# Electronic Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2013


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#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication 
#  deposited with the CCDC, and may include chemical, crystal,   
#  experimental, refinement, atomic coordinates, 
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted. 
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#  fide research purposes only. It may contain copyright material 
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data_dy42ac
_database_code_depnum_ccdc_archive 'CCDC 909149'
#TrackingRef '15137_web_deposit_cif_file_0_DenisProdius_1352043932.dy42ac.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C42 H88 Dy3 Fe6 N31 O27'
_chemical_formula_weight         2282.03

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   Pccn

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

_cell_length_a                   13.9586(9)
_cell_length_b                   18.4257(14)
_cell_length_c                   28.917(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     7437.4(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    2139
_cell_measurement_theta_min      2.02
_cell_measurement_theta_max      24.08

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.038
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4508
_exptl_absorpt_coefficient_mu    4.204
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4196
_exptl_absorpt_correction_T_max  0.5183
_exptl_absorpt_process_details   'XPREP in SHELXTL 6.14 (BrukerAXS Inc., 2003)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            28156
_diffrn_reflns_av_R_equivalents  0.1272
_diffrn_reflns_av_sigmaI/netI    0.1144
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_theta_min         2.92
_diffrn_reflns_theta_max         26.01
_reflns_number_total             7091
_reflns_number_gt                4032
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'STOE X-AREA'
_computing_cell_refinement       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0535P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7091
_refine_ls_number_parameters     486
_refine_ls_number_restraints     8
_refine_ls_R_factor_all          0.1225
_refine_ls_R_factor_gt           0.0610
_refine_ls_wR_factor_ref         0.1364
_refine_ls_wR_factor_gt          0.1191
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_restrained_S_all      1.014
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.7500 0.7500 0.01868(3) 0.03446(19) Uani 1 2 d S . .
Dy2 Dy 0.89854(4) 0.97213(3) 0.15949(2) 0.04157(16) Uani 1 1 d . A .
Fe2 Fe 0.73078(10) 0.93001(7) 0.07739(6) 0.0375(4) Uani 1 1 d . A .
Fe1 Fe 0.57426(10) 0.80084(7) 0.09307(6) 0.0347(4) Uani 1 1 d . . .
Fe3 Fe 0.96480(11) 0.79997(8) 0.18236(7) 0.0461(4) Uani 1 1 d . . .
N1 N 1.0359(7) 1.0128(5) 0.1068(4) 0.050(3) Uani 1 1 d . . .
N2 N 0.7905(7) 1.0032(5) 0.2299(5) 0.055(3) Uani 1 1 d . . .
N3 N 0.4354(6) 0.8322(4) 0.0591(4) 0.046(3) Uani 1 1 d . . .
N4 N 0.7500 0.7500 -0.0761(8) 0.085(6) Uani 1 2 d S . .
N5 N 0.7389(7) 0.8814(4) 0.0090(4) 0.045(3) Uani 1 1 d . . .
N6 N 0.7144(7) 0.9097(4) -0.0257(4) 0.048(3) Uani 1 1 d . . .
N7 N 0.6910(11) 0.9367(6) -0.0580(6) 0.092(5) Uani 1 1 d . . .
N8 N 0.7009(7) 1.0275(5) 0.0471(5) 0.061(3) Uani 1 1 d . . .
N9 N 0.7536(8) 1.0640(5) 0.0252(4) 0.052(3) Uani 1 1 d . . .
N10 N 0.8006(10) 1.1014(7) 0.0047(6) 0.082(4) Uani 1 1 d . . .
N11 N 0.8906(9) 0.7209(6) 0.2192(5) 0.067(3) Uani 1 1 d . . .
N12 N 0.9081(8) 0.6955(5) 0.2542(5) 0.063(3) Uani 1 1 d . . .
N13 N 0.9216(13) 0.6680(7) 0.2890(6) 0.104(6) Uani 1 1 d . . .
N14 N 1.0753(11) 0.7995(11) 0.2262(7) 0.110(6) Uani 1 1 d D . .
N15A N 1.081(3) 0.793(2) 0.2645(10) 0.114(11) Uiso 0.50 1 d PD A 1
N15B N 1.129(2) 0.7707(15) 0.2457(12) 0.092(9) Uiso 0.50 1 d PD A 2
N16A N 1.074(4) 0.808(3) 0.3020(13) 0.19(2) Uiso 0.50 1 d PD A 1
N16B N 1.165(3) 0.732(2) 0.2696(16) 0.174(18) Uiso 0.50 1 d PD A 2
C1 C 0.9459(8) 0.9279(6) 0.0565(5) 0.044(3) Uani 1 1 d . . .
H1A H 0.9258 0.9205 0.0248 0.053 Uiso 1 1 calc R . .
H1B H 0.9772 0.8840 0.0672 0.053 Uiso 1 1 calc R . .
C2 C 1.0143(9) 0.9910(6) 0.0592(5) 0.055(4) Uani 1 1 d . . .
H2A H 1.0736 0.9779 0.0438 0.066 Uiso 1 1 calc R . .
H2B H 0.9869 1.0320 0.0429 0.066 Uiso 1 1 calc R . .
C3 C 1.0462(11) 1.0937(6) 0.1086(6) 0.069(4) Uani 1 1 d . . .
H3A H 1.0866 1.1098 0.0833 0.083 Uiso 1 1 calc R . .
H3B H 1.0767 1.1076 0.1374 0.083 Uiso 1 1 calc R . .
C4 C 0.9496(12) 1.1296(6) 0.1051(6) 0.064(4) Uani 1 1 d . . .
H4A H 0.9559 1.1812 0.1108 0.077 Uiso 1 1 calc R . .
H4B H 0.9239 1.1230 0.0742 0.077 Uiso 1 1 calc R . .
