . . ?
C44 C45 C46 119(3) . . ?
C27 C32 C31 120(3) . . ?
C27 C32 C33 114(3) . . ?
C31 C32 C33 126(3) . . ?
C11 N3 C9 118(4) . . ?
C11 N3 C10 125(4) . . ?
C9 N3 C10 117(4) . . ?
C33 N9 C37 121(3) . . ?
C33 N9 Pt1 116(2) . . ?
C37 N9 Pt1 124(3) . . ?
O10 C19 C20 129(4) . . ?
O10 C19 C24 117(4) . . ?
C20 C19 C24 114(3) . . ?
C43 C44 C45 118(3) . . ?
C53 C54 C55 122(3) . . ?
O8 N4 O7 125(3) . . ?
O8 N4 O6 120(3) . . ?
O7 N4 O6 115(3) . . ?
O8 N4 Dy2 176(2) . . ?
O7 N4 Dy2 54.9(13) . . ?
O6 N4 Dy2 60.0(15) . . ?
C23 N6 C21 116(5) . . ?
C23 N6 C22 118(4) . . ?
C21 N6 C22 126(4) . . ?
C53 C58 C59 120(3) . . ?
C53 C58 C57 117(3) . . ?
C59 C58 C57 122(3) . . ?
C46 C47 C48 120(4) . . ?
N19 C72 C73 118(3) . . ?
N19 C72 C71 112(3) . . ?
C73 C72 C71 130(4) . . ?
C69 C68 C67 120(4) . . ?
C60 C59 N15 123(4) . . ?
C60 C59 C58 127(4) . . ?
N15 C59 C58 110(3) . . ?
C30 C31 C32 117(4) . . ?
C50 C49 C48 123(4) . . ?
C63 N15 C59 117(3) . . ?
C63 N15 Pt3 125(2) . . ?
C59 N15 Pt3 117(2) . . ?
O3 N1 O2 130(4) . . ?
O3 N1 O1 118(3) . . ?
O2 N1 O1 112(3) . . ?
O3 N1 Dy1 174(3) . . ?
O2 N1 Dy1 55.7(15) . . ?
O1 N1 Dy1 56.7(14) . . ?
N15 C63 C62 121(3) . . ?
C59 C60 C61 115(4) . . ?
C66 C67 C68 124(3) . . ?
N9 C33 C34 122(4) . . ?
N9 C33 C32 116(3) . . ?
C34 C33 C32 122(4) . . ?
C70 C71 C66 118(3) . . ?
C70 C71 C72 124(3) . . ?
C66 C71 C72 118(3) . . ?
C56 C55 C54 122(4) . . ?
O4 C1 C2 125(4) . . ?
O4 C1 C6 121(4) . . ?
C2 C1 C6 114(4) . . ?
O5 C7 C12 133(4) . . ?
O5 C7 C8 114(4) . . ?
C12 C7 C8 113(4) . . ?
C49 C50 N12 120(3) . . ?
C27 C28 C29 119(4) . . ?
C62 C61 C60 125(4) . . ?
C35 C34 C33 117(4) . . ?
C75 C76 N19 119(4) . . ?
N9 C37 C36 117(4) . . ?
O9 C13 C18 125(4) . . ?
O9 C13 C14 122(4) . . ?
C18 C13 C14 113(5) . . ?
C61 C62 C63 118(4) . . ?
C30 C29 C28 119(4) . . ?
C68 C69 C70 116(4) . . ?
C2 C3 N2 124(5) . . ?
C74 C73 C72 127(5) . . ?
C7 C12 C11 125(5) . . ?
C43 C42 C41 119(4) . . ?
C13 C18 C17 122(6) . . ?
C71 C70 C69 123(4) . . ?
C5 C6 C1 122(5) . . ?
C47 C48 C49 118(4) . . ?
N3 C11 C12 119(5) . . ?
C42 C43 C44 122(4) . . ?
C36 C35 C34 120(5) . . ?
C55 C56 C57 119(4) . . ?
C21 C20 C19 121(4) . . ?
C20 C21 N6 124(4) . . ?
C35 C36 C37 123(4) . . ?
N2 C5 C6 121(5) . . ?
C76 C75 C74 121(5) . . ?
C47 C46 N12 121(4) . . ?
C47 C46 C45 128(4) . . ?
N12 C46 C45 110(3) . . ?
C56 C57 C58 120(4) . . ?
C9 C8 C7 126(6) . . ?
C8 C9 N3 119(6) . . ?
C15 C14 C13 122(6) . . ?
N5 C15 C14 121(6) . . ?
C28 C27 C32 122(3) . . ?
C28 C27 Pt1 123(3) . . ?
C32 C27 Pt1 114(2) . . ?
C31 C30 C29 122(4) . . ?
N5 C17 C18 118(5) . . ?
C23 C24 C19 118(5) . . ?
C73 C74 C75 116(5) . . ?
C3 C2 C1 120(5) . . ?
N6 C23 C24 126(6) . . ?
N20 C77 C78 162(9) . . ?



# END of CIF
####################################################################### 
# 
# 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_shelx_CCDC3
_database_code_depnum_ccdc_archive 'CCDC 2287739'
loop_
_audit_author_name
_audit_author_address
'Szymon Chorazy'
;Faculty of Chemistry, Jagiellonian University
Poland
;
_audit_update_record             
;
2024-05-01 deposited with the CCDC.	2024-09-25 downloaded from the CCDC.
