# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_2014ncs0839
_database_code_depnum_ccdc_archive 'CCDC 1055917'
_audit_update_record             
;
2015-03-24 deposited with the CCDC.
2015-06-19 downloaded from the CCDC.
;
_audit_creation_date             2015-02-11
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_shelxl_version_number           2014-1
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         '2(C59.5 H78 Co2 Dy2 N8 O22), 4(C H4 O)'
_chemical_formula_sum            'C123 H172 Co4 Dy4 N16 O48'
_chemical_formula_weight         3528.48
_chemical_melting_point          ?
_chemical_oxdiff_formula         Dy2Co2C48H60N6O10
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'
Co Co 0.3494 0.9721 '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 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.0680(2)
_cell_length_b                   21.3940(3)
_cell_length_c                   26.2804(4)
_cell_angle_alpha                67.4228(15)
_cell_angle_beta                 86.9557(13)
_cell_angle_gamma                89.2403(12)
_cell_volume                     7292.9(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    52126
_cell_measurement_temperature    100
_cell_measurement_theta_max      29.2910
_cell_measurement_theta_min      1.7660
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.551
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.79432
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.607
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             3556
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.01
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0498
_diffrn_reflns_av_unetI/netI     0.0562
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.897
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            117090
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.897
_diffrn_reflns_theta_full        27.500
_diffrn_reflns_theta_max         29.418
_diffrn_reflns_theta_min         1.599
_diffrn_ambient_temperature      100
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.897
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -78.00   22.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.0000  -72.0000  150.0000 100

#__ type_ start__ end____ width___ exp.time_
  2 omega  -71.00   22.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.0000  -72.0000  -30.0000 93

#__ type_ start__ end____ width___ exp.time_
  3 omega  -22.00   71.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.0000   72.0000   90.0000 93

#__ type_ start__ end____ width___ exp.time_
  4 omega  -93.00  -14.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.0000    0.0000  -30.0000 79

#__ type_ start__ end____ width___ exp.time_
  5 omega  -32.00   -7.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.0000   54.0000  -60.0000 25

#__ type_ start__ end____ width___ exp.time_
  6 omega   -5.00   20.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.0000  -72.0000    0.0000 25

#__ type_ start__ end____ width___ exp.time_
  7 omega -109.00   53.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.0000    0.0000    0.0000 162

#__ type_ start__ end____ width___ exp.time_
  8 omega -109.00   22.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.0000  -72.0000 -180.0000 131

#__ type_ start__ end____ width___ exp.time_
  9 omega  -78.00  -52.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.0000  -72.0000   30.0000 26
;
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type  
'dtrek-CrysAlisPro-abstract goniometer imported rigaku-d*trek images'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0073870000
_diffrn_orient_matrix_UB_12      -0.0189409000
_diffrn_orient_matrix_UB_13      0.0287355000
_diffrn_orient_matrix_UB_21      0.0344841000
_diffrn_orient_matrix_UB_22      0.0202528000
