#------------------------------------------------------------------------------
#$Date: 2019-12-17 10:05:33 +0200 (Tue, 17 Dec 2019) $
#$Revision: 245249 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/66/1556611.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1556611
loop_
_publ_author_name
'Langley, S.K.'
'Vignesh, K.R.'
'Holton, K.'
'Benjamin, S.'
'Hix, G.B.'
'Phonsri, W.'
'Moubaraki, B.'
'Murray, K.S.'
'Rajaraman, G.'
_publ_section_title
;
 Mononuclear Dysprosium(III) Complexes with Triphenylphosphine Oxide
 Ligands: Controlling the Coordination Environment and Magnetic Anisotropy
;
_journal_name_full               Inorganics
_journal_page_first              61
_journal_paper_doi               10.3390/inorganics6020061
_journal_volume                  6
_journal_year                    2018
_chemical_formula_sum            'C72 H60 Cl6 Dy Fe O4 P4'
_chemical_formula_weight         1544.13
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.3010(10)
_cell_angle_beta                 96.2960(10)
_cell_angle_gamma                115.6120(10)
_cell_formula_units_Z            4
_cell_length_a                   19.4549(2)
_cell_length_b                   19.8966(3)
_cell_length_c                   19.9214(3)
_cell_measurement_reflns_used    9065
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      27.99
_cell_measurement_theta_min      2.14
_cell_volume                     6899.73(17)
_computing_cell_refinement       'Bruker Apex2 V2.0'
_computing_data_collection       'Bruker Apex2 V2.0'
_computing_data_reduction        'Bruker Apex2 V2.0'
_computing_molecular_graphics    X-Seed
_computing_publication_material  X-Seed
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'APEX 2'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0475
_diffrn_reflns_av_sigmaI/netI    0.0430
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            149199
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.92
_exptl_absorpt_coefficient_mu    1.658
_exptl_absorpt_correction_T_max  0.847
_exptl_absorpt_correction_T_min  0.556
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.486
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3112
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_refine_diff_density_max         2.012
_refine_diff_density_min         -1.264
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     1585
_refine_ls_number_reflns         31378
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0494
_refine_ls_R_factor_gt           0.0377
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0222P)²+9.4472P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0706
_refine_ls_wR_factor_ref         0.0745
_reflns_number_gt                26632
_reflns_number_total             31378
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            5_-__Dy_OPPh3_4Cl2__FeCl4_.cif
_cod_data_source_block           5
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        6899.72(17)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1556611
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.753680(7) 0.467390(7) 0.124368(6) 0.01260(3) Uani 1 1 d . . .
Dy2 Dy 0.751226(7) -0.028844(7) 0.598475(6) 0.01232(3) Uani 1 1 d . . .
Cl3 Cl 0.60289(4) 0.39510(4) 0.10774(4) 0.02532(17) Uani 1 1 d . . .
Cl4 Cl 0.90205(4) 0.03680(5) 0.61539(4) 0.02981(18) Uani 1 1 d . . .
Cl5 Cl 0.90369(4) 0.53520(5) 0.14459(4) 0.02620(17) Uani 1 1 d . . .
Cl6 Cl 0.60094(4) -0.08943(5) 0.58081(4) 0.02943(18) Uani 1 1 d . . .
P7 P 0.77206(4) 0.65995(4) 0.12739(4) 0.01485(15) Uani 1 1 d . . .
P8 P 0.72381(4) 0.44581(4) 0.30511(4) 0.01515(15) Uani 1 1 d . . .
P9 P 0.77189(4) -0.10940(4) 0.76234(4) 0.01511(15) Uani 1 1 d . . .
P10 P 0.72541(4) 0.12482(4) 0.68118(4) 0.01493(15) Uani 1 1 d . . .
P11 P 0.72516(4) 0.46488(4) -0.06328(4) 0.01482(15) Uani 1 1 d . . .
P12 P 0.73271(4) -0.20019(4) 0.50871(4) 0.01494(15) Uani 1 1 d . . .
P13 P 0.78766(4) 0.29776(4) 0.11003(4) 0.01673(16) Uani 1 1 d . . .
Cl14 Cl 0.84275(5) -0.09159(5) 1.04925(5) 0.03242(19) Uani 1 1 d . . .
Fe15 Fe 0.82105(3) 0.00292(3) 1.07888(2) 0.02401(10) Uani 1 1 d . . .
Fe16 Fe 0.69131(3) 0.44428(3) -0.37885(2) 0.02689(11) Uani 1 1 d . . .
Cl17 Cl 0.68066(5) 0.51700(5) -0.45750(5) 0.0409(2) Uani 1 1 d . . .
Cl18 Cl 0.92709(5) 0.10214(5) 1.11665(5) 0.0440(2) Uani 1 1 d . . .
Cl19 Cl 0.71325(6) 0.35788(5) -0.42675(5) 0.0402(2) Uani 1 1 d . . .
P20 P 0.76914(4) 0.06146(4) 0.43376(4) 0.01508(15) Uani 1 1 d . . .
Cl1 Cl 0.74407(6) -0.02974(6) 1.15739(5) 0.0490(3) Uani 1 1 d . . .
Cl2 Cl 0.76704(7) 0.03248(7) 0.98974(5) 0.0517(3) Uani 1 1 d . . .
O5 O 0.75045(11) 0.57775(11) 0.13280(10) 0.0190(4) Uani 1 1 d . . .
O6 O 0.74786(11) 0.07284(11) 0.64418(10) 0.0193(4) Uani 1 1 d . . .
O7 O 0.76278(11) 0.35896(11) 0.11784(10) 0.0189(4) Uani 1 1 d . . .
O8 O 0.75210(12) -0.13036(11) 0.55128(10) 0.0208(5) Uani 1 1 d . . .
O9 O 0.74943(11) 0.45297(11) 0.23563(10) 0.0183(4) Uani 1 1 d . . .
O10 O 0.74966(12) -0.07782(12) 0.69978(10) 0.0211(5) Uani 1 1 d . . .
O11 O 0.74411(11) 0.46833(11) 0.01211(10) 0.0187(4) Uani 1 1 d . . .
O12 O 0.75177(11) 0.01619(11) 0.49496(10) 0.0183(4) Uani 1 1 d . . .
C13 C 0.68361(16) 0.03662(16) 0.37516(15) 0.0180(6) Uani 1 1 d . . .
C14 C 0.85144(16) 0.29955(17) 0.18338(15) 0.0194(6) Uani 1 1 d . . .
C15 C 0.85984(17) -0.16181(18) 0.69972(15) 0.0215(7) Uani 1 1 d . . .
H15 H 0.8818 -0.1136 0.6825 0.026 Uiso 1 1 calc R . .
C16 C 0.70405(16) 0.20928(17) 0.10116(15) 0.0194(6) Uani 1 1 d . . .
C17 C 0.81473(16) -0.22007(16) 0.51392(14) 0.0174(6) Uani 1 1 d . . .
C18 C 0.67275(16) 0.50075(16) 0.31765(14) 0.0164(6) Uani 1 1 d . . .
C19 C 0.65330(16) -0.27904(17) 0.53523(15) 0.0186(6) Uani 1 1 d . . .
C20 C 0.80707(16) 0.47879(16) 0.36775(15) 0.0180(6) Uani 1 1 d . . .
C21 C 0.86187(17) 0.34673(19) 0.23955(16) 0.0257(7) Uani 1 1 d . . .
H21 H 0.8357 0.3775 0.2387 0.031 Uiso 1 1 calc R . .
C22 C 0.68639(16) 0.08481(17) 0.75693(14) 0.0174(6) Uani 1 1 d . . .
C23 C 0.66967(16) 0.37015(17) -0.09630(15) 0.0178(6) Uani 1 1 d . . .
C25 C 0.80758(16) 0.21248(17) 0.70462(14) 0.0172(6) Uani 1 1 d . . .
C26 C 0.66072(16) 0.35066(17) 0.31813(14) 0.0182(6) Uani 1 1 d . . .
C27 C 0.80308(18) 0.27980(18) 0.69964(17) 0.0265(7) Uani 1 1 d . . .
H27 H 0.7554 0.2804 0.6840 0.032 Uiso 1 1 calc R . .
C28 C 0.78473(18) 0.72053(17) 0.00078(15) 0.0228(7) Uani 1 1 d . . .
H28 H 0.7332 0.7136 0.0005 0.027 Uiso 1 1 calc R . .
C29 C 0.84006(16) 0.04819(16) 0.39226(14) 0.0164(6) Uani 1 1 d . . .
C30 C 0.6473(2) 0.35365(19) -0.16535(16) 0.0281(7) Uani 1 1 d . . .