;

_audit_creation_date             2024-03-18T13:50:57-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.5
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_formula_moiety         'C147 H126 Dy4 N38 O23 Pt8'
_chemical_formula_sum            'C147 H126 Dy4 N38 O23 Pt8'
_chemical_formula_weight         5003.57

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.8627(11)
_cell_length_b                   17.3706(13)
_cell_length_c                   18.0173(13)
_cell_angle_alpha                99.150(2)
_cell_angle_beta                 112.085(2)
_cell_angle_gamma                108.731(2)
_cell_volume                     4129.3(5)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    70093
_cell_measurement_theta_min      2.116
_cell_measurement_theta_max      25.026
_cell_measurement_wavelength     0.71073

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       block
_exptl_crystal_colour            green
_exptl_crystal_size_max          0.9
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.07
_exptl_crystal_density_diffrn    2.012
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2346

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    8.603
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5954
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_probe          x-ray
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'D8Venture Photon III CPAD'
_diffrn_measurement_method       ω
_diffrn_standards_number         0
_diffrn_standards_interval_time  0
_diffrn_standards_interval_count 0
_diffrn_standards_decay_%        0
_diffrn_reflns_av_R_equivalents  0.0787
_diffrn_reflns_av_unetI/netI     0.0614
_diffrn_reflns_number            70093
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.116
_diffrn_reflns_theta_max         25.026
_diffrn_reflns_theta_full        25.026
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_reflns_Friedel_coverage         0
_reflns_number_total             14584
_reflns_number_gt                12181
_reflns_threshold_expression     'I > 2σ(I)'

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       'APEX4 (Bruker, 2021)'
_computing_cell_refinement       'SAINT (Bruker, 2021)'
_computing_data_reduction        'SAINT (Bruker, 2021)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION                                       #
#----------------------------------------------------------------------------#

_atom_sites_solution_hydrogens   mixed

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_shelx_SHELXL_version_number     2018/3
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0332P)²+70.2774P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_number_reflns         14584
_refine_ls_number_parameters     1034
_refine_ls_number_restraints     140
_refine_ls_number_constraints    0
_refine_ls_R_factor_all          0.0663
_refine_ls_R_factor_gt           0.0528
_refine_ls_wR_factor_ref         0.1217
_refine_ls_wR_factor_gt          0.1157
_refine_ls_goodness_of_fit_ref   1.12
_refine_ls_restrained_S_all      1.118
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_diff_density_max         2.818
_refine_diff_density_min         -2.044
_refine_diff_density_rms         0.225


# start Validation Reply Form 
_vrf_PLAT220_shelx               
;
RESPONSE: The presence of this alert is due to large discrepancies within Ueq 
values for non-solvent atoms. This is due to the presence of residual densities
originating from the heavy atoms, thus atoms close to large residual
densities tend to have elongated or decreased ellipsoids, respectively, 
to reduce their initial values in the least-squares procedure. 
;
_vrf_PLAT342_shelx               
;
RESPONSE: The presence of this alert is due to the partial structural disorder 
for within the crystal structure of this compound. 
;
_vrf_PLAT971_shelx               
;
RESPONSE: Large calculated positive residual densities are due to the presence 
of heavy atoms in the crystal structure (Dy, Pt). All of them are close to 
the positions occupied by Dy and Pt atoms, but cannot be fully described by
their elipsoids. Although large positive residual densities can 
be described by the insertion of additional Dy and Pt atoms with small 
occupancies (<0.01), but this yields a chemically unreliable 
structural model and a rather unstable refinement procedure.
;
_vrf_PLAT975_shelx               
;
RESPONSE: Large calculated positive residual densities are due to the presence 
of heavy atoms in the crystal structure (Dy, Pt). All of them are close to 
the positions occupied by Dy and Pt atoms, but cannot be fully described by
their elipsoids. Although large positive residual densities can 
be described by the insertion of additional Dy and Pt atoms with small 
occupancies (<0.01), but this yields a chemically unreliable 
structural model and a rather unstable refinement procedure.
;
_vrf_PLAT417_shelx               
;
RESPONSE: Short Inter D-H..H-D originate from the 
structural disorder found for the crystallization solvent in the crystal 
structure of this compound. This alert is partially due to the presence 
of a variety of different solvents, including methanol, acetonitrile, and 
diethyl ether, necessary to obtain single crystals suitable for XRD
experiments.
;
# end Validation Reply Form


#----------------------------------------------------------------------------#
#                   CONSTRAINTS AND RESTRAINTS                               #
#----------------------------------------------------------------------------#


#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 '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'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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
Pt4 Pt 0.83269(3) 0.61697(3) 0.88715(3) 0.02091(11) Uani 1 1 d . . . . .
Pt1 Pt 0.08583(3) 0.49266(3) 0.70018(3) 0.02027(11) Uani 1 1 d . . . . .
Pt2 Pt 0.29489(4) 0.84353(3) 0.59001(3) 0.02244(12) Uani 1 1 d . . . . .
Pt3 Pt -0.23349(4) 0.92321(3) 0.75544(3) 0.02183(12) Uani 1 1 d . . . . .
Dy2 Dy 0.47174(4) 0.63825(4) 0.73194(3) 0.02117(13) Uani 1 1 d . . . . .
Dy1 Dy 0.03005(5) 0.78968(4) 0.72578(4) 0.02993(16) Uani 1 1 d D . . . .
O6 O 0.4131(6) 0.5652(6) 0.5977(5) 0.032(2) Uani 1 1 d . . . . .
O7 O 0.5527(7) 0.7474(6) 0.8546(6) 0.039(2) Uani 1 1 d . . . . .
C58 C 0.9603(8) 0.6162(6) 0.9712(7) 0.016(2) Uani 1 1 d . . . . .
O8 O 0.4186(7) 0.4845(5) 0.7266(6) 0.034(2) Uani 1 1 d . . . . .
O9 O 0.4813(7) 0.5796(7) 0.8493(6) 0.039(2) Uani 1 1 d . . . . .
O10 O 0.4267(9) 0.4428(8) 0.8366(8) 0.065(3) Uani 1 1 d . . . . .
C16 C 0.608(3) 0.8908(17) 0.9224(15) 0.151(12) Uani 1 1 d D U . . .
H16 H 0.540315 0.883362 0.904973 0.181 Uiso 1 1 calc R U . . .
O1 O -0.0938(7) 0.7040(6) 0.5897(6) 0.038(2) Uani 1 1 d D . . . .
H1 H -0.091(7) 0.650(4) 0.577(4) 0.056 Uiso 1 1 d D U . . .
O5 O 0.1606(7) 0.8211(6) 0.8540(6) 0.038(2) Uani 1 1 d . . . . .
C44 C -0.3451(9) 0.8127(8) 0.7192(8) 0.025(3) Uani 1 1 d . . . . .
C39 C 0.4035(9) 0.9195(8) 0.4189(8) 0.030(3) Uani 1 1 d . . . . .