_diffrn_orient_matrix_UB_23      0.0053875000
_diffrn_orient_matrix_UB_31      -0.0361349000
_diffrn_orient_matrix_UB_32      0.0228117000
_diffrn_orient_matrix_UB_33      0.0013941000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                29530
_reflns_number_total             36189
_reflns_odcompleteness_completeness 89.93
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     29.35
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         6.752
_refine_diff_density_min         -4.744
_refine_diff_density_rms         0.238
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.112
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1666
_refine_ls_number_reflns         36189
_refine_ls_number_restraints     32
_refine_ls_R_factor_all          0.1027
_refine_ls_R_factor_gt           0.0838
_refine_ls_restrained_S_all      1.113
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0600P)²+147.9280P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1858
_refine_ls_wR_factor_ref         0.1945
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 C141-C143
 1.53 with sigma of 0.02
 C151-C152
 1.53 with sigma of 0.02
 C153-C151
 1.53 with sigma of 0.02
 C151-C154
 1.53 with sigma of 0.02
 C105-C106
 1.53 with sigma of 0.02
 C105-C108
 1.53 with sigma of 0.02
 C105-C107
 1.53 with sigma of 0.02
 C128-O127
 1.43 with sigma of 0.02
 C124-O123
 1.43 with sigma of 0.02
 C126-O125
 1.43 with sigma of 0.02
 O0AA-C2AA
 1.43 with sigma of 0.02
3. Rigid bond restraints
 C46, C47, C48
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C106, C107, C108
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 O127, C128
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C105, C106, C107, C108
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C45, C46, C47, C48
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 O125, C126
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C128, O127, C124, O123, C126, O125
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
C46 \\sim C47 \\sim C48: within 1.7A with sigma of 0.04 and sigma for terminal
atoms of 0.08
C106 \\sim C107 \\sim C108: within 1.7A with sigma of 0.04 and sigma for
terminal atoms of 0.08
O127 \\sim C128: within 1.7A with sigma of 0.04 and sigma for terminal atoms of
0.08
C105 \\sim C106 \\sim C107 \\sim C108: within 1.7A with sigma of 0.04 and sigma
for terminal atoms of 0.08
C45 \\sim C46 \\sim C47 \\sim C48: within 1.7A with sigma of 0.04 and sigma for
terminal atoms of 0.08
O125 \\sim C126: within 1.7A with sigma of 0.04 and sigma for terminal atoms of
0.08
C128 \\sim O127 \\sim C124 \\sim O123 \\sim O125 \\sim C126: within 1.7A with
sigma of 0.04 and sigma for terminal atoms of 0.08
Uanis(C55) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
Uanis(C110) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
Uanis(C55) \\sim Ueq, Uanis(C110) \\sim Ueq: with sigma of 0.2 and sigma for
terminal atoms of 0.3
Uiso(C47) = Uiso(C46) = Uiso(C48)
Uanis(C111) = Uanis(C110) = Uanis(C113) = Uanis(C112)
Uanis(C57) = Uanis(C55) = Uanis(C58) = Uanis(C56)
Uanis(O42) = Uanis(N8) = Uanis(O43) = Uanis(O44)
5. Rigid body (RIGU) restrains
 C46, C47, C48
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C106, C107, C108
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 O127, C128
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C105, C106, C107, C108
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C45, C46, C47, C48
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 O125, C126
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C45, C46, C47, C48
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C105, C106, C107, C108
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 O127, C128, C126, O125, C124, O123
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Others