C5 C 1.1226(9) 0.9782(6) 0.1258(6) 0.059(4) Uani 1 1 d . . .
H5A H 1.1389 1.0007 0.1551 0.070 Uiso 1 1 calc R . .
H5B H 1.1758 0.9855 0.1048 0.070 Uiso 1 1 calc R . .
C6 C 1.1073(9) 0.8987(7) 0.1329(7) 0.071(4) Uani 1 1 d . A .
H6A H 1.1119 0.8736 0.1035 0.086 Uiso 1 1 calc R . .
H6B H 1.1567 0.8796 0.1532 0.086 Uiso 1 1 calc R . .
C7 C 0.9400(13) 1.0498(12) 0.2638(7) 0.101(6) Uani 1 1 d . A .
H7A H 0.9685 1.0917 0.2788 0.122 Uiso 1 1 calc R . .
H7B H 0.9501 1.0079 0.2835 0.122 Uiso 1 1 calc R . .
C8 C 0.8348(12) 1.0623(10) 0.2575(7) 0.096(6) Uani 1 1 d . . .
H8A H 0.8041 1.0647 0.2875 0.115 Uiso 1 1 calc R . .
H8B H 0.8247 1.1083 0.2420 0.115 Uiso 1 1 calc R . .
C9 C 0.7001(10) 1.0294(6) 0.2106(5) 0.059(4) Uani 1 1 d . . .
H9A H 0.7091 1.0779 0.1983 0.071 Uiso 1 1 calc R . .
H9B H 0.6524 1.0320 0.2349 0.071 Uiso 1 1 calc R . .
C10 C 0.6646(9) 0.9799(8) 0.1725(6) 0.068(5) Uani 1 1 d . A .
H10A H 0.6399 0.9355 0.1859 0.082 Uiso 1 1 calc R . .
H10B H 0.6130 1.0035 0.1558 0.082 Uiso 1 1 calc R . .
C11 C 0.7740(13) 0.9392(9) 0.2578(7) 0.093(6) Uani 1 1 d . . .
H11A H 0.7078 0.9245 0.2538 0.112 Uiso 1 1 calc R . .
H11B H 0.7823 0.9524 0.2900 0.112 Uiso 1 1 calc R . .
C12 C 0.8346(16) 0.8770(10) 0.2481(8) 0.106(7) Uani 1 1 d . A .
H12A H 0.8803 0.8728 0.2732 0.127 Uiso 1 1 calc R . .
H12B H 0.7945 0.8340 0.2491 0.127 Uiso 1 1 calc R . .
C13 C 0.5086(9) 0.7485(7) 0.0047(5) 0.058(4) Uani 1 1 d . . .
H13A H 0.4716 0.7056 0.0124 0.069 Uiso 1 1 calc R B 1
H13B H 0.5301 0.7439 -0.0271 0.069 Uiso 1 1 calc R B 1
C14A C 0.4461(18) 0.8156(14) 0.0096(12) 0.048(8) Uani 0.50 1 d P C 1
H14A H 0.4756 0.8563 -0.0062 0.057 Uiso 0.50 1 calc PR C 1
H14B H 0.3838 0.8069 -0.0041 0.057 Uiso 0.50 1 calc PR C 1
C14B C 0.423(2) 0.7760(18) 0.0251(16) 0.079(13) Uani 0.50 1 d P C 2
H14C H 0.3893 0.7359 0.0396 0.095 Uiso 0.50 1 calc PR C 2
H14D H 0.3822 0.7946 0.0007 0.095 Uiso 0.50 1 calc PR C 2
C15A C 0.4244(15) 0.9132(9) 0.0676(9) 0.034(5) Uiso 0.50 1 d P C 1
H15A H 0.3811 0.9338 0.0449 0.041 Uiso 0.50 1 calc PR C 1
H15B H 0.3972 0.9212 0.0981 0.041 Uiso 0.50 1 calc PR C 1
C15B C 0.448(2) 0.9049(12) 0.0397(12) 0.055(6) Uiso 0.50 1 d P C 2
H15C H 0.4688 0.9005 0.0078 0.066 Uiso 0.50 1 calc PR C 2
H15D H 0.3868 0.9298 0.0397 0.066 Uiso 0.50 1 calc PR C 2
C16 C 0.5164(8) 0.9480(6) 0.0645(7) 0.073(5) Uani 1 1 d . . .
H16A H 0.5318 0.9560 0.0322 0.087 Uiso 1 1 calc R C 1
H16B H 0.5130 0.9950 0.0795 0.087 Uiso 1 1 calc R C 1
C17A C 0.361(3) 0.834(2) 0.0967(17) 0.099(12) Uiso 0.50 1 d P C 1
H17A H 0.3534 0.8833 0.1072 0.118 Uiso 0.50 1 calc PR C 1
H17B H 0.3001 0.8185 0.0835 0.118 Uiso 0.50 1 calc PR C 1
C17B C 0.3562(17) 0.7957(12) 0.0817(9) 0.042(5) Uiso 0.50 1 d P C 2
H17C H 0.3486 0.7471 0.0693 0.050 Uiso 0.50 1 calc PR C 2
H17D H 0.2971 0.8223 0.0766 0.050 Uiso 0.50 1 calc PR C 2
C18 C 0.3788(9) 0.7923(8) 0.1330(7) 0.075(5) Uani 1 1 d . . .
H18A H 0.3431 0.7474 0.1299 0.090 Uiso 1 1 calc R C 1
H18B H 0.3558 0.8169 0.1605 0.090 Uiso 1 1 calc R C 1
C19 C 0.7713(7) 0.7876(4) 0.1311(5) 0.036(3) Uani 1 1 d . . .
H19A H 0.7517 0.8139 0.1590 0.043 Uiso 1 1 calc R . .
O1 O 0.8673(5) 0.9426(3) 0.0839(3) 0.0386(19) Uani 1 1 d . . .