H39 H 0.386383 0.948763 0.379176 0.036 Uiso 1 1 calc R U . . .
C57 C 0.8966(9) 0.6682(8) 0.8210(7) 0.023(3) Uani 1 1 d . . . . .
N11 N 0.3793(8) 0.8626(6) 0.5265(7) 0.028(2) Uani 1 1 d . . . . .
C43 C -0.1501(9) 0.8636(7) 0.7387(8) 0.026(3) Uani 1 1 d . . . . .
C18 C 0.2249(10) 0.5518(8) 0.7146(8) 0.026(3) Uani 1 1 d . . . . .
C56 C 0.7013(10) 0.6136(7) 0.8120(8) 0.026(3) Uani 1 1 d . . . . .
C30 C 0.2073(9) 0.8280(8) 0.6444(8) 0.027(3) Uani 1 1 d . . . . .
C19 C -0.0511(9) 0.4229(7) 0.6891(7) 0.022(3) Uani 1 1 d . . . . .
C36 C 0.2469(10) 0.9861(8) 0.4200(8) 0.030(3) Uani 1 1 d . . . . .
H36 H 0.27647 1.002661 0.384751 0.036 Uiso 1 1 calc R U . . .
C42 C 0.4498(9) 0.8315(8) 0.5318(8) 0.032(3) Uani 1 1 d . . . . .
H42 H 0.464521 0.799398 0.569112 0.038 Uiso 1 1 calc R U . . .
O3 O 0.1134(8) 0.9459(6) 0.7782(7) 0.046(3) Uani 1 1 d . . . . .
O2 O 0.0151(8) 0.8950(7) 0.6448(7) 0.041(2) Uani 1 1 d . . . . .
C61 C 1.1258(9) 0.6061(7) 1.0959(8) 0.026(3) Uani 1 1 d . . . . .
H61 H 1.1819 0.603583 1.138321 0.032 Uiso 1 1 calc R U . . .
C40 C 0.4753(10) 0.8900(9) 0.4269(8) 0.034(3) Uani 1 1 d . . . . .
H40 H 0.508717 0.899549 0.392979 0.041 Uiso 1 1 calc R U . . .
C62 C 1.0335(9) 0.5779(7) 1.0967(8) 0.026(3) Uani 1 1 d . . . . .
H62 H 1.025951 0.554466 1.139165 0.031 Uiso 1 1 calc R U . . .
C31 C 0.3597(9) 0.7763(7) 0.6514(8) 0.023(3) Uani 1 1 d . . . . .
C45 C -0.3088(9) 0.9958(7) 0.7686(7) 0.024(3) Uani 1 1 d . . . . .
C24 C -0.0727(9) 0.3372(8) 0.6818(7) 0.027(3) Uani 1 1 d . . . . .
C73 C -0.1266(11) 0.4764(10) 0.4907(8) 0.039(3) Uani 1 1 d . . . . .
C74 C -0.1290(11) 0.3911(8) 0.4726(9) 0.040(3) Uani 1 1 d . . . . .
H74A H -0.060473 0.395198 0.49749 0.059 Uiso 1 1 calc R U . . .
H74B H -0.160909 0.363754 0.411235 0.059 Uiso 1 1 calc R U . . .
H74C H -0.167121 0.356693 0.496679 0.059 Uiso 1 1 calc R U . . .
C34 C 0.1320(11) 0.9885(9) 0.4748(9) 0.036(3) Uani 1 1 d . . . . .
H34 H 0.083709 1.007713 0.478966 0.043 Uiso 1 1 calc R U . . .
C20 C -0.1220(9) 0.4533(8) 0.6927(8) 0.027(3) Uani 1 1 d . . . . .
H20 H -0.108861 0.511914 0.698785 0.033 Uiso 1 1 calc R U . . .
C29 C 0.1704(10) 0.3588(8) 0.6954(9) 0.033(3) Uani 1 1 d . . . . .
H29 H 0.228557 0.40427 0.702525 0.04 Uiso 1 1 calc R U . . .
C7 C 0.3917(10) 0.5015(8) 0.5395(8) 0.031(3) Uani 1 1 d . U . . .
C60 C 1.1339(10) 0.6378(8) 1.0321(8) 0.032(3) Uani 1 1 d . . . . .
H60 H 1.195822 0.655829 1.029838 0.039 Uiso 1 1 calc R U . . .
C35 C 0.1723(11) 1.0107(9) 0.4222(9) 0.040(4) Uani 1 1 d . . . . .
H35 H 0.149554 1.042629 0.38736 0.048 Uiso 1 1 calc R U . . .
C50 C -0.2517(9) 1.0829(7) 0.7970(7) 0.024(3) Uani 1 1 d . . . . .
C68 C 0.6883(11) 0.5445(10) 0.9585(9) 0.040(3) Uani 1 1 d . . . . .
H68 H 0.639909 0.553098 0.91407 0.048 Uiso 1 1 calc R U . . .
C46 C -0.4086(10) 0.9659(8) 0.7493(8) 0.030(3) Uani 1 1 d . . . . .
H46 H -0.447264 0.906025 0.732859 0.036 Uiso 1 1 calc R U . . .
C65 C 0.8282(10) 0.5198(8) 1.0873(8) 0.029(3) Uani 1 1 d . . . . .
H65 H 0.876784 0.511985 1.13233 0.035 Uiso 1 1 calc R U . . .
C21 C -0.2115(10) 0.3978(9) 0.6873(8) 0.035(3) Uani 1 1 d . . . . .
H21 H -0.258919 0.419062 0.689847 0.042 Uiso 1 1 calc R U . . .
C2 C 0.2328(10) 0.8020(8) 0.8899(9) 0.033(3) Uani 1 1 d . . . . .
C12 C 0.6209(15) 0.8198(13) 0.8977(12) 0.069(5) Uani 1 1 d D U . . .
C54 C 0.0482(10) 1.1435(8) 0.8475(9) 0.036(3) Uani 1 1 d . . . . .
H54 H 0.115316 1.154596 0.859067 0.043 Uiso 1 1 calc R U . . .
C49 C -0.2950(10) 1.1410(9) 0.8027(8) 0.033(3) Uani 1 1 d . . . . .