H30 H 0.6632 0.3926 -0.1957 0.034 Uiso 1 1 calc R . .
C31 C 0.66276(18) 0.29330(18) 0.27945(16) 0.0257(7) Uani 1 1 d . . .
H31 H 0.6973 0.3048 0.2464 0.031 Uiso 1 1 calc R . .
C32 C 0.69040(17) 0.74594(18) 0.11829(15) 0.0228(7) Uani 1 1 d . . .
H32 H 0.7386 0.7883 0.1193 0.027 Uiso 1 1 calc R . .
C33 C 0.68683(16) 0.67435(16) 0.12284(14) 0.0175(6) Uani 1 1 d . . .
C34 C 0.65711(17) -0.15720(17) 0.40573(15) 0.0223(7) Uani 1 1 d . . .
H34 H 0.6361 -0.1425 0.4407 0.027 Uiso 1 1 calc R . .
C35 C 0.80934(16) 0.50327(17) -0.10563(14) 0.0180(6) Uani 1 1 d . . .
C36 C 0.80363(16) 0.15860(16) 0.45862(15) 0.0182(6) Uani 1 1 d . . .
C37 C 0.81993(16) 0.69821(16) 0.05485(15) 0.0177(6) Uani 1 1 d . . .
C38 C 0.70817(16) -0.18882(16) 0.42166(15) 0.0175(6) Uani 1 1 d . . .
C40 C 0.80259(16) -0.17954(16) 0.74225(14) 0.0170(6) Uani 1 1 d . . .
Cl7 Cl 0.58332(6) 0.39212(8) -0.33352(6) 0.0606(3) Uani 1 1 d . . .
Cl8 Cl 0.78443(7) 0.50605(7) -0.29881(6) 0.0695(4) Uani 1 1 d . . .
C3 C 0.63263(17) 0.20952(17) 0.10140(15) 0.0216(7) Uani 1 1 d . . .
H3 H 0.6290 0.2552 0.1076 0.026 Uiso 1 1 calc R . .
C4 C 0.9136(2) -0.0209(2) 0.38046(19) 0.0335(8) Uani 1 1 d . . .
H4 H 0.9289 -0.0583 0.3954 0.040 Uiso 1 1 calc R . .
C5 C 0.77092(17) -0.25088(17) 0.76717(15) 0.0215(7) Uani 1 1 d . . .
H5 H 0.7319 -0.2635 0.7961 0.026 Uiso 1 1 calc R . .
C6 C 0.80129(17) 0.46555(17) 0.43579(15) 0.0214(7) Uani 1 1 d . . .
H6 H 0.7528 0.4351 0.4499 0.026 Uiso 1 1 calc R . .
C7 C 0.91206(18) 0.4895(2) -0.15142(17) 0.0297(8) Uani 1 1 d . . .
H7 H 0.9363 0.4592 -0.1624 0.036 Uiso 1 1 calc R . .
C8 C 0.69552(18) 0.12865(19) 0.81512(16) 0.0255(7) Uani 1 1 d . . .
H8 H 0.7234 0.1814 0.8156 0.031 Uiso 1 1 calc R . .
C9 C 0.88727(17) -0.16065(18) 0.51545(16) 0.0246(7) Uani 1 1 d . . .
H9 H 0.8925 -0.1109 0.5163 0.030 Uiso 1 1 calc R . .
C10 C 0.85358(17) 0.18600(18) 0.51852(16) 0.0230(7) Uani 1 1 d . . .
H10 H 0.8714 0.1545 0.5429 0.028 Uiso 1 1 calc R . .
C11 C 0.66153(17) 0.53603(18) -0.15283(16) 0.0239(7) Uani 1 1 d . . .
H11 H 0.6868 0.5248 -0.1863 0.029 Uiso 1 1 calc R . .
C12 C 0.65387(15) 0.14360(16) 0.63138(14) 0.0154(6) Uani 1 1 d . . .
C1 C 0.83992(16) 0.30825(17) 0.03872(15) 0.0191(6) Uani 1 1 d . . .
C2 C 0.87800(17) 0.21180(18) 0.72632(16) 0.0233(7) Uani 1 1 d . . .
H2 H 0.8819 0.1659 0.7286 0.028 Uiso 1 1 calc R . .
C41 C 0.68310(18) 0.03708(19) 0.30605(16) 0.0282(8) Uani 1 1 d . . .
H41 H 0.7295 0.0498 0.2870 0.034 Uiso 1 1 calc R . .
C42 C 0.87719(19) 0.25871(18) 0.54250(17) 0.0284(7) Uani 1 1 d . . .
H42 H 0.9110 0.2771 0.5834 0.034 Uiso 1 1 calc R . .
C43 C 0.64622(18) 0.31245(18) -0.05238(16) 0.0251(7) Uani 1 1 d . . .
H43 H 0.6606 0.3230 -0.0050 0.030 Uiso 1 1 calc R . .
C44 C 0.70811(18) 0.14125(18) 0.09311(19) 0.0314(8) Uani 1 1 d . . .
H44 H 0.7567 0.1405 0.0945 0.038 Uiso 1 1 calc R . .
C45 C 0.84381(18) 0.45834(19) -0.12298(16) 0.0256(7) Uani 1 1 d . . .
H45 H 0.8207 0.4066 -0.1154 0.031 Uiso 1 1 calc R . .
C46 C 0.89433(17) 0.70594(18) 0.05320(16) 0.0236(7) Uani 1 1 d . . .
H46 H 0.9181 0.6890 0.0891 0.028 Uiso 1 1 calc R . .
C47 C 0.86098(17) -0.00754(17) 0.41334(17) 0.0239(7) Uani 1 1 d . . .
H47 H 0.8394 -0.0363 0.4501 0.029 Uiso 1 1 calc R . .
C48 C 0.69198(16) -0.15382(16) 0.80960(15) 0.0173(6) Uani 1 1 d . . .
C49 C 0.89160(18) 0.25596(18) 0.18456(18) 0.0274(7) Uani 1 1 d . . .
H49 H 0.8854 0.2245 0.1461 0.033 Uiso 1 1 calc R . .
C24 C 0.55907(17) 0.19094(18) 0.62195(16) 0.0237(7) Uani 1 1 d . . .
H24 H 0.5307 0.2124 0.6424 0.028 Uiso 1 1 calc R . .
C50 C 0.58517(18) -0.31787(19) 0.49311(17) 0.0275(7) Uani 1 1 d . . .
H50 H 0.5794 -0.3029 0.4484 0.033 Uiso 1 1 calc R . .
C51 C 0.80806(18) -0.29242(18) 0.51494(16) 0.0231(7) Uani 1 1 d . . .
H51 H 0.7590 -0.3333 0.5149 0.028 Uiso 1 1 calc R . .
C52 C 0.8250(2) 0.75293(19) -0.05281(16) 0.0289(8) Uani 1 1 d . . .
H52 H 0.8012 0.7690 -0.0894 0.035 Uiso 1 1 calc R . .
C53 C 0.66942(15) 0.51532(16) -0.08653(15) 0.0172(6) Uani 1 1 d . . .
C54 C 0.94469(17) 0.56433(19) -0.16371(16) 0.0270(7) Uani 1 1 d . . .
H54 H 0.9904 0.5851 -0.1847 0.032 Uiso 1 1 calc R . .
C55 C 0.61120(16) 0.17334(17) 0.66169(15) 0.0209(7) Uani 1 1 d . . .
H55 H 0.6178 0.1815 0.7095 0.025 Uiso 1 1 calc R . .
C56 C 0.61497(17) 0.01735(17) 0.40328(17) 0.0235(7) Uani 1 1 d . . .
H56 H 0.6146 0.0158 0.4509 0.028 Uiso 1 1 calc R . .
C57 C 0.64357(18) 0.13094(19) 0.56208(16) 0.0267(7) Uani 1 1 d . . .
H57 H 0.6730 0.1110 0.5412 0.032 Uiso 1 1 calc R . .
C39 C 0.83638(16) 0.71308(17) 0.20026(14) 0.0172(6) Uani 1 1 d . . .
C58 C 0.87855(18) 0.52222(18) 0.34683(16) 0.0260(7) Uani 1 1 d . . .
H58 H 0.8831 0.5311 0.3004 0.031 Uiso 1 1 calc R . .
C59 C 0.84845(16) -0.03812(16) 0.81681(14) 0.0167(6) Uani 1 1 d . . .
C60 C 0.93270(18) 0.82690(19) 0.25707(17) 0.0284(7) Uani 1 1 d . . .
H60 H 0.9671 0.8781 0.2558 0.034 Uiso 1 1 calc R . .
C61 C 0.70112(18) -0.14600(18) 0.87979(16) 0.0247(7) Uani 1 1 d . . .