O2 O 0.8862(7) 1.0981(4) 0.1383(4) 0.071(3) Uani 1 1 d D . .
H21 H 0.8393 1.1268 0.1519 0.085 Uiso 1 1 calc RD . .
O3 O 1.0177(5) 0.8865(4) 0.1524(3) 0.049(2) Uani 1 1 d . . .
O4 O 0.9850(7) 1.0381(5) 0.2200(4) 0.064(3) Uani 1 1 d D . .
H41 H 1.013(9) 1.076(5) 0.208(5) 0.077 Uiso 1 1 d D . .
O5 O 0.7397(5) 0.9637(3) 0.1420(3) 0.044(2) Uani 1 1 d . . .
O6 O 0.8830(5) 0.8754(4) 0.2090(3) 0.047(2) Uani 1 1 d . . .
O7 O 0.5886(5) 0.7538(3) 0.0344(3) 0.0395(19) Uani 1 1 d . C .
O8 O 0.5907(5) 0.9063(3) 0.0853(3) 0.0402(19) Uani 1 1 d . A .
O9 O 0.4770(5) 0.7754(4) 0.1391(3) 0.048(2) Uani 1 1 d . . .
O10 O 0.7281(4) 0.8201(3) 0.0906(3) 0.0276(17) Uani 1 1 d . . .
O11 O 0.8686(4) 0.7827(3) 0.1291(3) 0.0334(17) Uani 1 1 d . . .
O12 O 0.6713(7) 0.7414(5) -0.0551(4) 0.069(3) Uani 1 1 d . . .
O13 O 0.7500 0.7500 -0.1285(11) 0.192(12) Uani 1 2 d S . .
O14 O 0.724(2) 0.1744(14) 0.1301(13) 0.241(11) Uiso 1 1 d D . .
C20 C 0.629(3) 0.166(4) 0.111(3) 0.41(4) Uiso 1 1 d D . .
H20A H 0.6388 0.1245 0.0903 0.495 Uiso 1 1 calc R . .
H20B H 0.6257 0.2071 0.0901 0.495 Uiso 1 1 calc R . .
C21 C 0.521(4) 0.156(3) 0.123(2) 0.32(3) Uiso 1 1 d D . .
H21A H 0.4845 0.1530 0.0945 0.477 Uiso 1 1 calc R . .
H21B H 0.4994 0.1966 0.1405 0.477 Uiso 1 1 calc R . .
H21C H 0.5125 0.1121 0.1400 0.477 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Dy1 0.0266(4) 0.0265(3) 0.0503(5) 0.000 0.000 0.0002(3)
Dy2 0.0238(3) 0.0461(2) 0.0548(4) -0.0092(2) -0.0001(3) -0.0083(2)
Fe2 0.0220(9) 0.0298(6) 0.0606(12) -0.0039(6) -0.0053(7) -0.0003(5)
Fe1 0.0144(8) 0.0326(6) 0.0572(12) -0.0011(6) -0.0043(7) 0.0025(5)
Fe3 0.0241(9) 0.0563(9) 0.0578(13) 0.0010(8) -0.0081(8) 0.0024(7)
N1 0.036(6) 0.061(5) 0.053(8) -0.008(5) 0.000(5) -0.024(4)
N2 0.026(6) 0.067(6) 0.071(9) -0.017(6) 0.006(5) 0.000(4)
N3 0.019(5) 0.047(5) 0.072(9) 0.004(5) -0.011(5) 0.006(4)
N4 0.101(19) 0.083(11) 0.070(15) 0.000 0.000 -0.026(11)
N5 0.049(6) 0.022(3) 0.062(8) 0.006(4) -0.004(5) 0.000(4)
N6 0.051(7) 0.028(4) 0.066(9) 0.008(5) -0.004(6) 0.003(4)
N7 0.116(12) 0.059(7) 0.100(14) 0.014(7) 0.003(10) 0.029(7)
N8 0.030(6) 0.048(5) 0.107(11) 0.008(6) 0.002(6) 0.004(4)
N9 0.041(6) 0.038(4) 0.078(9) -0.005(5) -0.004(6) 0.000(5)
N10 0.061(9) 0.078(7) 0.107(13) 0.028(8) 0.007(8) -0.004(6)
N11 0.069(8) 0.069(6) 0.064(9) 0.026(6) -0.001(7) 0.007(6)
N12 0.063(8) 0.042(5) 0.084(11) -0.001(6) -0.001(7) 0.022(5)
N13 0.151(15) 0.084(8) 0.078(12) 0.034(8) -0.012(11) 0.043(9)
N14 0.059(10) 0.193(15) 0.078(13) -0.019(11) -0.043(9) 0.025(10)
C1 0.026(7) 0.055(6) 0.052(9) -0.010(5) 0.006(6) -0.013(5)
C2 0.033(7) 0.059(7) 0.073(11) -0.016(6) 0.008(7) -0.015(5)
C3 0.087(12) 0.054(7) 0.066(11) -0.012(7) 0.007(9) -0.037(7)
C4 0.085(11) 0.047(6) 0.061(11) -0.008(6) 0.002(8) -0.014(7)
C5 0.030(8) 0.075(8) 0.071(11) -0.004(7) -0.006(6) -0.022(6)
C6 0.020(7) 0.088(9) 0.106(15) -0.004(9) 0.002(8) -0.013(6)
C7 0.060(12) 0.174(17) 0.069(14) -0.039(12) -0.008(10) -0.038(11)
C8 0.066(12) 0.126(13) 0.094(16) -0.068(11) 0.005(10) -0.014(9)
C9 0.051(9) 0.055(6) 0.072(11) -0.007(7) 0.014(7) 0.000(6)
C10 0.024(8) 0.088(9) 0.092(14) -0.038(8) 0.002(7) 0.007(6)
C11 0.080(13) 0.113(12) 0.085(15) -0.003(10) 0.043(11) 0.029(10)
C12 0.117(17) 0.112(12) 0.088(16) 0.002(11) 0.049(13) 0.042(11)
C13 0.038(8) 0.059(6) 0.076(11) -0.022(7) -0.020(7) 0.014(6)