 Fixed Sof: C45(0.5) C46(0.5) H46A(0.5) H46B(0.5) H46C(0.5) C47(0.5) H47A(0.5)
 H47B(0.5) H47C(0.5) C48(0.5) H48A(0.5) H48B(0.5) H48C(0.5) C55(0.5) C105(0.5)
 C106(0.5) H10J(0.5) H10K(0.5) H10L(0.5) C107(0.5) H10M(0.5) H10N(0.5)
 H10O(0.5) C108(0.5) H10P(0.5) H10Q(0.5) H10R(0.5) C110(0.5) C144(0.5)
 H14A(0.5) H14B(0.5) H14C(0.5) C143(0.5) H14E(0.5) H14F(0.5) H14D(0.5)
 C142(0.5) H14G(0.5) H14H(0.5) H14I(0.5) C141(0.5) C153(0.5) H15A(0.5)
 H15B(0.5) H15C(0.5) C151(0.5) C154(0.5) H15D(0.5) H15E(0.5) H15F(0.5)
 C152(0.5) H15G(0.5) H15H(0.5) H15I(0.5)
7.a Riding coordinates:
 C1(H1A,H1B,H1C)
7.b Me refined with riding coordinates:
 C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C20(H20A,H20B,H20C), C30(H30A,H30B,
 H30C), C31(H31A,H31B,H31C), C41(H41A,H41B,H41C), C42(H42A,H42B,H42C), C43(H43A,
 H43B,H43C), C46(H46A,H46B,H46C), C47(H47A,H47B,H47C), C48(H48A,H48B,H48C),
 C51(H51A,H51B,H51C), C52(H52A,H52B,H52C), C53(H53A,H53B,H53C), C56(H56A,H56B,
 H56C), C57(H57A,H57B,H57C), C58(H58A,H58B,H58C), C59(H59A,H59B,H59C), C60(H60A,
 H60B,H60C), C71(H71A,H71B,H71C), C72(H72A,H72B,H72C), C80(H80A,H80B,H80C),
 C90(H90A,H90B,H90C), C91(H91A,H91B,H91C), C101(H10A,H10B,H10C), C102(H10D,H10E,
 H10F), C103(H10G,H10H,H10I), C106(H10J,H10K,H10L), C107(H10M,H10N,H10O),
 C108(H10P,H10Q,H10R), C111(H11D,H11E,H11F), C112(H11G,H11H,H11I), C113(H11J,
 H11K,H11L), C116(H11M,H11N,H11O), C117(H11P,H11Q,H11R), C118(H11S,H11T,H11U),
 C119(H11V,H11W,H11X), C120(H12D,H12E,H12F), C126(H12G,H12H,H12I), C124(H12J,
 H12K,H12L), C128(H12M,H12N,H12O), C144(H14A,H14B,H14C), C143(H14E,H14F,H14D),
 C142(H14G,H14H,H14I), C153(H15A,H15B,H15C), C154(H15D,H15E,H15F), C152(H15G,
 H15H,H15I), C2AA(H2AA,H2AB,H2AC)
7.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C8(H8), C14(H14), C0AA(H0AA), C16(H16), C17(H17),
 C18(H18), C22(H22), C23(H23), C24(H24), C27(H27), C33(H33), C34(H34), C35(H35),
  C36(H36), C37(H37), C63(H63), C64(H64), C65(H65), C68(H68), C74(H74),
 C75(H75), C76(H76), C77(H77), C78(H78), C82(H82), C83(H83), C84(H84), C87(H87),
  C93(H93), C94(H94), C95(H95), C96(H96), C97(H97)
7.d Idealised Me refined as rotating group:
 C61(H61A,H61B,H61C)
7.e Idealised tetrahedral OH refined as rotating group:
 O125(H125), O123(H123), O127(H127), O0AA(H0AB)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.03611(3) 0.97232(2) 0.23601(2) 0.01439(8) Uani 1 1 d . . . . .
Dy2 Dy 0.44924(3) 1.03316(2) 0.26493(2) 0.01358(8) Uani 1 1 d . . . . .
Co1 Co 0.19883(7) 1.03414(5) 0.29494(4) 0.0128(2) Uani 1 1 d . . . . .
Co2 Co 0.28622(7) 0.97207(5) 0.20675(4) 0.0135(2) Uani 1 1 d . . . . .
O1 O -0.0816(4) 1.0651(3) 0.2130(2) 0.0214(12) Uani 1 1 d . . . . .
O2 O 0.0888(4) 1.0739(3) 0.2412(2) 0.0138(11) Uani 1 1 d . . . . .
O3 O 0.4193(4) 1.1178(3) 0.2969(2) 0.0156(11) Uani 1 1 d . . . . .
O4 O 0.5695(4) 0.9417(3) 0.2857(2) 0.0199(12) Uani 1 1 d . . . . .
O5 O 0.3954(4) 0.9322(3) 0.2591(2) 0.0163(11) Uani 1 1 d . . . . .
O6 O 0.0621(4) 0.8863(3) 0.2046(2) 0.0200(12) Uani 1 1 d . . . . .
O7 O 0.0988(4) 1.0032(3) 0.3605(2) 0.0187(12) Uani 1 1 d . . . . .
O8 O -0.0164(4) 0.9714(3) 0.3208(2) 0.0193(12) Uani 1 1 d . . . . .
O9 O 0.4678(4) 0.9783(3) 0.3625(2) 0.0214(12) Uani 1 1 d . . . . .
O10 O 0.3185(4) 0.9893(3) 0.3412(2) 0.0177(11) Uani 1 1 d . . . . .
O11 O 0.3852(4) 1.0031(3) 0.1401(2) 0.0195(12) Uani 1 1 d . . . . .
O12 O 0.5015(4) 1.0361(3) 0.1796(2) 0.0196(12) Uani 1 1 d . . . . .
O13 O 0.0183(4) 1.0250(3) 0.1372(2) 0.0236(13) Uani 1 1 d . . . . .
O14 O 0.1664(4) 1.0156(3) 0.1608(2) 0.0176(11) Uani 1 1 d . . . . .
O15 O 0.3030(4) 1.0581(3) 0.2286(2) 0.0147(11) Uani 1 1 d . . . . .
O16 O 0.1834(4) 0.9484(3) 0.2732(2) 0.0142(11) Uani 1 1 d . . . . .
O17 O 0.6068(4) 1.0860(3) 0.2511(2) 0.0180(12) Uani 1 1 d . . . . .
O18 O 0.5042(4) 1.1517(3) 0.1969(2) 0.0179(12) Uani 1 1 d . . . . .