H49 H -0.255318 1.200965 0.821166 0.04 Uiso 1 1 calc R U . . .
C8 C 0.3219(12) 0.4837(11) 0.4543(10) 0.054(4) Uani 1 1 d . U . . .
H8 H 0.285281 0.51765 0.441304 0.065 Uiso 1 1 calc R U . . .
C28 C 0.1680(11) 0.2771(9) 0.6887(9) 0.041(4) Uani 1 1 d . . . . .
H28 H 0.224475 0.266646 0.692573 0.049 Uiso 1 1 calc R U . . .
C22 C -0.2322(11) 0.3122(9) 0.6782(9) 0.043(4) Uani 1 1 d . . . . .
H22 H -0.29334 0.274741 0.674615 0.051 Uiso 1 1 calc R U . . .
C26 C -0.0007(11) 0.2284(8) 0.6700(9) 0.035(3) Uani 1 1 d . . . . .
H26 H -0.061849 0.182935 0.657544 0.042 Uiso 1 1 calc R U . . .
C53 C 0.0208(11) 1.2115(9) 0.8623(10) 0.043(4) Uani 1 1 d . . . . .
H53 H 0.068735 1.26931 0.8827 0.052 Uiso 1 1 calc R U . . .
C11 C 0.4408(12) 0.4460(10) 0.5536(10) 0.048(4) Uani 1 1 d . U . . .
H11 H 0.487609 0.454011 0.609132 0.057 Uiso 1 1 calc R U . . .
C6 C 0.2710(12) 0.8091(10) 0.9769(9) 0.047(4) Uani 1 1 d . . . . .
H6 H 0.240445 0.825829 1.009033 0.056 Uiso 1 1 calc R U . . .
C52 C -0.0765(10) 1.1931(8) 0.8466(8) 0.031(3) Uani 1 1 d . . . . .
H52 H -0.095707 1.238465 0.857415 0.038 Uiso 1 1 calc R U . . .
C5 C 0.3521(12) 0.7916(12) 1.0137(10) 0.060(5) Uani 1 1 d . . . . .
H5 H 0.380808 0.80053 1.072735 0.071 Uiso 1 1 calc R U . . .
C47 C -0.4539(12) 1.0227(10) 0.7536(8) 0.042(4) Uani 1 1 d . . . . .
H47 H -0.52339 1.001636 0.73793 0.05 Uiso 1 1 calc R U . . .
C10 C 0.4199(14) 0.3800(12) 0.4858(12) 0.066(5) Uani 1 1 d . U . . .
H10 H 0.451023 0.341595 0.495013 0.079 Uiso 1 1 calc R U . . .
C1 C -0.1564(14) 0.7269(12) 0.5235(11) 0.066(5) Uani 1 1 d . . . . .
H1A H -0.201201 0.675932 0.473519 0.1 Uiso 1 1 calc R U . . .
H1C H -0.196228 0.749543 0.543023 0.1 Uiso 1 1 calc R U . . .
H1B H -0.11436 0.770653 0.508998 0.1 Uiso 1 1 calc R U . . .
C27 C 0.0803(11) 0.2105(9) 0.6762(10) 0.042(4) Uani 1 1 d . . . . .
H27 H 0.076518 0.154123 0.671967 0.051 Uiso 1 1 calc R U . . .
C9 C 0.3077(15) 0.4200(13) 0.3928(13) 0.074(6) Uani 1 1 d . U . . .
H9 H 0.261308 0.409614 0.336304 0.089 Uiso 1 1 calc R U . . .
C48 C -0.3948(11) 1.1108(9) 0.7814(8) 0.039(3) Uani 1 1 d . . . . .
H48 H -0.424202 1.150117 0.785518 0.047 Uiso 1 1 calc R U . . .
C14 C 0.803(2) 0.9105(16) 0.9719(19) 0.171(14) Uani 1 1 d D U . . .
H14 H 0.870483 0.919332 0.987967 0.206 Uiso 1 1 calc R U . . .
C63 C 0.9516(10) 0.5840(7) 1.0350(7) 0.026(3) Uani 1 1 d . . . . .
C38 C 0.3549(9) 0.9063(7) 0.4702(7) 0.024(3) Uani 1 1 d . . . . .
C41 C 0.5001(9) 0.8465(8) 0.4833(8) 0.029(3) Uani 1 1 d . . . . .
H41 H 0.551038 0.826904 0.489063 0.035 Uiso 1 1 calc R U . . .
C59 C 1.0530(10) 0.6438(7) 0.9714(9) 0.032(3) Uani 1 1 d . . . . .
H59 H 1.060983 0.66718 0.929079 0.038 Uiso 1 1 calc R U . . .
C37 C 0.2785(9) 0.9370(7) 0.4698(7) 0.022(3) Uani 1 1 d . . . . .
C64 C 0.8537(10) 0.5554(8) 1.0311(7) 0.027(3) Uani 1 1 d . . . . .
C33 C 0.1620(10) 0.9373(8) 0.5225(9) 0.034(3) Uani 1 1 d . . . . .
H33 H 0.130869 0.919563 0.55643 0.041 Uiso 1 1 calc R U . . .
O4 O 0.1059(9) 1.0314(7) 0.7027(9) 0.066(4) Uani 1 1 d . . . . .
C25 C 0.0055(9) 0.3100(8) 0.6814(7) 0.028(3) Uani 1 1 d . . . . .
C4 C 0.3588(12) 0.7541(10) 0.8891(11) 0.050(4) Uani 1 1 d . . . . .
H4 H 0.390393 0.735163 0.859167 0.06 Uiso 1 1 calc R U . . .
C23 C -0.1624(10) 0.2818(8) 0.6742(8) 0.032(3) Uani 1 1 d . . . . .
H23 H -0.176413 0.222845 0.666399 0.039 Uiso 1 1 calc R U . . .
C3 C 0.2801(11) 0.7718(9) 0.8473(9) 0.043(4) Uani 1 1 d . . . . .
H3 H 0.256508 0.76367 0.788529 0.052 Uiso 1 1 calc R U . . .
C67 C 0.6622(12) 0.5089(11) 1.0141(10) 0.050(4) Uani 1 1 d . . . . .