H61 H 0.7498 -0.1146 0.9037 0.030 Uiso 1 1 calc R . .
C62 C 0.79597(18) -0.30282(18) 0.75000(16) 0.0259(7) Uani 1 1 d . . .
H62 H 0.7742 -0.3511 0.7671 0.031 Uiso 1 1 calc R . .
C63 C 0.87286(17) 0.09097(18) 0.33913(16) 0.0240(7) Uani 1 1 d . . .
H63 H 0.8607 0.1308 0.3261 0.029 Uiso 1 1 calc R . .
C64 C 0.64485(16) 0.00773(18) 0.75637(16) 0.0228(7) Uani 1 1 d . . .
H64 H 0.6375 -0.0223 0.7166 0.027 Uiso 1 1 calc R . .
C65 C 0.85277(18) -0.28505(19) 0.70787(16) 0.0265(7) Uani 1 1 d . . .
H65 H 0.8699 -0.3211 0.6962 0.032 Uiso 1 1 calc R . .
C66 C 0.83276(18) 0.67752(18) 0.26079(16) 0.0252(7) Uani 1 1 d . . .
H66 H 0.7985 0.6263 0.2622 0.030 Uiso 1 1 calc R . .
C67 C 0.8730(2) -0.3051(2) 0.51604(17) 0.0319(8) Uani 1 1 d . . .
H67 H 0.8684 -0.3546 0.5167 0.038 Uiso 1 1 calc R . .
C68 C 0.84418(17) 0.57954(18) -0.11606(16) 0.0238(7) Uani 1 1 d . . .
H68 H 0.8218 0.6107 -0.1029 0.029 Uiso 1 1 calc R . .
C69 C 0.93368(18) 0.73811(19) -0.00050(17) 0.0285(8) Uani 1 1 d . . .
H69 H 0.9847 0.7439 -0.0012 0.034 Uiso 1 1 calc R . .
C70 C 0.91112(18) 0.6094(2) -0.14554(17) 0.0291(8) Uani 1 1 d . . .
H70 H 0.9343 0.6611 -0.1534 0.035 Uiso 1 1 calc R . .
C71 C 0.54817(18) 0.17749(19) 0.55301(17) 0.0290(8) Uani 1 1 d . . .
H71 H 0.5117 0.1889 0.5260 0.035 Uiso 1 1 calc R . .
C72 C 0.92314(18) 0.07533(19) 0.30549(17) 0.0284(8) Uani 1 1 d . . .
H72 H 0.9437 0.1030 0.2679 0.034 Uiso 1 1 calc R . .
C73 C 0.6021(2) 0.2810(2) -0.19008(18) 0.0333(8) Uani 1 1 d . . .
H73 H 0.5862 0.2703 -0.2373 0.040 Uiso 1 1 calc R . .
C74 C 0.88454(18) -0.21480(19) 0.68274(16) 0.0255(7) Uani 1 1 d . . .
H74 H 0.9234 -0.2028 0.6538 0.031 Uiso 1 1 calc R . .
C75 C 0.61007(18) 0.4898(2) 0.27037(16) 0.0295(8) Uani 1 1 d . . .
H75 H 0.5948 0.4536 0.2337 0.035 Uiso 1 1 calc R . .
C76 C 0.7390(2) -0.2095(2) 0.37001(16) 0.0294(8) Uani 1 1 d . . .
H76 H 0.7739 -0.2307 0.3804 0.035 Uiso 1 1 calc R . .
C77 C 0.56662(18) 0.14229(19) 0.09251(18) 0.0305(8) Uani 1 1 d . . .
H77 H 0.5178 0.1422 0.0930 0.037 Uiso 1 1 calc R . .
C78 C 0.57026(19) 0.5319(2) 0.27712(17) 0.0336(8) Uani 1 1 d . . .
H78 H 0.5275 0.5246 0.2449 0.040 Uiso 1 1 calc R . .
C79 C 0.8791(2) 0.7169(2) 0.31878(16) 0.0316(8) Uani 1 1 d . . .
H79 H 0.8764 0.6926 0.3600 0.038 Uiso 1 1 calc R . .
C80 C 0.7785(2) 0.20550(19) 0.42298(17) 0.0293(8) Uani 1 1 d . . .
H80 H 0.7447 0.1876 0.3820 0.035 Uiso 1 1 calc R . .
C81 C 0.86610(18) 0.49657(18) 0.48309(16) 0.0251(7) Uani 1 1 d . . .
H81 H 0.8619 0.4879 0.5296 0.030 Uiso 1 1 calc R . .
C82 C 0.92918(18) 0.7915(2) 0.31692(17) 0.0307(8) Uani 1 1 d . . .
H82 H 0.9612 0.8184 0.3568 0.037 Uiso 1 1 calc R . .
C83 C 0.94185(18) 0.2784(2) 0.74436(16) 0.0293(8) Uani 1 1 d . . .
H83 H 0.9896 0.2781 0.7600 0.035 Uiso 1 1 calc R . .
C84 C 0.5604(2) 0.2594(2) 0.37375(18) 0.0351(9) Uani 1 1 d . . .
H84 H 0.5247 0.2475 0.4057 0.042 Uiso 1 1 calc R . .
C85 C 0.93710(18) 0.34548(19) 0.73990(16) 0.0283(8) Uani 1 1 d . . .
H85 H 0.9815 0.3910 0.7524 0.034 Uiso 1 1 calc R . .
C86 C 0.88636(17) 0.78805(17) 0.19910(16) 0.0236(7) Uani 1 1 d . . .
H86 H 0.8887 0.8128 0.1582 0.028 Uiso 1 1 calc R . .
C87 C 0.86792(19) 0.34653(19) 0.71735(18) 0.0320(8) Uani 1 1 d . . .
H87 H 0.8647 0.3927 0.7140 0.038 Uiso 1 1 calc R . .
C88 C 0.6232(2) 0.7545(2) 0.11238(17) 0.0298(8) Uani 1 1 d . . .
H88 H 0.6251 0.8028 0.1080 0.036 Uiso 1 1 calc R . .
C89 C 0.90509(18) 0.37540(18) 0.03690(16) 0.0246(7) Uani 1 1 d . . .
H89 H 0.9192 0.4135 0.0717 0.029 Uiso 1 1 calc R . .
C90 C 0.60896(19) 0.33296(19) 0.36558(16) 0.0287(8) Uani 1 1 d . . .
H90 H 0.6071 0.3716 0.3924 0.034 Uiso 1 1 calc R . .
C91 C 0.61985(17) -0.19944(18) 0.77496(18) 0.0273(7) Uani 1 1 d . . .
H91 H 0.6128 -0.2046 0.7269 0.033 Uiso 1 1 calc R . .
C92 C 0.63727(19) -0.14747(18) 0.33928(16) 0.0278(7) Uani 1 1 d . . .
H92 H 0.6025 -0.1261 0.3285 0.033 Uiso 1 1 calc R . .
C93 C 0.8991(2) 0.76188(18) -0.05331(17) 0.0282(7) Uani 1 1 d . . .
H93 H 0.9265 0.7844 -0.0900 0.034 Uiso 1 1 calc R . .
C94 C 0.69387(19) 0.55293(19) 0.37102(17) 0.0283(7) Uani 1 1 d . . .
H94 H 0.7365 0.5605 0.4036 0.034 Uiso 1 1 calc R . .
C95 C 0.63140(17) 0.53172(18) -0.03803(16) 0.0232(7) Uani 1 1 d . . .
H95 H 0.6366 0.5180 0.0072 0.028 Uiso 1 1 calc R . .
C96 C 0.92864(19) 0.3320(2) -0.06637(16) 0.0291(8) Uani 1 1 d . . .
H96 H 0.9592 0.3400 -0.1022 0.035 Uiso 1 1 calc R . .
C97 C 0.57879(18) 0.58898(18) -0.12107(19) 0.0307(8) Uani 1 1 d . . .
H97 H 0.5479 0.6143 -0.1328 0.037 Uiso 1 1 calc R . .
C98 C 0.62422(18) 0.0186(2) 0.87161(17) 0.0301(8) Uani 1 1 d . . .
H98 H 0.6036 -0.0040 0.9112 0.036 Uiso 1 1 calc R . .
C99 C 0.6019(2) 0.23955(19) -0.07779(18) 0.0323(8) Uani 1 1 d . . .
H99 H 0.5865 0.2001 -0.0478 0.039 Uiso 1 1 calc R . .
C100 C 0.90175(18) -0.05367(18) 0.85730(17) 0.0269(7) Uani 1 1 d . . .
H100 H 0.9001 -0.1020 0.8543 0.032 Uiso 1 1 calc R . .