O19 O 0.6509(5) 1.1844(3) 0.1901(3) 0.0332(16) Uani 1 1 d . . . . .
O20 O -0.0196(4) 0.8547(3) 0.3055(2) 0.0205(12) Uani 1 1 d . . . . .
O21 O -0.1222(4) 0.9195(3) 0.2514(2) 0.0200(12) Uani 1 1 d . . . . .
O22 O -0.1682(4) 0.8243(3) 0.3168(3) 0.0278(14) Uani 1 1 d . . . . .
N9 N 0.0710(5) 0.8572(4) 0.1283(3) 0.0212(15) Uani 1 1 d . . . . .
N10 N 0.1429(5) 0.8382(5) 0.0986(3) 0.0277(18) Uani 1 1 d . . . . .
N11 N 0.2790(5) 0.8800(4) 0.1939(3) 0.0189(14) Uani 1 1 d . . . . .
N12 N 0.4147(5) 1.1464(4) 0.3734(3) 0.0195(14) Uani 1 1 d . . . . .
N13 N 0.3450(5) 1.1698(4) 0.4015(3) 0.0218(15) Uani 1 1 d . . . . .
N14 N 0.2059(5) 1.1268(3) 0.3082(3) 0.0151(13) Uani 1 1 d . . . . .
N15 N 0.5879(5) 1.1420(4) 0.2120(3) 0.0195(14) Uani 1 1 d . . . . .
N16 N -0.1047(5) 0.8653(4) 0.2917(3) 0.0188(14) Uani 1 1 d . . . . .
C1 C -0.1683(6) 1.0682(5) 0.1850(4) 0.0256(19) Uani 1 1 d . . . . .
H1A H -0.1691 1.0313 0.1716 0.038 Uiso 1 1 d R . . . .
H1B H -0.1712 1.1117 0.1538 0.038 Uiso 1 1 d R . . . .
H1C H -0.2233 1.0635 0.2108 0.038 Uiso 1 1 d R . . . .
C2 C -0.0669(6) 1.1164(4) 0.2316(3) 0.0161(15) Uani 1 1 d . . . . .
C3 C -0.1351(6) 1.1606(4) 0.2351(4) 0.0213(17) Uani 1 1 d . . . . .
H3 H -0.1977 1.1577 0.2244 0.026 Uiso 1 1 calc R . . . .
C4 C -0.1112(6) 1.2111(4) 0.2550(4) 0.0212(17) Uani 1 1 d . . . . .
H4 H -0.1576 1.2427 0.2574 0.025 Uiso 1 1 calc R . . . .
C5 C -0.0208(6) 1.2136(4) 0.2708(3) 0.0191(16) Uani 1 1 d . . . . .
H5 H -0.0046 1.2480 0.2835 0.023 Uiso 1 1 calc R . . . .
C6 C 0.0492(5) 1.1667(4) 0.2689(3) 0.0145(15) Uani 1 1 d . . . . .
C1AA C 0.0272(6) 1.1180(4) 0.2474(3) 0.0159(15) Uani 1 1 d . . . . .
C8 C 0.1382(6) 1.1712(4) 0.2938(3) 0.0167(15) Uani 1 1 d . . . . .
H8 H 0.1476 1.2114 0.3003 0.020 Uiso 1 1 calc R . . . .
C9 C 0.2715(6) 1.1396(4) 0.3414(3) 0.0179(16) Uani 1 1 d . . . . .
C10 C 0.2582(6) 1.1610(4) 0.3838(3) 0.0170(16) Uani 1 1 d . . . . .
C11 C 0.1698(6) 1.1728(5) 0.4112(4) 0.0250(19) Uani 1 1 d . . . . .
H11A H 0.1736 1.1502 0.4513 0.037 Uiso 1 1 calc R . . . .
H11B H 0.1156 1.1544 0.3993 0.037 Uiso 1 1 calc R . . . .
H11C H 0.1613 1.2215 0.4013 0.037 Uiso 1 1 calc R . . . .
C12 C 0.3605(7) 1.1557(6) 0.4601(4) 0.033(2) Uani 1 1 d . . . . .
H12A H 0.3470 1.1079 0.4824 0.049 Uiso 1 1 calc R . . . .
H12B H 0.3178 1.1839 0.4729 0.049 Uiso 1 1 calc R . . . .
H12C H 0.4267 1.1661 0.4639 0.049 Uiso 1 1 calc R . . . .