H67 H 0.596338 0.493724 1.008067 0.06 Uiso 1 1 calc R U . . .
C55 C -0.0230(10) 1.0613(8) 0.8164(9) 0.034(3) Uani 1 1 d . . . . .
H55 H -0.004735 1.0154 0.805081 0.04 Uiso 1 1 calc R U . . .
C66 C 0.7307(11) 0.4955(9) 1.0776(9) 0.041(4) Uani 1 1 d . . . . .
H66 H 0.712252 0.469734 1.115049 0.049 Uiso 1 1 calc R U . . .
C51 C -0.1458(10) 1.1097(7) 0.8156(8) 0.026(3) Uani 1 1 d . . . . .
C13 C 0.7223(14) 0.8360(15) 0.9287(14) 0.114(10) Uani 1 1 d D . . . .
H13 H 0.735651 0.787014 0.917429 0.136 Uiso 1 1 calc R U . . .
C15 C 0.680(2) 0.9732(19) 0.9702(17) 0.146(12) Uani 1 1 d D U . . .
H15 H 0.668505 1.021852 0.986732 0.175 Uiso 1 1 calc R U . . .
C17 C 0.0662(9) 0.5964(8) 0.7044(8) 0.027(3) Uani 1 1 d . . . . .
N8 N 0.0905(7) 0.3745(6) 0.6919(7) 0.026(2) Uani 1 1 d . . . . .
N17 N 0.7832(8) 0.5675(7) 0.9667(7) 0.032(3) Uani 1 1 d . . . . .
C32 C 0.2361(9) 0.9120(7) 0.5215(7) 0.023(3) Uani 1 1 d . . . . .
N16 N 0.9374(8) 0.7006(7) 0.7860(7) 0.029(2) Uani 1 1 d . . . . .
N15 N 0.6233(8) 0.6118(6) 0.7715(6) 0.024(2) Uani 1 1 d . . . . .
N13 N -0.4094(8) 0.7471(7) 0.7000(6) 0.027(2) Uani 1 1 d . . . . .
N12 N -0.1006(8) 0.8332(6) 0.7280(7) 0.032(3) Uani 1 1 d . . . . .
N7 N 0.3064(8) 0.5865(6) 0.7251(6) 0.025(2) Uani 1 1 d . . . . .
N1 N 0.0792(10) 0.9594(8) 0.7075(10) 0.046(3) Uani 1 1 d . . . . .
N20 N -0.1246(11) 0.5428(9) 0.5078(9) 0.055(4) Uani 1 1 d . . . . .
N6 N 0.0520(9) 0.6580(7) 0.7040(8) 0.037(3) Uani 1 1 d . . . . .
N14 N -0.1196(8) 1.0429(7) 0.8010(7) 0.031(3) Uani 1 1 d . . . . .
N10 N 0.3964(8) 0.7354(6) 0.6835(7) 0.029(2) Uani 1 1 d . . . . .
N3 N 0.3566(11) 0.3705(9) 0.4081(9) 0.060(4) Uani 1 1 d . U . . .
H3N H 0.346752 0.330198 0.365426 0.072 Uiso 1 1 calc R U . . .
N2 N 0.3922(10) 0.7624(9) 0.9687(8) 0.051(3) Uani 1 1 d . . . . .
H2N H 0.442014 0.748522 0.99365 0.061 Uiso 1 1 calc R U . . .
N9 N 0.1523(8) 0.8171(7) 0.6731(7) 0.031(2) Uani 1 1 d . U . . .
N4 N 0.769(2) 0.9726(18) 0.9888(16) 0.158(10) Uani 1 1 d D U . . .
H4N H 0.818829 1.023539 1.019078 0.19 Uiso 1 1 calc R U . . .
N5 N 0.4426(8) 0.5010(8) 0.8052(8) 0.037(3) Uani 1 1 d . . . . .
C1M C 1.007(2) 1.121(2) 1.046(2) 0.149(12) Uani 1 1 d D U . . .
H1M1 H 1.056254 1.168097 1.040195 0.178 Uiso 1 1 calc R U . . .
H1M2 H 0.984591 1.067765 1.001908 0.178 Uiso 1 1 calc R U . . .
H1M3 H 1.037592 1.114972 1.101647 0.178 Uiso 1 1 calc R U . . .
O1M O 0.928(2) 1.139(2) 1.0374(18) 0.202(11) Uani 1 1 d D U . . .
C2M C 0.6289(15) 0.7172(14) 1.0736(13) 0.021(5) Uani 0.5 1 d D . P . .
H2M1 H 0.673062 0.724891 1.04663 0.025 Uiso 0.5 1 calc R U P . .
H2M2 H 0.636355 0.676313 1.104541 0.025 Uiso 0.5 1 calc R U P . .
H2M3 H 0.646828 0.772431 1.112889 0.025 Uiso 0.5 1 calc R U P . .
O2M O 0.5342(16) 0.6872(16) 1.0145(14) 0.071(7) Uani 0.5 1 d D . P . .
H2M H 0.524337 0.649486 0.972927 0.085 Uiso 0.5 1 calc R U P . .
C3A C 0.581(3) 0.336(2) 0.799(2) 0.059(9) Uani 0.5 1 d D U P . .
C4A C 0.562(3) 0.370(2) 0.734(2) 0.069(10) Uani 0.5 1 d D U P . .
H4A1 H 0.536609 0.325291 0.680102 0.083 Uiso 0.5 1 calc R U P . .
H4A2 H 0.624521 0.416297 0.743541 0.083 Uiso 0.5 1 calc R U P . .
H4A3 H 0.512711 0.393079 0.730527 0.083 Uiso 0.5 1 calc R U P . .
N2A N 0.588(6) 0.296(5) 0.855(4) 0.26(4) Uani 0.5 1 d D U P . .
C12A C 0.641(3) 0.957(2) 1.170(2) 0.066(10) Uani 0.5 1 d D U P A -2
H12A H 0.59277 0.900535 1.162728 0.079 Uiso 0.5 1 calc R U P A -2
H12B H 0.666272 0.995456 1.226953 0.079 Uiso 0.5 1 calc R U P A -2
H12C H 0.696382 0.95094 1.162097 0.079 Uiso 0.5 1 calc R U P A -2
C11A C 0.593(4) 0.991(3) 1.111(3) 0.113(17) Uani 0.5 1 d D U P A -2
N10A N 0.529(4) 0.996(4) 1.041(3) 0.16(2) Uani 0.5 1 d D U P A -2
H1MA H 0.918(16) 1.14(2) 1.086(10) 0.24 Uiso 1 1 d D U . . .