C101 C 0.95176(18) -0.1735(2) 0.51578(17) 0.0317(8) Uani 1 1 d . . .
H101 H 1.0010 -0.1328 0.5157 0.038 Uiso 1 1 calc R . .
C102 C 0.61645(17) 0.61305(18) 0.12365(16) 0.0254(7) Uani 1 1 d . . .
H102 H 0.6138 0.5644 0.1274 0.031 Uiso 1 1 calc R . .
C103 C 0.8517(2) 0.30457(19) 0.50718(19) 0.0345(8) Uani 1 1 d . . .
H103 H 0.8679 0.3545 0.5240 0.041 Uiso 1 1 calc R . .
C104 C 0.54755(18) 0.00063(19) 0.36055(19) 0.0305(8) Uani 1 1 d . . .
H104 H 0.5010 -0.0115 0.3791 0.037 Uiso 1 1 calc R . .
C105 C 0.5799(2) 0.22410(19) -0.14647(18) 0.0333(8) Uani 1 1 d . . .
H105 H 0.5495 0.1740 -0.1637 0.040 Uiso 1 1 calc R . .
C106 C 0.93694(19) 0.54021(19) 0.46244(17) 0.0299(8) Uani 1 1 d . . .
H106 H 0.9813 0.5618 0.4949 0.036 Uiso 1 1 calc R . .
C107 C 0.56358(19) 0.20308(19) 0.33568(18) 0.0319(8) Uani 1 1 d . . .
H107 H 0.5303 0.1525 0.3418 0.038 Uiso 1 1 calc R . .
C108 C 0.58618(18) 0.56803(19) -0.05610(18) 0.0293(8) Uani 1 1 d . . .
H108 H 0.5599 0.5786 -0.0232 0.035 Uiso 1 1 calc R . .
C109 C 0.66405(19) 0.0952(2) 0.87197(17) 0.0325(8) Uani 1 1 d . . .
H109 H 0.6699 0.1251 0.9114 0.039 Uiso 1 1 calc R . .
C110 C 0.94932(19) 0.38675(19) -0.01552(17) 0.0300(8) Uani 1 1 d . . .
H110 H 0.9940 0.4324 -0.0164 0.036 Uiso 1 1 calc R . .
C111 C 0.96032(19) 0.0713(2) 0.90570(18) 0.0337(8) Uani 1 1 d . . .
H111 H 0.9988 0.1091 0.9362 0.040 Uiso 1 1 calc R . .
C112 C 0.61405(17) -0.02532(19) 0.81417(17) 0.0273(7) Uani 1 1 d . . .
H112 H 0.5861 -0.0780 0.8141 0.033 Uiso 1 1 calc R . .
C113 C 0.94355(18) 0.01950(19) 0.32639(18) 0.0309(8) Uani 1 1 d . . .
H113 H 0.9784 0.0091 0.3033 0.037 Uiso 1 1 calc R . .
C114 C 0.57128(18) 0.07607(19) 0.08299(18) 0.0312(8) Uani 1 1 d . . .
H114 H 0.5257 0.0306 0.0763 0.037 Uiso 1 1 calc R . .
C115 C 0.9443(2) -0.2456(2) 0.51620(17) 0.0342(8) Uani 1 1 d . . .
H115 H 0.9886 -0.2544 0.5166 0.041 Uiso 1 1 calc R . .
C116 C 0.6606(2) -0.3018(2) 0.59983(18) 0.0369(9) Uani 1 1 d . . .
H116 H 0.7071 -0.2757 0.6291 0.044 Uiso 1 1 calc R . .
C117 C 0.6391(2) -0.1841(2) 0.91476(18) 0.0324(8) Uani 1 1 d . . .
H117 H 0.6453 -0.1788 0.9628 0.039 Uiso 1 1 calc R . .
C118 C 0.95730(19) 0.0011(2) 0.90206(18) 0.0341(8) Uani 1 1 d . . .
H118 H 0.9934 -0.0097 0.9303 0.041 Uiso 1 1 calc R . .
C119 C 0.61485(19) 0.21979(18) 0.28880(18) 0.0302(8) Uani 1 1 d . . .
H119 H 0.6172 0.1808 0.2629 0.036 Uiso 1 1 calc R . .
C120 C 0.64188(19) 0.07525(19) 0.08309(19) 0.0324(8) Uani 1 1 d . . .
H120 H 0.6448 0.0293 0.0763 0.039 Uiso 1 1 calc R . .
C121 C 0.81956(19) 0.2535(2) -0.01255(18) 0.0345(9) Uani 1 1 d . . .
H121 H 0.7753 0.2075 -0.0117 0.041 Uiso 1 1 calc R . .
C122 C 0.94312(19) 0.5523(2) 0.39499(18) 0.0330(8) Uani 1 1 d . . .
H122 H 0.9921 0.5816 0.3811 0.040 Uiso 1 1 calc R . .
C123 C 0.55878(19) -0.23693(19) 0.8109(2) 0.0341(8) Uani 1 1 d . . .
H123 H 0.5097 -0.2681 0.7874 0.041 Uiso 1 1 calc R . .
C124 C 0.9104(2) 0.3485(2) 0.29644(18) 0.0358(9) Uani 1 1 d . . .
H124 H 0.9171 0.3800 0.3350 0.043 Uiso 1 1 calc R . .
C125 C 0.94012(19) 0.2584(2) 0.24119(19) 0.0346(9) Uani 1 1 d . . .
H125 H 0.9674 0.2287 0.2419 0.042 Uiso 1 1 calc R . .
C126 C 0.55344(19) 0.6933(2) 0.11283(19) 0.0358(9) Uani 1 1 d . . .
H126 H 0.5075 0.6997 0.1089 0.043 Uiso 1 1 calc R . .
C127 C 0.6677(2) -0.1686(2) 0.28822(17) 0.0370(9) Uani 1 1 d . . .
H127 H 0.6534 -0.1623 0.2424 0.044 Uiso 1 1 calc R . .
C128 C 0.85159(19) 0.03219(19) 0.82066(18) 0.0319(8) Uani 1 1 d . . .
H128 H 0.8154 0.0432 0.7927 0.038 Uiso 1 1 calc R . .
C129 C 0.5919(2) 0.5843(2) 0.33012(18) 0.0323(8) Uani 1 1 d . . .
H129 H 0.5646 0.6135 0.3342 0.039 Uiso 1 1 calc R . .
C130 C 0.54987(19) 0.6234(2) 0.11896(19) 0.0375(9) Uani 1 1 d . . .
H130 H 0.5016 0.5817 0.1200 0.045 Uiso 1 1 calc R . .
C131 C 0.7188(2) -0.1991(2) 0.30351(18) 0.0427(10) Uani 1 1 d . . .
H131 H 0.7402 -0.2129 0.2683 0.051 Uiso 1 1 calc R . .
C132 C 0.5685(2) -0.22951(19) 0.8803(2) 0.0351(9) Uani 1 1 d . . .
H132 H 0.5262 -0.2559 0.9046 0.042 Uiso 1 1 calc R . .
C133 C 0.9491(2) 0.3042(2) 0.29720(19) 0.0383(9) Uani 1 1 d . . .
H133 H 0.9821 0.3053 0.3364 0.046 Uiso 1 1 calc R . .
C134 C 0.8641(2) 0.2661(2) -0.06558(19) 0.0391(9) Uani 1 1 d . . .
H134 H 0.8498 0.2289 -0.1012 0.047 Uiso 1 1 calc R . .
C135 C 0.61628(18) 0.57323(19) -0.16938(18) 0.0300(8) Uani 1 1 d . . .
H135 H 0.6111 0.5879 -0.2142 0.036 Uiso 1 1 calc R . .
C136 C 0.54773(19) 0.0015(2) 0.29160(19) 0.0359(9) Uani 1 1 d . . .
H136 H 0.5013 -0.0100 0.2628 0.043 Uiso 1 1 calc R . .
C137 C 0.5898(2) 0.1475(2) 0.52293(17) 0.0350(9) Uani 1 1 d . . .
H137 H 0.5819 0.1381 0.4752 0.042 Uiso 1 1 calc R . .
C138 C 0.8032(2) 0.2788(2) 0.4480(2) 0.0387(9) Uani 1 1 d . . .
H138 H 0.7863 0.3111 0.4238 0.046 Uiso 1 1 calc R . .
C139 C 0.5331(2) -0.4002(2) 0.5797(2) 0.0403(9) Uani 1 1 d . . .
H139 H 0.4918 -0.4416 0.5951 0.048 Uiso 1 1 calc R . .
C140 C 0.9078(2) 0.0870(2) 0.8654(2) 0.0395(9) Uani 1 1 d . . .