C13 C 0.5127(6) 1.1599(5) 0.3740(3) 0.0220(17) Uani 1 1 d . . . . .
C14 C 0.5444(7) 1.2191(5) 0.3773(4) 0.027(2) Uani 1 1 d . . . . .
H14 H 0.5001 1.2525 0.3784 0.033 Uiso 1 1 calc R . . . .
C0AA C 0.6415(8) 1.2295(5) 0.3791(4) 0.032(2) Uani 1 1 d . . . . .
H0AA H 0.6632 1.2688 0.3837 0.039 Uiso 1 1 calc R . . . .
C16 C 0.7067(7) 1.1823(6) 0.3743(4) 0.034(2) Uani 1 1 d . . . . .
H16 H 0.7731 1.1899 0.3743 0.041 Uiso 1 1 calc R . . . .
C17 C 0.6743(7) 1.1241(6) 0.3693(4) 0.035(2) Uani 1 1 d . . . . .
H17 H 0.7189 1.0924 0.3652 0.042 Uiso 1 1 calc R . . . .
C18 C 0.5781(7) 1.1117(5) 0.3703(4) 0.0258(19) Uani 1 1 d . . . . .
H18 H 0.5564 1.0708 0.3685 0.031 Uiso 1 1 calc R . . . .
C19 C 0.3712(6) 1.1308(4) 0.3335(3) 0.0158(15) Uani 1 1 d . . . . .
C20 C 0.6566(6) 0.9384(5) 0.3134(4) 0.0218(17) Uani 1 1 d . . . . .
H20A H 0.7114 0.9422 0.2877 0.033 Uiso 1 1 calc R . . . .
H20B H 0.6591 0.8952 0.3450 0.033 Uiso 1 1 calc R . . . .
H20C H 0.6583 0.9757 0.3263 0.033 Uiso 1 1 calc R . . . .
C21 C 0.5540(6) 0.8921(4) 0.2655(3) 0.0187(16) Uani 1 1 d . . . . .
C22 C 0.6246(6) 0.8505(4) 0.2584(4) 0.0213(17) Uani 1 1 d . . . . .
H22 H 0.6880 0.8546 0.2675 0.026 Uiso 1 1 calc R . . . .
C23 C 0.6010(7) 0.8019(5) 0.2373(4) 0.0263(19) Uani 1 1 d . . . . .
H23 H 0.6487 0.7727 0.2321 0.032 Uiso 1 1 calc R . . . .
C24 C 0.5092(7) 0.7966(5) 0.2241(4) 0.0253(19) Uani 1 1 d . . . . .
H24 H 0.4935 0.7625 0.2111 0.030 Uiso 1 1 calc R . . . .
C25 C 0.4372(6) 0.8411(4) 0.2294(4) 0.0201(17) Uani 1 1 d . . . . .
C26 C 0.4587(6) 0.8897(4) 0.2513(3) 0.0170(15) Uani 1 1 d . . . . .
C27 C 0.3476(6) 0.8363(4) 0.2068(3) 0.0194(17) Uani 1 1 d . . . . .
H27 H 0.3374 0.7961 0.2005 0.023 Uiso 1 1 calc R . . . .
C28 C 0.2114(7) 0.8668(5) 0.1612(4) 0.0240(18) Uani 1 1 d . . . . .
C29 C 0.2273(6) 0.8487(5) 0.1170(4) 0.0261(19) Uani 1 1 d . . . . .
C30 C 0.3192(7) 0.8441(6) 0.0877(5) 0.037(3) Uani 1 1 d . . . . .
H30A H 0.3333 0.7965 0.0952 0.055 Uiso 1 1 calc R . . . .
H30B H 0.3703 0.8639 0.1007 0.055 Uiso 1 1 calc R . . . .
H30C H 0.3142 0.8689 0.0479 0.055 Uiso 1 1 calc R . . . .
C31 C 0.1285(8) 0.8466(7) 0.0419(4) 0.041(3) Uani 1 1 d . . . . .
H31A H 0.0638 0.8320 0.0393 0.061 Uiso 1 1 calc R . . . .
H31B H 0.1746 0.8191 0.0306 0.061 Uiso 1 1 calc R . . . .
H31C H 0.1372 0.8944 0.0177 0.061 Uiso 1 1 calc R . . . .
C32 C -0.0263(6) 0.8412(5) 0.1269(3) 0.0231(18) Uani 1 1 d . . . . .