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_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
Pt4 C57 1.977(12) . ?
Pt4 C56 1.989(14) . ?
Pt4 C58 2.027(11) . ?
Pt4 N17 2.052(11) . ?
Pt1 C17 1.920(13) . ?
Pt1 C18 2.005(14) . ?
Pt1 C19 2.033(12) . ?
Pt1 N8 2.061(10) . ?
Pt2 C30 1.957(12) . ?
Pt2 C31 1.993(12) . ?
Pt2 C32 2.030(11) . ?
Pt2 N11 2.049(10) . ?
Pt3 C44 1.949(13) . ?
Pt3 C43 1.999(12) . ?
Pt3 C45 2.040(11) . ?
Pt3 N14 2.047(11) . ?
Dy2 O6 2.214(8) . ?
Dy2 O7 2.258(9) . ?
Dy2 N7 2.431(11) . ?
Dy2 N10 2.452(10) . ?
Dy2 N15 2.454(10) . ?
Dy2 O9 2.465(9) . ?
Dy2 O8 2.503(8) . ?
Dy2 N13 2.517(11) 1_655 ?
Dy2 N5 2.896(11) . ?
Dy1 O5 2.281(10) . ?
Dy1 O1 2.329(10) . ?
Dy1 N9 2.413(10) . ?
Dy1 N6 2.416(11) . ?
Dy1 N12 2.435(10) . ?
Dy1 O3 2.439(10) . ?
Dy1 N16 2.450(10) 1_455 ?
Dy1 O2 2.530(9) . ?
Dy1 N1 2.904(11) . ?
O6 C7 1.249(15) . ?
O7 C12 1.24(2) . ?
C58 C63 1.389(16) . ?
C58 C59 1.389(17) . ?
O8 N5 1.274(14) . ?
O9 N5 1.274(15) . ?
O10 N5 1.239(14) . ?
C16 C12 1.351(18) . ?
C16 C15 1.386(19) . ?
O1 C1 1.442(18) . ?
O5 C2 1.263(16) . ?
C44 N13 1.149(15) . ?
C39 C40 1.362(18) . ?
C39 C38 1.412(17) . ?
C57 N16 1.149(15) . ?
N11 C42 1.369(16) . ?
N11 C38 1.375(15) . ?
C43 N12 1.131(15) . ?
C18 N7 1.161(16) . ?
C56 N15 1.163(15) . ?
C30 N9 1.153(15) . ?
C19 C24 1.389(17) . ?
C19 C20 1.404(16) . ?
C36 C35 1.392(18) . ?
C36 C37 1.400(17) . ?
C42 C41 1.390(17) . ?
O3 N1 1.276(16) . ?
O2 N1 1.251(17) . ?
C61 C60 1.381(18) . ?
C61 C62 1.392(17) . ?
C40 C41 1.376(18) . ?
C62 C63 1.405(17) . ?
C31 N10 1.150(15) . ?
C45 C46 1.377(17) . ?
C45 C50 1.377(16) . ?
C24 C23 1.379(18) . ?
C24 C25 1.463(17) . ?
C73 N20 1.133(18) . ?
C73 C74 1.45(2) . ?
C34 C35 1.367(19) . ?
C34 C33 1.401(18) . ?
C20 C21 1.394(18) . ?
C29 N8 1.360(15) . ?
C29 C28 1.393(18) . ?
C7 C11 1.42(2) . ?
C7 C8 1.43(2) . ?
C60 C59 1.385(18) . ?
C50 C49 1.402(16) . ?
C50 C51 1.474(17) . ?
C68 N17 1.370(17) . ?
C68 C67 1.377(19) . ?
C46 C47 1.403(18) . ?
C65 C64 1.385(17) . ?
C65 C66 1.398(19) . ?
C21 C22 1.383(19) . ?
C2 C3 1.410(18) . ?
C2 C6 1.42(2) . ?
C12 C13 1.401(17) . ?
C54 C55 1.365(18) . ?
C54 C53 1.404(18) . ?
C49 C48 1.370(19) . ?
C8 C9 1.33(2) . ?
C28 C27 1.40(2) . ?
C22 C23 1.391(19) . ?
C26 C25 1.366(17) . ?
C26 C27 1.386(19) . ?
C53 C52 1.375(19) . ?
C11 C10 1.39(2) . ?
C6 C5 1.36(2) . ?
C52 C51 1.370(17) . ?
C5 N2 1.33(2) . ?
C47 C48 1.40(2) . ?
C10 N3 1.33(2) . ?
C9 N3 1.33(2) . ?
C14 C13 1.336(18) . ?
C14 N4 1.387(18) . ?
C63 C64 1.441(18) . ?
C38 C37 1.471(16) . ?
C37 C32 1.385(16) . ?
C64 N17 1.376(16) . ?
C33 C32 1.386(17) . ?
O4 N1 1.215(14) . ?
C25 N8 1.371(15) . ?
C4 N2 1.29(2) . ?
C4 C3 1.35(2) . ?
C67 C66 1.36(2) . ?
C55 N14 1.366(16) . ?
C51 N14 1.373(15) . ?
C15 N4 1.328(18) . ?
C17 N6 1.162(16) . ?
C1M O1M 1.352(18) . ?
C2M O2M 1.333(18) . ?
C3A N2A 1.295(17) . ?
C3A C4A 1.383(16) . ?
C12A C11A 1.389(18) . ?
C11A N10A 1.327(18) . ?

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
C57 Pt4 C56 92.6(5) . . ?
C57 Pt4 C58 93.2(5) . . ?
C56 Pt4 C58 174.2(5) . . ?
C57 Pt4 N17 173.2(5) . . ?
C56 Pt4 N17 94.1(5) . . ?
C58 Pt4 N17 80.1(4) . . ?
C17 Pt1 C18 91.6(5) . . ?