H140 H 0.9100 0.1356 0.8682 0.047 Uiso 1 1 calc R . .
C141 C 0.5256(2) -0.3783(2) 0.51593(19) 0.0386(9) Uani 1 1 d . . .
H141 H 0.4791 -0.4047 0.4868 0.046 Uiso 1 1 calc R . .
C142 C 0.6151(2) 0.0191(2) 0.26411(18) 0.0392(9) Uani 1 1 d . . .
H142 H 0.6149 0.0189 0.2164 0.047 Uiso 1 1 calc R . .
C143 C 0.6529(2) 0.5941(2) 0.37701(19) 0.0400(9) Uani 1 1 d . . .
H143 H 0.6672 0.6297 0.4141 0.048 Uiso 1 1 calc R . .
C144 C 0.6007(2) -0.3623(2) 0.6223(2) 0.0492(11) Uani 1 1 d . . .
H144 H 0.6061 -0.3778 0.6668 0.059 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O11 Dy1 O5 91.52(7) . .
O11 Dy1 O9 172.71(7) . .
O5 Dy1 O9 92.18(7) . .
O11 Dy1 O7 89.34(7) . .
O5 Dy1 O7 177.31(7) . .
O9 Dy1 O7 87.25(7) . .
O11 Dy1 Cl5 95.87(5) . .
O5 Dy1 Cl5 89.44(5) . .
O9 Dy1 Cl5 90.45(5) . .
O7 Dy1 Cl5 87.93(5) . .
O11 Dy1 Cl3 85.83(5) . .
O5 Dy1 Cl3 92.22(5) . .
O9 Dy1 Cl3 87.75(5) . .
O7 Dy1 Cl3 90.38(5) . .
Cl5 Dy1 Cl3 177.59(3) . .
O8 Dy2 O10 89.31(7) . .
O8 Dy2 O6 178.62(7) . .
O10 Dy2 O6 91.50(7) . .
O8 Dy2 O12 88.64(7) . .
O10 Dy2 O12 177.90(7) . .
O6 Dy2 O12 90.54(7) . .
O8 Dy2 Cl6 91.36(6) . .
O10 Dy2 Cl6 90.36(5) . .
O6 Dy2 Cl6 87.52(5) . .
O12 Dy2 Cl6 89.22(5) . .
O8 Dy2 Cl4 90.40(6) . .
O10 Dy2 Cl4 90.87(6) . .
O6 Dy2 Cl4 90.70(5) . .
O12 Dy2 Cl4 89.62(5) . .
Cl6 Dy2 Cl4 177.87(3) . .
O5 P7 C33 109.12(13) . .
O5 P7 C37 113.59(13) . .
C33 P7 C37 108.37(14) . .
O5 P7 C39 110.66(13) . .
C33 P7 C39 108.55(13) . .
C37 P7 C39 106.41(13) . .
O9 P8 C26 111.01(13) . .
O9 P8 C18 111.99(12) . .
C26 P8 C18 107.21(13) . .
O9 P8 C20 109.04(12) . .
C26 P8 C20 109.89(14) . .
C18 P8 C20 107.62(14) . .
O10 P9 C59 111.43(13) . .
O10 P9 C48 111.19(13) . .
C59 P9 C48 108.03(13) . .
O10 P9 C40 111.82(13) . .
C59 P9 C40 107.83(13) . .
C48 P9 C40 106.31(14) . .
O6 P10 C12 112.38(13) . .
O6 P10 C22 110.34(13) . .
C12 P10 C22 107.23(13) . .
O6 P10 C25 110.55(12) . .
C12 P10 C25 107.93(13) . .
C22 P10 C25 108.26(14) . .
O11 P11 C35 112.37(12) . .
O11 P11 C23 110.96(13) . .
C35 P11 C23 107.18(14) . .
O11 P11 C53 110.94(13) . .
C35 P11 C53 107.76(14) . .
C23 P11 C53 107.41(13) . .
O8 P12 C38 110.90(13) . .
O8 P12 C19 111.92(13) . .
C38 P12 C19 107.91(14) . .
O8 P12 C17 109.61(13) . .
C38 P12 C17 107.45(13) . .
C19 P12 C17 108.92(14) . .
O7 P13 C1 112.48(13) . .
O7 P13 C16 108.86(13) . .
C1 P13 C16 109.82(14) . .
O7 P13 C14 110.04(13) . .
C1 P13 C14 106.25(13) . .
C16 P13 C14 109.33(14) . .
Cl2 Fe15 Cl14 107.90(4) . .
Cl2 Fe15 Cl1 109.89(5) . .
Cl14 Fe15 Cl1 109.35(4) . .
Cl2 Fe15 Cl18 107.82(5) . .
Cl14 Fe15 Cl18 112.67(4) . .
Cl1 Fe15 Cl18 109.16(4) . .
Cl19 Fe16 Cl8 109.74(5) . .
Cl19 Fe16 Cl17 107.75(4) . .
Cl8 Fe16 Cl17 111.77(5) . .
Cl19 Fe16 Cl7 109.51(5) . .
Cl8 Fe16 Cl7 108.47(6) . .
Cl17 Fe16 Cl7 109.57(4) . .
O12 P20 C29 110.78(13) . .
O12 P20 C36 109.55(13) . .
C29 P20 C36 109.48(13) . .
O12 P20 C13 110.83(13) . .
C29 P20 C13 109.43(13) . .
C36 P20 C13 106.68(14) . .
P7 O5 Dy1 160.99(12) . .
P10 O6 Dy2 163.95(13) . .
P13 O7 Dy1 166.57(12) . .
P12 O8 Dy2 164.23(13) . .
P8 O9 Dy1 162.16(12) . .
P9 O10 Dy2 162.14(13) . .
P11 O11 Dy1 171.54(12) . .
P20 O12 Dy2 166.35(13) . .
C41 C13 C56 119.9(3) . .
C41 C13 P20 123.6(2) . .
C56 C13 P20 116.5(2) . .
C49 C14 C21 119.6(3) . .
C49 C14 P13 121.3(2) . .
C21 C14 P13 119.1(2) . .
C74 C15 C40 119.9(3) . .
C74 C15 H15 120.1 . .
C40 C15 H15 120.1 . .
C3 C16 C44 119.3(3) . .
C3 C16 P13 117.9(2) . .
C44 C16 P13 122.8(2) . .
C51 C17 C9 119.2(3) . .
C51 C17 P12 122.3(2) . .
C9 C17 P12 118.5(2) . .
C94 C18 C75 119.7(3) . .
C94 C18 P8 122.7(2) . .
C75 C18 P8 117.5(2) . .
C116 C19 C50 119.0(3) . .
C116 C19 P12 118.6(2) . .
C50 C19 P12 122.4(2) . .
C6 C20 C58 119.9(3) . .
C6 C20 P8 122.0(2) . .
C58 C20 P8 118.0(2) . .
C124 C21 C14 119.8(3) . .
C124 C21 H21 120.1 . .
C14 C21 H21 120.1 . .
C64 C22 C8 119.7(3) . .
C64 C22 P10 118.2(2) . .
C8 C22 P10 122.1(2) . .
C30 C23 C43 119.2(3) . .
C30 C23 P11 120.8(2) . .
C43 C23 P11 120.0(2) . .
C27 C25 C2 119.8(3) . .
C27 C25 P10 121.8(2) . .
C2 C25 P10 118.4(2) . .
C31 C26 C90 119.1(3) . .
C31 C26 P8 119.5(2) . .
C90 C26 P8 121.4(2) . .
C25 C27 C87 120.3(3) . .
C25 C27 H27 119.9 . .
C87 C27 H27 119.9 . .
C52 C28 C37 119.8(3) . .
C52 C28 H28 120.1 . .
C37 C28 H28 120.1 . .
C47 C29 C63 119.8(3) . .
C47 C29 P20 118.4(2) . .
C63 C29 P20 121.8(2) . .
C73 C30 C23 120.4(3) . .
C73 C30 H30 119.8 . .
C23 C30 H30 119.8 . .
C119 C31 C26 120.3(3) . .
C119 C31 H31 119.8 . .
C26 C31 H31 119.8 . .
C88 C32 C33 119.5(3) . .
C88 C32 H32 120.3 . .
C33 C32 H32 120.3 . .
C102 C33 C32 119.9(3) . .
C102 C33 P7 118.9(2) . .
C32 C33 P7 121.1(2) . .
C92 C34 C38 119.9(3) . .
C92 C34 H34 120.0 . .
C38 C34 H34 120.0 . .
C45 C35 C68 119.8(3) . .
C45 C35 P11 119.9(2) . .
C68 C35 P11 120.1(2) . .
C80 C36 C10 119.4(3) . .