C33 C -0.0516(8) 0.7794(6) 0.1257(4) 0.033(2) Uani 1 1 d . . . . .
H33 H -0.0039 0.7477 0.1254 0.040 Uiso 1 1 calc R . . . .
C34 C -0.1451(9) 0.7643(7) 0.1251(5) 0.047(3) Uani 1 1 d . . . . .
H34 H -0.1627 0.7228 0.1228 0.056 Uiso 1 1 calc R . . . .
C35 C -0.2142(8) 0.8093(8) 0.1278(5) 0.053(4) Uani 1 1 d . . . . .
H35 H -0.2795 0.7985 0.1277 0.064 Uiso 1 1 calc R . . . .
C36 C -0.1895(8) 0.8694(8) 0.1306(5) 0.048(3) Uani 1 1 d . . . . .
H36 H -0.2379 0.8996 0.1333 0.058 Uiso 1 1 calc R . . . .
C37 C -0.0944(6) 0.8871(6) 0.1295(4) 0.029(2) Uani 1 1 d . . . . .
H37 H -0.0769 0.9293 0.1305 0.035 Uiso 1 1 calc R . . . .
C38 C 0.1118(6) 0.8732(4) 0.1688(3) 0.0203(17) Uani 1 1 d . . . . .
C39 C 0.4690(6) 1.0217(4) 0.1417(3) 0.0169(16) Uani 1 1 d . . . . .
C40 C 0.5390(6) 1.0272(6) 0.0932(4) 0.028(2) Uani 1 1 d . . . . .
C41 C 0.6350(8) 1.0571(8) 0.0976(5) 0.056(4) Uani 1 1 d . . . . .
H41A H 0.6263 1.1040 0.0942 0.084 Uiso 1 1 calc R . . . .
H41B H 0.6796 1.0559 0.0681 0.084 Uiso 1 1 calc R . . . .
H41C H 0.6606 1.0304 0.1335 0.084 Uiso 1 1 calc R . . . .
C42 C 0.5567(10) 0.9532(7) 0.0974(6) 0.054(3) Uani 1 1 d . . . . .
H42A H 0.5794 0.9259 0.1339 0.081 Uiso 1 1 calc R . . . .
H42B H 0.6046 0.9536 0.0689 0.081 Uiso 1 1 calc R . . . .
H42C H 0.4971 0.9338 0.0921 0.081 Uiso 1 1 calc R . . . .
C43 C 0.4941(9) 1.0668(8) 0.0391(4) 0.053(4) Uani 1 1 d . . . . .
H43A H 0.4346 1.0446 0.0373 0.080 Uiso 1 1 calc R . . . .
H43B H 0.5380 1.0685 0.0083 0.080 Uiso 1 1 calc R . . . .
H43C H 0.4807 1.1129 0.0366 0.080 Uiso 1 1 calc R . . . .
C44 C 0.1055(6) 1.0354(5) 0.1241(3) 0.0219(18) Uani 1 1 d . . . . .
C45_b C 0.1381(14) 1.0663(11) 0.0612(8) 0.015(4) Uiso 0.5 1 d . U P A 2
C46_b C 0.2228(15) 1.1239(11) 0.0563(9) 0.034(3) Uiso 0.5 1 d . U P A 2
H46A_b H 0.1937 1.1614 0.0642 0.051 Uiso 0.5 1 calc R . P A 2
H46B_b H 0.2527 1.1413 0.0190 0.051 Uiso 0.5 1 calc R . P A 2
H46C_b H 0.2711 1.1024 0.0831 0.051 Uiso 0.5 1 calc R . P A 2
C47_b C 0.2006(15) 1.0177(11) 0.0451(9) 0.034(3) Uiso 0.5 1 d . U P A 2
H47A_b H 0.2461 0.9966 0.0737 0.051 Uiso 0.5 1 calc R . P A 2
H47B_b H 0.2353 1.0426 0.0099 0.051 Uiso 0.5 1 calc R . P A 2
H47C_b H 0.1608 0.9826 0.0414 0.051 Uiso 0.5 1 calc R . P A 2
C48_b C 0.0807(15) 1.0377(11) 0.0301(9) 0.034(3) Uiso 0.5 1 d . U P A 2
H48A_b H 0.0954 0.9896 0.0408 0.051 Uiso 0.5 1 calc R . P A 2
H48B_b H 0.0955 1.0617 -0.0095 0.051 Uiso 0.5 1 calc R . P A 2
H48C_b H 0.0130 1.0427 0.0384 0.051 Uiso 0.5 1 calc R . P A 2
C49 C 0.0146(6) 0.9859(4) 0.3585(3) 0.0180(16) Uani 1 1 d . . . . .