C17 Pt1 C19 94.0(5) . . ?
C18 Pt1 C19 174.1(5) . . ?
C17 Pt1 N8 173.7(5) . . ?
C18 Pt1 N8 94.6(4) . . ?
C19 Pt1 N8 79.8(4) . . ?
C30 Pt2 C31 90.5(5) . . ?
C30 Pt2 C32 94.7(5) . . ?
C31 Pt2 C32 174.7(5) . . ?
C30 Pt2 N11 175.6(5) . . ?
C31 Pt2 N11 93.7(4) . . ?
C32 Pt2 N11 81.0(4) . . ?
C44 Pt3 C43 90.1(5) . . ?
C44 Pt3 C45 96.0(5) . . ?
C43 Pt3 C45 173.0(5) . . ?
C44 Pt3 N14 175.2(5) . . ?
C43 Pt3 N14 93.7(4) . . ?
C45 Pt3 N14 80.5(5) . . ?
O6 Dy2 O7 161.6(3) . . ?
O6 Dy2 N7 92.8(3) . . ?
O7 Dy2 N7 98.2(3) . . ?
O6 Dy2 N10 88.1(3) . . ?
O7 Dy2 N10 81.2(4) . . ?
N7 Dy2 N10 72.5(3) . . ?
O6 Dy2 N15 91.4(3) . . ?
O7 Dy2 N15 88.7(3) . . ?
N7 Dy2 N15 143.0(3) . . ?
N10 Dy2 N15 144.4(3) . . ?
O6 Dy2 O9 127.1(3) . . ?
O7 Dy2 O9 70.7(3) . . ?
N7 Dy2 O9 72.3(3) . . ?
N10 Dy2 O9 130.5(3) . . ?
N15 Dy2 O9 76.0(3) . . ?
O6 Dy2 O8 75.2(3) . . ?
O7 Dy2 O8 122.4(3) . . ?
N7 Dy2 O8 71.5(3) . . ?
N10 Dy2 O8 139.2(3) . . ?
N15 Dy2 O8 74.2(3) . . ?
O9 Dy2 O8 51.9(3) . . ?
O6 Dy2 N13 82.8(3) . 1_655 ?
O7 Dy2 N13 79.6(3) . 1_655 ?
N7 Dy2 N13 144.2(3) . 1_655 ?
N10 Dy2 N13 71.9(3) . 1_655 ?
N15 Dy2 N13 72.8(3) . 1_655 ?
O9 Dy2 N13 136.9(3) . 1_655 ?
O8 Dy2 N13 139.5(3) . 1_655 ?
O6 Dy2 N5 101.2(4) . . ?
O7 Dy2 N5 96.5(4) . . ?
N7 Dy2 N5 69.4(3) . . ?
N10 Dy2 N5 141.1(3) . . ?
N15 Dy2 N5 73.7(3) . . ?
O9 Dy2 N5 25.9(3) . . ?
O8 Dy2 N5 26.0(3) . . ?
N13 Dy2 N5 146.3(3) 1_655 . ?
O5 Dy1 O1 155.6(3) . . ?
O5 Dy1 N9 86.0(3) . . ?
O1 Dy1 N9 89.1(4) . . ?
O5 Dy1 N6 80.6(4) . . ?
O1 Dy1 N6 75.1(4) . . ?
N9 Dy1 N6 75.9(4) . . ?
O5 Dy1 N12 116.0(3) . . ?
O1 Dy1 N12 82.3(4) . . ?
N9 Dy1 N12 140.1(4) . . ?
N6 Dy1 N12 137.3(4) . . ?
O5 Dy1 O3 75.4(4) . . ?
O1 Dy1 O3 126.9(3) . . ?
N9 Dy1 O3 78.3(3) . . ?
N6 Dy1 O3 145.7(4) . . ?
N12 Dy1 O3 76.2(3) . . ?
O5 Dy1 N16 81.6(3) . 1_455 ?
O1 Dy1 N16 90.5(4) . 1_455 ?
N9 Dy1 N16 148.9(3) . 1_455 ?
N6 Dy1 N16 74.0(3) . 1_455 ?
N12 Dy1 N16 70.4(3) . 1_455 ?
O3 Dy1 N16 125.1(3) . 1_455 ?
O5 Dy1 O2 124.2(4) . . ?
O1 Dy1 O2 75.9(3) . . ?
N9 Dy1 O2 70.3(3) . . ?
N6 Dy1 O2 135.2(3) . . ?
N12 Dy1 O2 69.9(3) . . ?
O3 Dy1 O2 51.2(4) . . ?
N16 Dy1 O2 139.3(3) 1_455 . ?
O5 Dy1 N1 99.7(4) . . ?
O1 Dy1 N1 101.4(4) . . ?
N9 Dy1 N1 71.1(3) . . ?
N6 Dy1 N1 146.9(3) . . ?
N12 Dy1 N1 72.5(3) . . ?
O3 Dy1 N1 25.8(4) . . ?
N16 Dy1 N1 139.1(3) 1_455 . ?
O2 Dy1 N1 25.5(4) . . ?
C7 O6 Dy2 153.5(9) . . ?
C12 O7 Dy2 147.4(11) . . ?
C63 C58 C59 117.9(11) . . ?
C63 C58 Pt4 114.6(8) . . ?
C59 C58 Pt4 127.5(9) . . ?
N5 O8 Dy2 94.5(7) . . ?
N5 O9 Dy2 96.3(7) . . ?
C12 C16 C15 128(3) . . ?
C1 O1 Dy1 129.5(9) . . ?
C2 O5 Dy1 142.1(8) . . ?
N13 C44 Pt3 178.0(11) . . ?
C40 C39 C38 119.4(12) . . ?
N16 C57 Pt4 176.9(12) . . ?
C42 N11 C38 119.9(11) . . ?
C42 N11 Pt2 126.1(9) . . ?
C38 N11 Pt2 113.9(8) . . ?
N12 C43 Pt3 176.4(11) . . ?
N7 C18 Pt1 178.3(11) . . ?
N15 C56 Pt4 176.5(10) . . ?
N9 C30 Pt2 177.1(12) . . ?
C24 C19 C20 117.8(11) . . ?
C24 C19 Pt1 115.1(9) . . ?