C14A 0.018(14) 0.047(14) 0.08(2) 0.007(14) -0.015(13) 0.005(10)
C14B 0.05(2) 0.072(19) 0.11(4) -0.06(2) -0.05(2) 0.017(16)
C16 0.024(7) 0.043(6) 0.151(17) 0.000(7) -0.040(8) 0.008(5)
C18 0.025(8) 0.095(9) 0.105(15) 0.012(9) 0.023(8) 0.009(6)
C19 0.017(6) 0.032(4) 0.058(9) -0.007(5) -0.004(5) -0.003(4)
O1 0.023(4) 0.041(3) 0.052(6) -0.010(3) 0.000(4) -0.005(3)
O2 0.064(6) 0.040(4) 0.110(9) -0.001(4) 0.029(6) -0.008(4)
O3 0.018(4) 0.059(4) 0.070(7) 0.001(4) 0.000(4) -0.006(3)
O4 0.056(6) 0.072(5) 0.066(8) -0.011(5) -0.004(5) -0.024(4)
O5 0.014(4) 0.051(4) 0.068(6) -0.013(4) 0.004(4) -0.002(3)
O6 0.031(5) 0.056(4) 0.055(6) -0.006(4) 0.006(4) -0.005(3)
O7 0.022(4) 0.033(3) 0.063(6) -0.005(3) -0.013(3) -0.004(3)
O8 0.023(4) 0.033(3) 0.064(6) -0.004(3) -0.008(4) 0.005(3)
O9 0.017(4) 0.051(4) 0.075(7) 0.006(4) 0.006(4) 0.013(3)
O10 0.013(4) 0.026(3) 0.044(5) 0.000(3) -0.004(3) 0.000(2)
O11 0.011(4) 0.037(3) 0.052(5) 0.000(3) -0.001(3) 0.003(2)
O12 0.049(6) 0.096(6) 0.062(7) -0.006(5) -0.010(5) -0.024(5)
O13 0.22(3) 0.27(3) 0.09(2) 0.000 0.000 -0.06(3)

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O7 2.299(7) 2_665 ?
Dy1 O7 2.299(7) . ?
Dy1 O12 2.405(10) 2_665 ?
Dy1 O12 2.405(10) . ?
Dy1 N5 2.442(7) . ?
Dy1 N5 2.442(7) 2_665 ?
Dy1 O10 2.468(7) . ?
Dy1 O10 2.468(7) 2_665 ?
Dy1 N4 2.74(2) . ?
Dy1 Fe1 3.3945(17) 2_665 ?
Dy1 Fe1 3.3945(17) . ?
Dy2 O5 2.279(7) . ?
Dy2 O6 2.297(8) . ?
Dy2 O1 2.296(8) . ?
Dy2 O3 2.301(7) . ?
Dy2 O2 2.407(8) . ?
Dy2 O4 2.450(9) . ?
Dy2 N1 2.561(10) . ?
Dy2 N2 2.598(11) . ?
Dy2 Fe3 3.3698(16) . ?
Dy2 Fe2 3.4237(17) . ?
Fe2 O1 1.928(7) . ?
Fe2 O5 1.972(9) . ?
Fe2 O8 2.016(7) . ?
Fe2 N8 2.041(10) . ?
Fe2 O10 2.061(5) . ?
Fe2 N5 2.174(11) . ?
Fe1 O7 1.917(8) . ?
Fe1 O9 1.959(8) . ?
Fe1 O8 1.970(6) . ?
Fe1 O11 2.023(7) 2_665 ?
Fe1 O10 2.178(6) . ?
Fe1 N3 2.249(9) . ?
Fe3 O6 1.957(8) . ?
Fe3 O3 1.960(8) . ?
Fe3 N14 1.996(14) . ?
Fe3 O9 2.037(8) 2_665 ?
Fe3 O11 2.068(8) . ?
Fe3 N11 2.080(12) . ?
N1 C2 1.463(18) . ?
N1 C5 1.476(16) . ?
N1 C3 1.499(14) . ?
N2 C11 1.45(2) . ?
N2 C9 1.461(17) . ?
N2 C8 1.484(17) . ?
N3 C14B 1.44(3) . ?
N3 C17B 1.45(3) . ?
N3 C15B 1.46(2) . ?
N3 C14A 1.47(3) . ?
N3 C17A 1.51(5) . ?
N3 C15A 1.52(2) . ?
N4 O12 1.265(14) . ?
N4 O12 1.265(14) 2_665 ?
N4 O13 1.51(4) . ?
N5 N6 1.181(15) . ?
N6 N7 1.109(18) . ?
N8 N9 1.181(15) . ?
N9 N10 1.121(16) . ?
N11 N12 1.143(17) . ?
N12 N13 1.142(19) . ?
N14 N15B 1.075(18) . ?
N14 N15A 1.119(19) . ?
N15A N16A 1.12(2) . ?
N15B N16B 1.117(19) . ?
C1 O1 1.379(13) . ?
C1 C2 1.506(14) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C4 1.51(2) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 O2 1.430(17) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C6 1.495(17) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 O3 1.390(15) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 O4 1.43(2) . ?
C7 C8 1.50(2) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.512(19) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 O5 1.403(15) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.45(2) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 O6 1.32(2) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 O7 1.413(14) . ?
C13 C14B 1.43(4) . ?
C13 C14A 1.52(3) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14A H14A 0.9700 . ?
C14A H14B 0.9700 . ?
C14B H14C 0.9700 . ?