C50 C -0.0566(6) 0.9844(4) 0.4054(3) 0.0211(17) Uani 1 1 d . . . . .
C51 C -0.0672(7) 1.0565(5) 0.4021(4) 0.027(2) Uani 1 1 d . . . . .
H51A H -0.0052 1.0738 0.4063 0.041 Uiso 1 1 calc R . . . .
H51B H -0.1122 1.0574 0.4316 0.041 Uiso 1 1 calc R . . . .
H51C H -0.0912 1.0850 0.3662 0.041 Uiso 1 1 calc R . . . .
C52 C -0.1528(7) 0.9570(6) 0.3995(4) 0.031(2) Uani 1 1 d . . . . .
H52A H -0.1770 0.9849 0.3636 0.047 Uiso 1 1 calc R . . . .
H52B H -0.1977 0.9583 0.4290 0.047 Uiso 1 1 calc R . . . .
H52C H -0.1458 0.9102 0.4023 0.047 Uiso 1 1 calc R . . . .
C53 C -0.0166(8) 0.9399(5) 0.4607(4) 0.031(2) Uani 1 1 d . . . . .
H53A H -0.0128 0.8930 0.4633 0.046 Uiso 1 1 calc R . . . .
H53B H -0.0585 0.9420 0.4910 0.046 Uiso 1 1 calc R . . . .
H53C H 0.0472 0.9561 0.4631 0.046 Uiso 1 1 calc R . . . .
C54 C 0.3819(6) 0.9686(4) 0.3773(3) 0.0186(16) Uani 1 1 d . . . . .
C55 C 0.354(2) 0.9302(15) 0.4384(10) 0.0551(19) Uani 0.5 1 d . U P . .
C56_a C 0.2555(10) 0.9365(8) 0.4522(5) 0.0551(19) Uani 1 1 d . . . B 1
H56A_a H 0.2401 0.9844 0.4422 0.083 Uiso 1 1 calc R . . B 1
H56B_a H 0.2426 0.9119 0.4919 0.083 Uiso 1 1 calc R . . B 1
H56C_a H 0.2164 0.9174 0.4318 0.083 Uiso 1 1 calc R . . B 1
C57_a C 0.3842(10) 0.8575(7) 0.4517(5) 0.0551(19) Uani 1 1 d . . . C 1
H57A_a H 0.3438 0.8371 0.4329 0.083 Uiso 1 1 calc R . . C 1
H57B_a H 0.3771 0.8320 0.4917 0.083 Uiso 1 1 calc R . . C 1
H57C_a H 0.4508 0.8565 0.4392 0.083 Uiso 1 1 calc R . . C 1
C58_a C 0.4181(10) 0.9549(7) 0.4718(5) 0.0551(19) Uani 1 1 d . . . D 1
H58A_a H 0.4849 0.9520 0.4603 0.083 Uiso 1 1 calc R . . D 1
H58B_a H 0.4077 0.9267 0.5111 0.083 Uiso 1 1 calc R . . D 1
H58C_a H 0.4029 1.0021 0.4655 0.083 Uiso 1 1 calc R . . D 1
C59 C 0.1924(7) 0.8825(4) 0.3156(3) 0.0229(18) Uani 1 1 d . . . . .
H59A H 0.1473 0.8778 0.3466 0.034 Uiso 1 1 calc R . . . .
H59B H 0.2574 0.8767 0.3282 0.034 Uiso 1 1 calc R . . . .
H59C H 0.1785 0.8480 0.3010 0.034 Uiso 1 1 calc R . . . .
C60 C 0.2926(6) 1.1229(4) 0.1856(4) 0.0215(17) Uani 1 1 d . . . . .
H60A H 0.3019 1.1582 0.2000 0.032 Uiso 1 1 calc R . . . .
H60B H 0.2286 1.1265 0.1718 0.032 Uiso 1 1 calc R . . . .
H60C H 0.3401 1.1284 0.1555 0.032 Uiso 1 1 calc R . . . .