C20 C19 Pt1 127.0(9) . . ?
C35 C36 C37 120.1(12) . . ?
N11 C42 C41 120.8(12) . . ?
N1 O3 Dy1 97.9(9) . . ?
N1 O2 Dy1 94.2(8) . . ?
C60 C61 C62 118.5(12) . . ?
C39 C40 C41 121.1(12) . . ?
C61 C62 C63 120.3(12) . . ?
N10 C31 Pt2 177.1(11) . . ?
C46 C45 C50 119.3(11) . . ?
C46 C45 Pt3 126.5(9) . . ?
C50 C45 Pt3 114.1(9) . . ?
C23 C24 C19 121.9(12) . . ?
C23 C24 C25 122.8(12) . . ?
C19 C24 C25 115.3(11) . . ?
N20 C73 C74 177.3(15) . . ?
C35 C34 C33 119.8(12) . . ?
C21 C20 C19 120.2(12) . . ?
N8 C29 C28 120.9(12) . . ?
O6 C7 C11 121.7(13) . . ?
O6 C7 C8 122.2(13) . . ?
C11 C7 C8 116.0(13) . . ?
C61 C60 C59 121.0(13) . . ?
C34 C35 C36 119.6(13) . . ?
C45 C50 C49 120.7(12) . . ?
C45 C50 C51 116.0(10) . . ?
C49 C50 C51 123.1(11) . . ?
N17 C68 C67 120.7(13) . . ?
C45 C46 C47 121.0(13) . . ?
C64 C65 C66 119.7(12) . . ?
C22 C21 C20 120.8(12) . . ?
O5 C2 C3 123.1(13) . . ?
O5 C2 C6 121.4(12) . . ?
C3 C2 C6 115.5(14) . . ?
O7 C12 C16 125(2) . . ?
O7 C12 C13 122.6(18) . . ?
C16 C12 C13 112(2) . . ?
C55 C54 C53 119.0(13) . . ?
C48 C49 C50 119.6(13) . . ?
C9 C8 C7 120.5(17) . . ?
C29 C28 C27 118.6(13) . . ?
C21 C22 C23 119.1(13) . . ?
C25 C26 C27 121.4(13) . . ?
C52 C53 C54 118.9(13) . . ?
C10 C11 C7 119.5(16) . . ?
C5 C6 C2 119.1(14) . . ?
C51 C52 C53 120.4(11) . . ?
N2 C5 C6 121.7(15) . . ?
C48 C47 C46 118.7(14) . . ?
N3 C10 C11 120.1(18) . . ?
C26 C27 C28 118.8(12) . . ?
N3 C9 C8 122(2) . . ?
C49 C48 C47 120.6(13) . . ?
C13 C14 N4 107(3) . . ?
C58 C63 C62 120.9(12) . . ?
C58 C63 C64 115.5(11) . . ?
C62 C63 C64 123.6(11) . . ?
N11 C38 C39 119.7(11) . . ?
N11 C38 C37 115.4(11) . . ?
C39 C38 C37 124.9(11) . . ?
C40 C41 C42 119.1(12) . . ?
C60 C59 C58 121.4(13) . . ?
C32 C37 C36 120.8(11) . . ?
C32 C37 C38 115.1(10) . . ?
C36 C37 C38 124.1(11) . . ?
N17 C64 C65 119.8(12) . . ?
N17 C64 C63 115.2(11) . . ?
C65 C64 C63 125.0(12) . . ?
C32 C33 C34 121.7(12) . . ?
C26 C25 N8 119.4(12) . . ?
C26 C25 C24 126.1(12) . . ?
N8 C25 C24 114.5(11) . . ?
N2 C4 C3 121.7(15) . . ?
C24 C23 C22 120.0(12) . . ?
C4 C3 C2 120.9(14) . . ?
C66 C67 C68 120.2(14) . . ?
C54 C55 N14 122.2(12) . . ?
C67 C66 C65 119.7(13) . . ?
C52 C51 N14 121.0(12) . . ?
C52 C51 C50 124.8(10) . . ?
N14 C51 C50 114.2(10) . . ?
C14 C13 C12 129(3) . . ?
N4 C15 C16 108(3) . . ?
N6 C17 Pt1 177.6(13) . . ?
C29 N8 C25 120.7(10) . . ?
C29 N8 Pt1 124.0(8) . . ?
C25 N8 Pt1 115.3(8) . . ?
C68 N17 C64 119.9(11) . . ?
C68 N17 Pt4 125.6(9) . . ?
C64 N17 Pt4 114.5(8) . . ?
C37 C32 C33 117.9(11) . . ?
C37 C32 Pt2 114.4(8) . . ?
C33 C32 Pt2 127.7(9) . . ?
C57 N16 Dy1 171.6(10) . 1_655 ?
C56 N15 Dy2 160.9(9) . . ?
C44 N13 Dy2 151.6(10) . 1_455 ?
C43 N12 Dy1 169.9(11) . . ?
C18 N7 Dy2 171.0(9) . . ?
O4 N1 O2 122.4(15) . . ?
O4 N1 O3 121.2(16) . . ?
O2 N1 O3 116.4(11) . . ?
O4 N1 Dy1 176.0(11) . . ?
O2 N1 Dy1 60.3(6) . . ?
O3 N1 Dy1 56.3(6) . . ?
C17 N6 Dy1 171.3(11) . . ?
C55 N14 C51 118.5(11) . . ?
C55 N14 Pt3 126.4(8) . . ?
C51 N14 Pt3 115.1(8) . . ?
C31 N10 Dy2 171.7(10) . . ?
C9 N3 C10 122.0(17) . . ?
C4 N2 C5 121.0(15) . . ?
C30 N9 Dy1 177.0(11) . . ?
C15 N4 C14 135(3) . . ?
O10 N5 O9 121.5(13) . . ?
O10 N5 O8 121.2(13) . . ?
O9 N5 O8 117.3(10) . . ?
O10 N5 Dy2 177.3(9) . . ?
O9 N5 Dy2 57.8(6) . . ?
O8 N5 Dy2 59.5(6) . . ?
N2A C3A C4A 173(5) . . ?
N10A C11A C12A 161(5) . . ?



# END of CIF