C14B H14D 0.9700 . ?
C15A C16 1.44(2) . ?
C15A H15A 0.9700 . ?
C15A H15B 0.9700 . ?
C15B C16 1.43(3) . ?
C15B H15C 0.9700 . ?
C15B H15D 0.9700 . ?
C16 O8 1.424(13) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17A C18 1.32(4) . ?
C17A H17A 0.9700 . ?
C17A H17B 0.9700 . ?
C17B C18 1.52(3) . ?
C17B H17C 0.9700 . ?
C17B H17D 0.9700 . ?
C18 O9 1.416(15) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 O11 1.363(11) . ?
C19 O10 1.446(14) . ?
C19 C19 1.508(17) 2_665 ?
C19 H19A 0.9800 . ?
O2 H21 0.9300 . ?
O4 H41 0.88(4) . ?
O9 Fe3 2.037(8) 2_665 ?
O11 Fe1 2.023(7) 2_665 ?
O14 C20 1.45(2) . ?
C20 C21 1.55(2) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?

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
O7 Dy1 O7 157.2(4) 2_665 . ?
O7 Dy1 O12 74.3(3) 2_665 2_665 ?
O7 Dy1 O12 128.4(3) . 2_665 ?
O7 Dy1 O12 128.4(3) 2_665 . ?
O7 Dy1 O12 74.3(3) . . ?
O12 Dy1 O12 54.9(5) 2_665 . ?
O7 Dy1 N5 96.6(3) 2_665 . ?
O7 Dy1 N5 86.0(3) . . ?
O12 Dy1 N5 82.1(3) 2_665 . ?
O12 Dy1 N5 86.2(3) . . ?
O7 Dy1 N5 86.0(3) 2_665 2_665 ?
O7 Dy1 N5 96.6(3) . 2_665 ?
O12 Dy1 N5 86.2(3) 2_665 2_665 ?
O12 Dy1 N5 82.1(3) . 2_665 ?
N5 Dy1 N5 166.8(5) . 2_665 ?
O7 Dy1 O10 88.3(2) 2_665 . ?
O7 Dy1 O10 72.3(2) . . ?
O12 Dy1 O10 140.4(3) 2_665 . ?
O12 Dy1 O10 136.5(3) . . ?
N5 Dy1 O10 64.5(3) . . ?
N5 Dy1 O10 128.6(3) 2_665 . ?
O7 Dy1 O10 72.3(2) 2_665 2_665 ?
O7 Dy1 O10 88.3(2) . 2_665 ?
O12 Dy1 O10 136.5(3) 2_665 2_665 ?
O12 Dy1 O10 140.4(3) . 2_665 ?
N5 Dy1 O10 128.6(3) . 2_665 ?
N5 Dy1 O10 64.5(3) 2_665 2_665 ?
O10 Dy1 O10 65.1(3) . 2_665 ?
O7 Dy1 N4 101.4(2) 2_665 . ?
O7 Dy1 N4 101.4(2) . . ?
O12 Dy1 N4 27.5(3) 2_665 . ?
O12 Dy1 N4 27.5(3) . . ?
N5 Dy1 N4 83.4(3) . . ?
N5 Dy1 N4 83.4(3) 2_665 . ?
O10 Dy1 N4 147.47(14) . . ?
O10 Dy1 N4 147.47(14) 2_665 . ?
O7 Dy1 Fe1 32.70(19) 2_665 2_665 ?
O7 Dy1 Fe1 126.3(2) . 2_665 ?
O12 Dy1 Fe1 104.5(3) 2_665 2_665 ?
O12 Dy1 Fe1 150.9(3) . 2_665 ?
N5 Dy1 Fe1 113.1(2) . 2_665 ?
N5 Dy1 Fe1 75.7(2) 2_665 2_665 ?
O10 Dy1 Fe1 72.51(14) . 2_665 ?
O10 Dy1 Fe1 39.82(14) 2_665 2_665 ?
N4 Dy1 Fe1 129.32(3) . 2_665 ?
O7 Dy1 Fe1 126.3(2) 2_665 . ?
O7 Dy1 Fe1 32.70(19) . . ?
O12 Dy1 Fe1 150.9(3) 2_665 . ?
O12 Dy1 Fe1 104.5(3) . . ?
N5 Dy1 Fe1 75.7(2) . . ?
N5 Dy1 Fe1 113.1(2) 2_665 . ?
O10 Dy1 Fe1 39.82(14) . . ?
O10 Dy1 Fe1 72.51(14) 2_665 . ?
N4 Dy1 Fe1 129.32(3) . . ?
Fe1 Dy1 Fe1 101.35(6) 2_665 . ?
O5 Dy2 O6 89.6(3) . . ?
O5 Dy2 O1 65.6(3) . . ?
O6 Dy2 O1 113.1(3) . . ?
O5 Dy2 O3 129.5(2) . . ?
O6 Dy2 O3 65.9(3) . . ?
O1 Dy2 O3 83.7(3) . . ?
O5 Dy2 O2 86.5(3) . . ?
O6 Dy2 O2 154.2(3) . . ?
O1 Dy2 O2 88.4(3) . . ?
O3 Dy2 O2 133.6(3) . . ?
O5 Dy2 O4 132.2(3) . . ?
O6 Dy2 O4 89.2(3) . . ?
O1 Dy2 O4 153.2(3) . . ?
O3 Dy2 O4 92.7(3) . . ?
O2 Dy2 O4 74.9(4) . . ?
O5 Dy2 N1 128.0(3) . . ?
O6 Dy2 N1 132.0(3) . . ?
O1 Dy2 N1 69.2(3) . . ?
O3 Dy2 N1 66.8(3) . . ?
O2 Dy2 N1 67.7(3) . . ?
O4 Dy2 N1 84.9(3) . . ?
O5 Dy2 N2 67.9(3) . . ?