C80 C36 P20 122.5(2) . .
C10 C36 P20 117.9(2) . .
C28 C37 C46 119.4(3) . .
C28 C37 P7 121.7(2) . .
C46 C37 P7 118.9(2) . .
C76 C38 C34 119.4(3) . .
C76 C38 P12 122.1(2) . .
C34 C38 P12 118.5(2) . .
C15 C40 C5 119.2(3) . .
C15 C40 P9 118.3(2) . .
C5 C40 P9 122.4(2) . .
C77 C3 C16 119.4(3) . .
C77 C3 H3 120.3 . .
C16 C3 H3 120.3 . .
C113 C4 C47 120.3(3) . .
C113 C4 H4 119.8 . .
C47 C4 H4 119.8 . .
C62 C5 C40 120.3(3) . .
C62 C5 H5 119.8 . .
C40 C5 H5 119.8 . .
C81 C6 C20 120.2(3) . .
C81 C6 H6 119.9 . .
C20 C6 H6 119.9 . .
C54 C7 C45 120.1(3) . .
C54 C7 H7 120.0 . .
C45 C7 H7 120.0 . .
C109 C8 C22 119.9(3) . .
C109 C8 H8 120.0 . .
C22 C8 H8 120.0 . .
C101 C9 C17 120.5(3) . .
C101 C9 H9 119.7 . .
C17 C9 H9 119.7 . .
C42 C10 C36 120.2(3) . .
C42 C10 H10 119.9 . .
C36 C10 H10 119.9 . .
C135 C11 C53 119.4(3) . .
C135 C11 H11 120.3 . .
C53 C11 H11 120.3 . .
C57 C12 C55 120.1(3) . .
C57 C12 P10 119.2(2) . .
C55 C12 P10 120.7(2) . .
C121 C1 C89 119.4(3) . .
C121 C1 P13 123.7(2) . .
C89 C1 P13 116.8(2) . .
C83 C2 C25 119.4(3) . .
C83 C2 H2 120.3 . .
C25 C2 H2 120.3 . .
C13 C41 C142 120.3(3) . .
C13 C41 H41 119.9 . .
C142 C41 H41 119.9 . .
C103 C42 C10 120.0(3) . .
C103 C42 H42 120.0 . .
C10 C42 H42 120.0 . .
C99 C43 C23 120.0(3) . .
C99 C43 H43 120.0 . .
C23 C43 H43 120.0 . .
C120 C44 C16 120.4(3) . .
C120 C44 H44 119.8 . .
C16 C44 H44 119.8 . .
C7 C45 C35 119.7(3) . .
C7 C45 H45 120.1 . .
C35 C45 H45 120.1 . .
C69 C46 C37 120.1(3) . .
C69 C46 H46 119.9 . .
C37 C46 H46 119.9 . .
C4 C47 C29 119.6(3) . .
C4 C47 H47 120.2 . .
C29 C47 H47 120.2 . .
C61 C48 C91 119.5(3) . .
C61 C48 P9 121.4(2) . .
C91 C48 P9 119.0(2) . .
C125 C49 C14 120.2(3) . .
C125 C49 H49 119.9 . .
C14 C49 H49 119.9 . .
C71 C24 C55 120.1(3) . .
C71 C24 H24 119.9 . .
C55 C24 H24 119.9 . .
C141 C50 C19 120.2(3) . .
C141 C50 H50 119.9 . .
C19 C50 H50 119.9 . .
C17 C51 C67 120.1(3) . .
C17 C51 H51 119.9 . .
C67 C51 H51 119.9 . .
C93 C52 C28 120.3(3) . .
C93 C52 H52 119.8 . .
C28 C52 H52 119.8 . .
C95 C53 C11 119.7(3) . .
C95 C53 P11 119.3(2) . .
C11 C53 P11 121.0(2) . .
C7 C54 C70 120.3(3) . .
C7 C54 H54 119.9 . .
C70 C54 H54 119.9 . .
C24 C55 C12 119.7(3) . .
C24 C55 H55 120.2 . .
C12 C55 H55 120.2 . .
C104 C56 C13 119.1(3) . .
C104 C56 H56 120.4 . .
C13 C56 H56 120.4 . .
C12 C57 C137 119.5(3) . .
C12 C57 H57 120.2 . .
C137 C57 H57 120.2 . .
C86 C39 C66 119.3(3) . .
C86 C39 P7 122.7(2) . .
C66 C39 P7 117.9(2) . .
C122 C58 C20 119.1(3) . .
C122 C58 H58 120.5 . .
C20 C58 H58 120.5 . .
C128 C59 C100 119.8(3) . .
C128 C59 P9 118.9(2) . .
C100 C59 P9 121.2(2) . .
C86 C60 C82 120.2(3) . .
C86 C60 H60 119.9 . .
C82 C60 H60 119.9 . .
C117 C61 C48 119.9(3) . .
C117 C61 H61 120.1 . .
C48 C61 H61 120.1 . .
C5 C62 C65 120.3(3) . .
C5 C62 H62 119.8 . .
C65 C62 H62 119.8 . .
C72 C63 C29 119.8(3) . .
C72 C63 H63 120.1 . .
C29 C63 H63 120.1 . .
C22 C64 C112 119.9(3) . .
C22 C64 H64 120.1 . .
C112 C64 H64 120.1 . .
C74 C65 C62 120.1(3) . .
C74 C65 H65 120.0 . .
C62 C65 H65 120.0 . .
C79 C66 C39 120.0(3) . .
C79 C66 H66 120.0 . .
C39 C66 H66 120.0 . .
C115 C67 C51 119.9(3) . .
C115 C67 H67 120.1 . .
C51 C67 H67 120.1 . .
C70 C68 C35 119.8(3) . .
C70 C68 H68 120.1 . .
C35 C68 H68 120.1 . .
C46 C69 C93 120.2(3) . .
C46 C69 H69 119.9 . .
C93 C69 H69 119.9 . .
C68 C70 C54 120.2(3) . .
C68 C70 H70 119.9 . .
C54 C70 H70 119.9 . .
C24 C71 C137 120.3(3) . .
C24 C71 H71 119.9 . .
C137 C71 H71 119.9 . .
C63 C72 C113 120.1(3) . .
C63 C72 H72 119.9 . .
C113 C72 H72 119.9 . .
C105 C73 C30 120.1(3) . .
C105 C73 H73 120.0 . .
C30 C73 H73 120.0 . .
C65 C74 C15 120.2(3) . .
C65 C74 H74 119.9 . .
C15 C74 H74 119.9 . .
C78 C75 C18 119.5(3) . .
C78 C75 H75 120.2 . .
C18 C75 H75 120.2 . .
C131 C76 C38 120.0(3) . .
C131 C76 H76 120.0 . .
C38 C76 H76 120.0 . .
C114 C77 C3 120.6(3) . .
C114 C77 H77 119.7 . .
C3 C77 H77 119.7 . .
C129 C78 C75 120.6(3) . .
C129 C78 H78 119.7 . .
C75 C78 H78 119.7 . .
C66 C79 C82 120.2(3) . .
C66 C79 H79 119.9 . .
C82 C79 H79 119.9 . .
C138 C80 C36 119.5(3) . .
C138 C80 H80 120.3 . .
C36 C80 H80 120.3 . .
C106 C81 C6 119.9(3) . .
C106 C81 H81 120.0 . .
C6 C81 H81 120.0 . .
C60 C82 C79 119.9(3) . .
C60 C82 H82 120.0 . .
C79 C82 H82 120.0 . .
C2 C83 C85 120.7(3) . .
C2 C83 H83 119.6 . .
C85 C83 H83 119.6 . .
C107 C84 C90 120.2(3) . .
C107 C84 H84 119.9 . .
C90 C84 H84 119.9 . .
C83 C85 C87 120.1(3) . .
C83 C85 H85 120.0 . .
C87 C85 H85 120.0 . .
C60 C86 C39 120.4(3) . .
C60 C86 H86 119.8 . .
C39 C86 H86 119.8 . .
C85 C87 C27 119.7(3) . .
C85 C87 H87 120.1 . .
C27 C87 H87 120.1 . .
C126 C88 C32 120.2(3) . .
C126 C88 H88 119.9 . .
C32 C88 H88 119.9 . .
C110 C89 C1 120.1(3) . .
C110 C89 H89 120.0 . .
C1 C89 H89 120.0 . .
C84 C90 C26 120.1(3) . .
C84 C90 H90 119.9 . .
C26 C90 H90 119.9 . .
C123 C91 C48 119.6(3) . .
C123 C91 H91 120.2 . .
C48 C91 H91 120.2 . .
C34 C92 C127 120.3(3) . .