O6 Dy2 N2 68.1(3) . . ?
O1 Dy2 N2 133.5(3) . . ?
O3 Dy2 N2 129.9(3) . . ?
O2 Dy2 N2 86.9(3) . . ?
O4 Dy2 N2 67.5(3) . . ?
N1 Dy2 N2 146.8(3) . . ?
O5 Dy2 Fe3 104.25(17) . . ?
O6 Dy2 Fe3 34.2(2) . . ?
O1 Dy2 Fe3 90.91(17) . . ?
O3 Dy2 Fe3 34.31(19) . . ?
O2 Dy2 Fe3 167.8(2) . . ?
O4 Dy2 Fe3 101.0(2) . . ?
N1 Dy2 Fe3 100.8(2) . . ?
N2 Dy2 Fe3 102.3(2) . . ?
O5 Dy2 Fe2 33.4(2) . . ?
O6 Dy2 Fe2 101.1(2) . . ?
O1 Dy2 Fe2 32.39(18) . . ?
O3 Dy2 Fe2 106.1(2) . . ?
O2 Dy2 Fe2 89.6(3) . . ?
O4 Dy2 Fe2 160.9(2) . . ?
N1 Dy2 Fe2 99.5(2) . . ?
N2 Dy2 Fe2 101.3(2) . . ?
Fe3 Dy2 Fe2 96.34(4) . . ?
O1 Fe2 O5 78.9(3) . . ?
O1 Fe2 O8 166.7(3) . . ?
O5 Fe2 O8 91.3(3) . . ?
O1 Fe2 N8 97.9(4) . . ?
O5 Fe2 N8 98.2(4) . . ?
O8 Fe2 N8 92.3(3) . . ?
O1 Fe2 O10 96.8(3) . . ?
O5 Fe2 O10 97.7(3) . . ?
O8 Fe2 O10 75.5(2) . . ?
N8 Fe2 O10 160.1(4) . . ?
O1 Fe2 N5 94.9(4) . . ?
O5 Fe2 N5 171.1(3) . . ?
O8 Fe2 N5 93.7(3) . . ?
N8 Fe2 N5 89.0(4) . . ?
O10 Fe2 N5 76.4(3) . . ?
O1 Fe2 Dy2 39.6(2) . . ?
O5 Fe2 Dy2 39.5(2) . . ?
O8 Fe2 Dy2 129.3(3) . . ?
N8 Fe2 Dy2 103.8(3) . . ?
O10 Fe2 Dy2 96.09(19) . . ?
N5 Fe2 Dy2 133.5(3) . . ?
O7 Fe1 O9 124.5(3) . . ?
O7 Fe1 O8 109.5(3) . . ?
O9 Fe1 O8 113.2(3) . . ?
O7 Fe1 O11 94.1(3) . 2_665 ?
O9 Fe1 O11 75.0(3) . 2_665 ?
O8 Fe1 O11 139.8(3) . 2_665 ?
O7 Fe1 O10 86.7(3) . . ?
O9 Fe1 O10 138.1(3) . . ?
O8 Fe1 O10 73.8(2) . . ?
O11 Fe1 O10 75.6(2) 2_665 . ?
O7 Fe1 N3 79.6(4) . . ?
O9 Fe1 N3 76.2(4) . . ?
O8 Fe1 N3 78.3(3) . . ?
O11 Fe1 N3 139.5(3) 2_665 . ?
O10 Fe1 N3 142.6(3) . . ?
O7 Fe1 Dy1 40.40(19) . . ?
O9 Fe1 Dy1 150.0(2) . . ?
O8 Fe1 Dy1 96.6(2) . . ?
O11 Fe1 Dy1 80.3(2) 2_665 . ?
O10 Fe1 Dy1 46.52(18) . . ?
N3 Fe1 Dy1 114.6(3) . . ?
O6 Fe3 O3 79.4(3) . . ?
O6 Fe3 N14 101.8(6) . . ?
O3 Fe3 N14 89.6(7) . . ?
O6 Fe3 O9 163.4(4) . 2_665 ?
O3 Fe3 O9 97.6(4) . 2_665 ?
N14 Fe3 O9 94.5(6) . 2_665 ?
O6 Fe3 O11 91.3(3) . . ?
O3 Fe3 O11 92.3(3) . . ?
N14 Fe3 O11 166.9(6) . . ?
O9 Fe3 O11 72.4(3) 2_665 . ?
O6 Fe3 N11 90.3(4) . . ?
O3 Fe3 N11 169.7(4) . . ?
N14 Fe3 N11 93.3(7) . . ?
O9 Fe3 N11 92.1(4) 2_665 . ?
O11 Fe3 N11 87.2(4) . . ?
O6 Fe3 Dy2 41.3(2) . . ?
O3 Fe3 Dy2 41.4(2) . . ?
N14 Fe3 Dy2 109.9(6) . . ?
O9 Fe3 Dy2 129.1(3) 2_665 . ?
O11 Fe3 Dy2 79.64(17) . . ?
N11 Fe3 Dy2 128.5(3) . . ?
C2 N1 C5 113.6(10) . . ?
C2 N1 C3 109.0(10) . . ?
C5 N1 C3 109.7(9) . . ?
C2 N1 Dy2 109.0(6) . . ?
C5 N1 Dy2 105.4(8) . . ?
C3 N1 Dy2 110.0(8) . . ?
C11 N2 C9 110.2(11) . . ?
C11 N2 C8 111.4(16) . . ?
C9 N2 C8 108.9(11) . . ?
C11 N2 Dy2 110.4(8) . . ?
C9 N2 Dy2 105.9(9) . . ?
C8 N2 Dy2 109.9(9) . . ?
C14B N3 C17B 83(2) . . ?
C14B N3 C15B 114(3) . . ?
C17B N3 C15B 133.7(16) . . ?
C14B N3 C14A 36.7(18) . . ?
C17B N3 C14A 114.8(16) . . ?
C15B N3 C14A 78.7(18) . . ?
C14B N3 C17A 115(3) . . ?
C17B N3 C17A 32.3(16) . . ?
C15B N3 C17A 110(2) . . ?
C14A N3 C17A 141(2) . . ?
C14B N3 C15A 144(2) . . ?
C17B N3 C15A 107.8(14) . . ?
C15B N3 C15A 34.5(12) . . ?
C14A N3 C15A 111.9(16) . . ?
C17A N3 C15A 78.3(18) . . ?
C14B N3 Fe1 102.5(13) . . ?
C17B N3 Fe1 109.9(11) . . ?
C15B N3 Fe1 107.4(12) . . ?
C14A N3 Fe1 106.5(11) . . ?
C17A N3 Fe1 106.5(19) . . ?
C15A N3 Fe1 105.6(10) . . ?
O12 N4 O12 123(2) . 2_665 ?
O12 N4 O13 118.7(10) . . ?
O12 N4 O13 118.7(10) 2_665 . ?
O12 N4 Dy1 61.3(10) . . ?
O12 N4 Dy1 61.3(10) 2_665 . ?
O13 N4 Dy1 180.000(2) . . ?
N6 N5 Fe2 125.1(7) . . ?
N6 N5 Dy1 123.7(8) . . ?
Fe2 N5 Dy1 107.9(4) . . ?
N7 N6 N5 179.5(15) . . ?
N9 N8 Fe2 127.2(8) . . ?
N10 N9 N8 176.6(13) . . ?
N12 N11 Fe3 129.4(11) . . ?
N13 N12 N11 176.7(17) . . ?
N15B N14 N15A 51(2) . . ?
N15B N14 Fe3 151(2) . . ?
N15A N14 Fe3 133(3) . . ?
N14 N15A N16A 157(6) . . ?
N14 N15B N16B 163(5) . . ?
O1 C1 C2 108.9(9) . . ?
O1 C1 H1A 109.9 . . ?
C2 C1 H1A 109.9 . . ?
O1 C1 H1B 109.9 . . ?
C2 C1 H1B 109.9 . . ?
H1A C1 H1B 108.3 . . ?
N1 C2 C1 113.0(11) . . ?
N1 C2 H2A 109.0 . . ?
C1 C2 H2A 109.0 . . ?
N1 C2 H2B 109.0 . . ?
C1 C2 H2B 109.0 . . ?
H2A C2 H2B 107.8 . . ?
N1 C3 C4 110.4(10) . . ?
N1 C3 H3A 109.6 . . ?
C4 C3 H3A 109.6 . . ?
N1 C3 H3B 109.6 . . ?
C4 C3 H3B 109.6 . . ?
H3A C3 H3B 108.1 . . ?
O2 C4 C3 109.3(12) . . ?
O2 C4 H4A 109.8 . . ?
C3 C4 H4A 109.8 . . ?
O2 C4 H4B 109.8 . . ?
C3 C4 H4B 109.8 . . ?
H4A C4 H4B 108.3 . . ?
N1 C5 C6 110.9(9) . . ?
N1 C5 H5A 109.5 . . ?
C6 C5 H5A 109.5 . . ?
N1 C5 H5B 109.5 . . ?
C6 C5 H5B 109.5 . . ?
H5A C5 H5B 108.0 . . ?
O3 C6 C5 110.0(11) . . ?
O3 C6 H6A 109.7 . . ?
C5 C6 H6A 109.7 . . ?
O3 C6 H6B 109.7 . . ?
C5 C6 H6B 109.7 . . ?
H6A C6 H6B 108.2 . . ?
O4 C7 C8 110.3(16) . . ?
O4 C7 H7A 109.6 . . ?
C8 C7 H7A 109.6 . . ?
O4 C7 H7B 109.6 . . ?
C8 C7 H7B 109.6 . . ?
H7A C7 H7B 108.1 . . ?
N2 C8 C7 111.2(13) . . ?
N2 C8 H8A 109.4 . . ?
C7 C8 H8A 109.4 . . ?
N2 C8 H8B 109.4 . . ?
C7 C8 H8B 109.4 . . ?
H8A C8 H8B 108.0 . . ?
N2 C9 C10 111.2(10) . . ?
N2 C9 H9A 109.4 . . ?
C10 C9 H9A 109.4 . . ?
N2 C9 H9B 109.4 . . ?
C10 C9 H9B 109.4 . . ?
H9A C9 H9B 108.0 . . ?
O5 C10 C9 110.0(10) . . ?
O5 C10 H10A 109.7 . . ?
C9 C10 H10A 109.7 . . ?
O5 C10 H10B 109.7 . . ?
C9 C10 H10B 109.7 . . ?
H10A C10 H10B 108.2 . . ?
N2 C11 C12 116.4(14) . . ?
N2 C11 H11A 108.2 . . ?
C12 C11 H11A 108.2 . . ?
N2 C11 H11B 108.2 . . ?
C12 C11 H11B 108.2 . . ?
H11A C11 H11B 107.4 . . ?
O6 C12 C11 118.8(16) . . ?
O6 C12 H12A 107.6 . . ?
C11 C12 H12A 107.6 . . ?
O6 C12 H12B 107.6 . . ?
C11 C12 H12B 107.6 . . ?
H12A C12 H12B 107.1 . . ?
O7 C13 C14B 112.7(17) . . ?
O7 C13 C14A 109.9(14) . . ?
C14B C13 C14A 36.1(18) . . ?
O7 C13 H13A 109.7 . . ?
C14B C13 H13A 75.5 . . ?
C14A C13 H13A 109.7 . . ?
O7 C13 H13B 109.7 . . ?
C14B C13 H13B 133.1 . . ?