C34 C92 H92 119.9 . .
C127 C92 H92 119.9 . .
C52 C93 C69 120.1(3) . .
C52 C93 H93 120.0 . .
C69 C93 H93 120.0 . .
C18 C94 C143 119.8(3) . .
C18 C94 H94 120.1 . .
C143 C94 H94 120.1 . .
C108 C95 C53 119.7(3) . .
C108 C95 H95 120.2 . .
C53 C95 H95 120.2 . .
C134 C96 C110 120.4(3) . .
C134 C96 H96 119.8 . .
C110 C96 H96 119.8 . .
C108 C97 C135 120.0(3) . .
C108 C97 H97 120.0 . .
C135 C97 H97 120.0 . .
C109 C98 C112 120.5(3) . .
C109 C98 H98 119.8 . .
C112 C98 H98 119.8 . .
C105 C99 C43 120.2(3) . .
C105 C99 H99 119.9 . .
C43 C99 H99 119.9 . .
C118 C100 C59 120.0(3) . .
C118 C100 H100 120.0 . .
C59 C100 H100 120.0 . .
C115 C101 C9 119.7(3) . .
C115 C101 H101 120.1 . .
C9 C101 H101 120.1 . .
C33 C102 C130 119.4(3) . .
C33 C102 H102 120.3 . .
C130 C102 H102 120.3 . .
C138 C103 C42 120.6(3) . .
C138 C103 H103 119.7 . .
C42 C103 H103 119.7 . .
C136 C104 C56 120.5(3) . .
C136 C104 H104 119.7 . .
C56 C104 H104 119.7 . .
C73 C105 C99 120.1(3) . .
C73 C105 H105 119.9 . .
C99 C105 H105 119.9 . .
C122 C106 C81 120.1(3) . .
C122 C106 H106 120.0 . .
C81 C106 H106 120.0 . .
C84 C107 C119 120.3(3) . .
C84 C107 H107 119.9 . .
C119 C107 H107 119.9 . .
C97 C108 C95 120.8(3) . .
C97 C108 H108 119.6 . .
C95 C108 H108 119.6 . .
C98 C109 C8 120.2(3) . .
C98 C109 H109 119.9 . .
C8 C109 H109 119.9 . .
C96 C110 C89 120.1(3) . .
C96 C110 H110 119.9 . .
C89 C110 H110 119.9 . .
C140 C111 C118 120.1(3) . .
C140 C111 H111 119.9 . .
C118 C111 H111 119.9 . .
C98 C112 C64 119.9(3) . .
C98 C112 H112 120.1 . .
C64 C112 H112 120.1 . .
C4 C113 C72 120.2(3) . .
C4 C113 H113 119.9 . .
C72 C113 H113 119.9 . .
C77 C114 C120 120.3(3) . .
C77 C114 H114 119.8 . .
C120 C114 H114 119.8 . .
C101 C115 C67 120.6(3) . .
C101 C115 H115 119.7 . .
C67 C115 H115 119.7 . .
C19 C116 C144 120.5(3) . .
C19 C116 H116 119.8 . .
C144 C116 H116 119.8 . .
C132 C117 C61 120.2(3) . .
C132 C117 H117 119.9 . .
C61 C117 H117 119.9 . .
C111 C118 C100 120.0(3) . .
C111 C118 H118 120.0 . .
C100 C118 H118 120.0 . .
C107 C119 C31 119.9(3) . .
C107 C119 H119 120.0 . .
C31 C119 H119 120.0 . .
C44 C120 C114 119.9(3) . .
C44 C120 H120 120.1 . .
C114 C120 H120 120.1 . .
C1 C121 C134 119.9(3) . .
C1 C121 H121 120.1 . .
C134 C121 H121 120.1 . .
C106 C122 C58 120.8(3) . .
C106 C122 H122 119.6 . .
C58 C122 H122 119.6 . .
C132 C123 C91 120.5(3) . .
C132 C123 H123 119.8 . .
C91 C123 H123 119.8 . .
C21 C124 C133 120.0(3) . .
C21 C124 H124 120.0 . .
C133 C124 H124 120.0 . .
C49 C125 C133 120.0(3) . .
C49 C125 H125 120.0 . .
C133 C125 H125 120.0 . .
C130 C126 C88 120.5(3) . .
C130 C126 H126 119.8 . .
C88 C126 H126 119.8 . .
C92 C127 C131 120.2(3) . .
C92 C127 H127 119.9 . .
C131 C127 H127 119.9 . .
C59 C128 C140 119.8(3) . .
C59 C128 H128 120.1 . .
C140 C128 H128 120.1 . .
C143 C129 C78 119.7(3) . .
C143 C129 H129 120.2 . .
C78 C129 H129 120.2 . .
C126 C130 C102 120.5(3) . .
C126 C130 H130 119.8 . .
C102 C130 H130 119.8 . .
C127 C131 C76 120.1(3) . .
C127 C131 H131 119.9 . .
C76 C131 H131 119.9 . .
C117 C132 C123 120.3(3) . .
C117 C132 H132 119.9 . .
C123 C132 H132 119.9 . .
C125 C133 C124 120.5(3) . .
C125 C133 H133 119.8 . .
C124 C133 H133 119.8 . .
C96 C134 C121 120.1(3) . .
C96 C134 H134 119.9 . .
C121 C134 H134 119.9 . .
C97 C135 C11 120.4(3) . .
C97 C135 H135 119.8 . .
C11 C135 H135 119.8 . .
C104 C136 C142 120.2(3) . .
C104 C136 H136 119.9 . .
C142 C136 H136 119.9 . .
C71 C137 C57 120.2(3) . .
C71 C137 H137 119.9 . .
C57 C137 H137 119.9 . .
C103 C138 C80 120.3(3) . .
C103 C138 H138 119.8 . .
C80 C138 H138 119.8 . .
C141 C139 C144 120.1(3) . .
C141 C139 H139 119.9 . .
C144 C139 H139 119.9 . .
C111 C140 C128 120.2(3) . .
C111 C140 H140 119.9 . .
C128 C140 H140 119.9 . .
C139 C141 C50 120.5(3) . .
C139 C141 H141 119.8 . .
C50 C141 H141 119.8 . .
C136 C142 C41 120.0(3) . .
C136 C142 H142 120.0 . .
C41 C142 H142 120.0 . .
C129 C143 C94 120.7(3) . .
C129 C143 H143 119.6 . .
C94 C143 H143 119.6 . .
C139 C144 C116 119.7(4) . .
C139 C144 H144 120.1 . .
C116 C144 H144 120.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O11 2.2245(19) .
Dy1 O5 2.230(2) .
Dy1 O9 2.2424(19) .
Dy1 O7 2.244(2) .
Dy1 Cl5 2.6138(7) .
Dy1 Cl3 2.6302(7) .
Dy2 O8 2.231(2) .
Dy2 O10 2.243(2) .
Dy2 O6 2.244(2) .
Dy2 O12 2.2519(19) .
Dy2 Cl6 2.6170(7) .
Dy2 Cl4 2.6258(7) .
P7 O5 1.510(2) .
P7 C33 1.794(3) .
P7 C37 1.797(3) .
P7 C39 1.798(3) .
P8 O9 1.509(2) .
P8 C26 1.795(3) .
P8 C18 1.799(3) .
P8 C20 1.800(3) .
P9 O10 1.503(2) .
P9 C59 1.792(3) .
P9 C48 1.796(3) .
P9 C40 1.798(3) .
P10 O6 1.502(2) .
P10 C12 1.792(3) .
P10 C22 1.797(3) .
P10 C25 1.798(3) .
P11 O11 1.501(2) .
P11 C35 1.790(3) .
P11 C23 1.795(3) .
P11 C53 1.798(3) .
P12 O8 1.502(2) .
P12 C38 1.789(3) .
P12 C19 1.794(3) .
P12 C17 1.796(3) .
P13 O7 1.505(2) .
P13 C1 1.798(3) .
P13 C16 1.798(3) .
P13 C14 1.800(3) .
Cl14 Fe15 2.1891(9) .
Fe15 Cl2 2.1770(10) .
Fe15 Cl1 2.1896(10) .
Fe15 Cl18 2.2006(10) .
Fe16 Cl19 2.1805(10) .
Fe16 Cl8 2.1808(11) .
Fe16 Cl17 2.1915(10) .
Fe16 Cl7 2.2017(11) .
P20 O12 1.500(2) .
P20 C29 1.794(3) .
P20 C36 1.796(3) .
P20 C13 1.798(3) .
C13 C41 1.376(4) .
C13 C56 1.403(4) .
C14 C49 1.395(4) .
C14 C21 1.396(4) .
C15 C74 1.388(4) .