C14A C13 H13B 109.7 . . ?
H13A C13 H13B 108.2 . . ?
N3 C14A C13 108.7(18) . . ?
N3 C14A H14A 110.0 . . ?
C13 C14A H14A 110.0 . . ?
N3 C14A H14B 110.0 . . ?
C13 C14A H14B 110.0 . . ?
H14A C14A H14B 108.3 . . ?
C13 C14B N3 116(2) . . ?
C13 C14B H14C 108.3 . . ?
N3 C14B H14C 108.3 . . ?
C13 C14B H14D 108.3 . . ?
N3 C14B H14D 108.3 . . ?
H14C C14B H14D 107.4 . . ?
C16 C15A N3 109.7(15) . . ?
C16 C15A H15A 109.7 . . ?
N3 C15A H15A 109.7 . . ?
C16 C15A H15B 109.7 . . ?
N3 C15A H15B 109.7 . . ?
H15A C15A H15B 108.2 . . ?
C16 C15B N3 113(2) . . ?
C16 C15B H15C 108.9 . . ?
N3 C15B H15C 108.9 . . ?
C16 C15B H15D 108.9 . . ?
N3 C15B H15D 108.9 . . ?
H15C C15B H15D 107.7 . . ?
O8 C16 C15B 113.4(13) . . ?
O8 C16 C15A 112.5(12) . . ?
C15B C16 C15A 36.0(13) . . ?
O8 C16 H16A 109.1 . . ?
C15B C16 H16A 75.5 . . ?
C15A C16 H16A 109.1 . . ?
O8 C16 H16B 109.1 . . ?
C15B C16 H16B 133.4 . . ?
C15A C16 H16B 109.1 . . ?
H16A C16 H16B 107.8 . . ?
C18 C17A N3 116(3) . . ?
C18 C17A H17A 108.4 . . ?
N3 C17A H17A 108.4 . . ?
C18 C17A H17B 108.4 . . ?
N3 C17A H17B 108.4 . . ?
H17A C17A H17B 107.4 . . ?
N3 C17B C18 107.5(17) . . ?
N3 C17B H17C 110.2 . . ?
C18 C17B H17C 110.2 . . ?
N3 C17B H17D 110.2 . . ?
C18 C17B H17D 110.2 . . ?
H17C C17B H17D 108.5 . . ?
C17A C18 O9 114(2) . . ?
C17A C18 C17B 32.8(19) . . ?
O9 C18 C17B 109.5(15) . . ?
C17A C18 H18A 108.7 . . ?
O9 C18 H18A 108.7 . . ?
C17B C18 H18A 80.7 . . ?
C17A C18 H18B 108.7 . . ?
O9 C18 H18B 108.7 . . ?
C17B C18 H18B 135.5 . . ?
H18A C18 H18B 107.6 . . ?
O11 C19 O10 114.1(9) . . ?
O11 C19 C19 109.4(9) . 2_665 ?
O10 C19 C19 102.5(6) . 2_665 ?
O11 C19 H19A 110.2 . . ?
O10 C19 H19A 110.2 . . ?
C19 C19 H19A 110.2 2_665 . ?
C1 O1 Fe2 135.0(7) . . ?
C1 O1 Dy2 116.2(7) . . ?
Fe2 O1 Dy2 108.0(3) . . ?
C4 O2 Dy2 121.2(7) . . ?
C4 O2 H21 119.4 . . ?
Dy2 O2 H21 119.4 . . ?
C6 O3 Fe3 130.5(7) . . ?
C6 O3 Dy2 125.2(7) . . ?
Fe3 O3 Dy2 104.3(3) . . ?
C7 O4 Dy2 119.4(8) . . ?
C7 O4 H41 116(10) . . ?
Dy2 O4 H41 109(10) . . ?
C10 O5 Fe2 128.1(8) . . ?
C10 O5 Dy2 124.9(8) . . ?
Fe2 O5 Dy2 107.1(3) . . ?
C12 O6 Fe3 130.8(9) . . ?
C12 O6 Dy2 124.5(9) . . ?
Fe3 O6 Dy2 104.5(4) . . ?
C13 O7 Fe1 119.2(7) . . ?
C13 O7 Dy1 130.7(8) . . ?
Fe1 O7 Dy1 106.9(3) . . ?
C16 O8 Fe1 119.7(6) . . ?
C16 O8 Fe2 122.8(7) . . ?
Fe1 O8 Fe2 109.8(3) . . ?
C18 O9 Fe1 122.1(9) . . ?
C18 O9 Fe3 127.8(8) . 2_665 ?
Fe1 O9 Fe3 107.7(3) . 2_665 ?
C19 O10 Fe2 123.3(5) . . ?
C19 O10 Fe1 108.5(5) . . ?
Fe2 O10 Fe1 100.6(2) . . ?
C19 O10 Dy1 114.5(5) . . ?
Fe2 O10 Dy1 110.8(3) . . ?
Fe1 O10 Dy1 93.7(2) . . ?
C19 O11 Fe1 117.7(6) . 2_665 ?
C19 O11 Fe3 127.3(7) . . ?
Fe1 O11 Fe3 104.2(3) 2_665 . ?
N4 O12 Dy1 91.3(10) . . ?
O14 C20 C21 144(7) . . ?
O14 C20 H20A 100.8 . . ?
C21 C20 H20A 100.8 . . ?
O14 C20 H20B 100.8 . . ?
C21 C20 H20B 100.8 . . ?
H20A C20 H20B 104.4 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O2 H21 O14 0.93 1.94 2.68(3) 134.7 1_565
O4 H41 N13 0.88(4) 1.93(8) 2.737(15) 153(15) 4_755

_diffrn_measured_fraction_theta_max 0.967
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.972
_refine_diff_density_max         0.923
_refine_diff_density_min         -1.793
_refine_diff_density_rms         0.165