C15 C40 1.398(4) .
C15 H15 0.9500 .
C16 C3 1.392(4) .
C16 C44 1.399(4) .
C17 C51 1.389(4) .
C17 C9 1.392(4) .
C18 C94 1.379(4) .
C18 C75 1.392(4) .
C19 C116 1.379(4) .
C19 C50 1.386(4) .
C20 C6 1.390(4) .
C20 C58 1.395(4) .
C21 C124 1.383(4) .
C21 H21 0.9500 .
C22 C64 1.390(4) .
C22 C8 1.395(4) .
C23 C30 1.389(4) .
C23 C43 1.392(4) .
C25 C27 1.383(4) .
C25 C2 1.396(4) .
C26 C31 1.391(4) .
C26 C90 1.392(4) .
C27 C87 1.389(4) .
C27 H27 0.9500 .
C28 C52 1.387(4) .
C28 C37 1.390(4) .
C28 H28 0.9500 .
C29 C47 1.389(4) .
C29 C63 1.393(4) .
C30 C73 1.379(5) .
C30 H30 0.9500 .
C31 C119 1.380(5) .
C31 H31 0.9500 .
C32 C88 1.384(4) .
C32 C33 1.400(4) .
C32 H32 0.9500 .
C33 C102 1.387(4) .
C34 C92 1.376(4) .
C34 C38 1.399(4) .
C34 H34 0.9500 .
C35 C45 1.391(4) .
C35 C68 1.397(4) .
C36 C80 1.393(4) .
C36 C10 1.395(4) .
C37 C46 1.392(4) .
C38 C76 1.390(4) .
C40 C5 1.400(4) .
C3 C77 1.390(4) .
C3 H3 0.9500 .
C4 C113 1.375(5) .
C4 C47 1.388(4) .
C4 H4 0.9500 .
C5 C62 1.375(4) .
C5 H5 0.9500 .
C6 C81 1.385(4) .
C6 H6 0.9500 .
C7 C54 1.379(5) .
C7 C45 1.388(4) .
C7 H7 0.9500 .
C8 C109 1.381(5) .
C8 H8 0.9500 .
C9 C101 1.384(4) .
C9 H9 0.9500 .
C10 C42 1.379(4) .
C10 H10 0.9500 .
C11 C135 1.391(4) .
C11 C53 1.398(4) .
C11 H11 0.9500 .
C12 C57 1.379(4) .
C12 C55 1.391(4) .
C1 C121 1.383(4) .
C1 C89 1.393(4) .
C2 C83 1.379(4) .
C2 H2 0.9500 .
C41 C142 1.386(4) .
C41 H41 0.9500 .
C42 C103 1.376(5) .
C42 H42 0.9500 .
C43 C99 1.385(5) .
C43 H43 0.9500 .
C44 C120 1.379(5) .
C44 H44 0.9500 .
C45 H45 0.9500 .
C46 C69 1.380(4) .
C46 H46 0.9500 .
C47 H47 0.9500 .
C48 C61 1.389(4) .
C48 C91 1.396(4) .
C49 C125 1.375(5) .
C49 H49 0.9500 .
C24 C71 1.373(4) .
C24 C55 1.383(4) .
C24 H24 0.9500 .
C50 C141 1.383(5) .
C50 H50 0.9500 .
C51 C67 1.390(4) .
C51 H51 0.9500 .
C52 C93 1.376(5) .
C52 H52 0.9500 .
C53 C95 1.396(4) .
C54 C70 1.384(5) .
C54 H54 0.9500 .
C55 H55 0.9500 .
C56 C104 1.389(4) .
C56 H56 0.9500 .
C57 C137 1.390(4) .
C57 H57 0.9500 .
C39 C86 1.386(4) .
C39 C66 1.394(4) .
C58 C122 1.392(4) .
C58 H58 0.9500 .
C59 C128 1.375(4) .
C59 C100 1.385(4) .
C60 C86 1.380(4) .
C60 C82 1.381(5) .
C60 H60 0.9500 .
C61 C117 1.384(4) .
C61 H61 0.9500 .
C62 C65 1.385(4) .
C62 H62 0.9500 .
C63 C72 1.381(4) .
C63 H63 0.9500 .
C64 C112 1.392(4) .
C64 H64 0.9500 .
C65 C74 1.384(5) .
C65 H65 0.9500 .
C66 C79 1.383(4) .
C66 H66 0.9500 .
C67 C115 1.379(5) .
C67 H67 0.9500 .
C68 C70 1.377(4) .
C68 H68 0.9500 .
C69 C93 1.381(5) .
C69 H69 0.9500 .
C70 H70 0.9500 .
C71 C137 1.376(5) .
C71 H71 0.9500 .
C72 C113 1.384(5) .
C72 H72 0.9500 .
C73 C105 1.376(5) .
C73 H73 0.9500 .
C74 H74 0.9500 .
C75 C78 1.378(4) .
C75 H75 0.9500 .
C76 C131 1.382(5) .
C76 H76 0.9500 .
C77 C114 1.373(5) .
C77 H77 0.9500 .
C78 C129 1.375(5) .
C78 H78 0.9500 .
C79 C82 1.383(5) .
C79 H79 0.9500 .
C80 C138 1.393(5) .
C80 H80 0.9500 .
C81 C106 1.384(5) .
C81 H81 0.9500 .
C82 H82 0.9500 .
C83 C85 1.380(5) .
C83 H83 0.9500 .
C84 C107 1.377(5) .
C84 C90 1.379(5) .
C84 H84 0.9500 .
C85 C87 1.380(5) .
C85 H85 0.9500 .
C86 H86 0.9500 .
C87 H87 0.9500 .
C88 C126 1.377(5) .
C88 H88 0.9500 .
C89 C110 1.383(4) .
C89 H89 0.9500 .
C90 H90 0.9500 .
C91 C123 1.380(5) .
C91 H91 0.9500 .
C92 C127 1.380(5) .
C92 H92 0.9500 .
C93 H93 0.9500 .
C94 C143 1.381(5) .
C94 H94 0.9500 .
C95 C108 1.381(4) .
C95 H95 0.9500 .
C96 C134 1.370(5) .
C96 C110 1.376(5) .
C96 H96 0.9500 .
C97 C108 1.373(5) .
C97 C135 1.380(5) .
C97 H97 0.9500 .
C98 C109 1.379(5) .
C98 C112 1.380(5) .
C98 H98 0.9500 .
C99 C105 1.379(5) .
C99 H99 0.9500 .
C100 C118 1.383(5) .
C100 H100 0.9500 .
C101 C115 1.378(5) .
C101 H101 0.9500 .
C102 C130 1.391(5) .
C102 H102 0.9500 .
C103 C138 1.370(5) .
C103 H103 0.9500 .
C104 C136 1.374(5) .
C104 H104 0.9500 .
C105 H105 0.9500 .
C106 C122 1.375(5) .
C106 H106 0.9500 .
C107 C119 1.378(5) .
C107 H107 0.9500 .
C108 H108 0.9500 .
C109 H109 0.9500 .
C110 H110 0.9500 .
C111 C140 1.372(5) .
C111 C118 1.373(5) .
C111 H111 0.9500 .
C112 H112 0.9500 .
C113 H113 0.9500 .
C114 C120 1.380(5) .
C114 H114 0.9500 .
C115 H115 0.9500 .
C116 C144 1.385(5) .
C116 H116 0.9500 .
C117 C132 1.374(5) .
C117 H117 0.9500 .
C118 H118 0.9500 .
C119 H119 0.9500 .
C120 H120 0.9500 .
C121 C134 1.395(5) .
C121 H121 0.9500 .
C122 H122 0.9500 .
C123 C132 1.374(5) .
C123 H123 0.9500 .
C124 C133 1.384(5) .
C124 H124 0.9500 .
C125 C133 1.383(5) .
C125 H125 0.9500 .
C126 C130 1.369(5) .
C126 H126 0.9500 .
C127 C131 1.381(5) .
C127 H127 0.9500 .
C128 C140 1.388(5) .
C128 H128 0.9500 .
C129 C143 1.369(5) .
C129 H129 0.9500 .
C130 H130 0.9500 .
C131 H131 0.9500 .
C132 H132 0.9500 .
C133 H133 0.9500 .
C134 H134 0.9500 .
C135 H135 0.9500 .
C136 C142 1.380(5) .
C136 H136 0.9500 .
C137 H137 0.9500 .
C138 H138 0.9500 .
C139 C141 1.359(5) .
C139 C144 1.381(5) .
C139 H139 0.9500 .
C140 H140 0.9500 .
C141 H141 0.9500 .
C142 H142 0.9500 .
C143 H143 0.9500 .
C144 H144 0.9500 .