Dy3 Dy 0.48547(3) 0.54017(2) 0.25685(2) 0.02039(9) Uani 1 1 d . . . . .
Dy4 Dy 0.90731(3) 0.47477(2) 0.23265(2) 0.01815(9) Uani 1 1 d . . . . .
Co3 Co 0.72873(8) 0.53885(6) 0.28811(4) 0.0181(2) Uani 1 1 d . . . . .
Co4 Co 0.66349(8) 0.47501(6) 0.20097(4) 0.0158(2) Uani 1 1 d . . . . .
O23 O 0.3641(5) 0.4490(3) 0.2783(3) 0.0253(14) Uani 1 1 d . . . . .
O24 O 0.5434(4) 0.4386(3) 0.2528(2) 0.0197(12) Uani 1 1 d . . . . .
O25 O 0.8898(4) 0.3895(3) 0.2018(2) 0.0198(12) Uani 1 1 d . . . . .
O26 O 1.0281(4) 0.5652(3) 0.2109(3) 0.0242(13) Uani 1 1 d . . . . .
O27 O 0.8504(4) 0.5764(3) 0.2374(2) 0.0195(12) Uani 1 1 d . . . . .
O28 O 0.5052(4) 0.6255(3) 0.2882(3) 0.0244(13) Uani 1 1 d . . . . .
O29 O 0.8093(5) 0.5040(3) 0.3563(2) 0.0240(13) Uani 1 1 d . . . . .
O30 O 0.9378(5) 0.4728(3) 0.3191(2) 0.0258(14) Uani 1 1 d . . . . .
O31 O 0.4504(5) 0.4825(4) 0.3554(3) 0.0304(15) Uani 1 1 d . . . . .
O32 O 0.6007(5) 0.4967(3) 0.3322(2) 0.0242(13) Uani 1 1 d . . . . .
O33 O 0.5754(4) 0.5041(3) 0.1348(2) 0.0196(12) Uani 1 1 d . . . . .
O34 O 0.4529(5) 0.5417(3) 0.1720(3) 0.0239(13) Uani 1 1 d . . . . .
O35 O 0.9438(4) 0.5278(3) 0.1333(2) 0.0233(13) Uani 1 1 d . . . . .
O36 O 0.7918(4) 0.5174(3) 0.1559(2) 0.0199(12) Uani 1 1 d . . . . .
O37 O 0.7535(4) 0.4513(3) 0.2671(2) 0.0192(12) Uani 1 1 d . . . . .
O38 O 0.6396(4) 0.5630(3) 0.2212(2) 0.0177(12) Uani 1 1 d . . . . .
O39 O 0.4412(4) 0.6593(3) 0.1870(3) 0.0255(14) Uani 1 1 d . . . . .
O40 O 0.3312(5) 0.5941(3) 0.2419(3) 0.0303(15) Uani 1 1 d . . . . .
O41 O 0.2947(5) 0.6925(4) 0.1794(4) 0.046(2) Uani 1 1 d . . . . .
O42 O 1.0637(4) 0.4240(3) 0.2497(3) 0.0251(7) Uani 1 1 d . . . . .
O43 O 0.9516(4) 0.3567(3) 0.3031(3) 0.0251(7) Uani 1 1 d . . . . .
O44 O 1.0991(4) 0.3257(3) 0.3155(3) 0.0251(7) Uani 1 1 d . . . . .
N1 N 0.8993(5) 0.3557(4) 0.1280(3) 0.0194(14) Uani 1 1 d . . . . .
N2 N 0.8356(5) 0.3309(4) 0.1010(3) 0.0203(15) Uani 1 1 d . . . . .
N3 N 0.6756(5) 0.3800(4) 0.1920(3) 0.0178(14) Uani 1 1 d . . . . .
N4 N 0.4919(6) 0.6700(4) 0.3545(3) 0.0270(17) Uani 1 1 d . . . . .
N5 N 0.5538(6) 0.6818(4) 0.3903(3) 0.0292(18) Uani 1 1 d . . . . .
N6 N 0.7171(6) 0.6319(4) 0.3017(3) 0.0218(15) Uani 1 1 d . . . . .
N7 N 0.3532(6) 0.6506(4) 0.2019(4) 0.0297(18) Uani 1 1 d . . . . .
N8 N 1.0387(5) 0.3661(4) 0.2904(3) 0.0251(7) Uani 1 1 d . . . . .
C61 C 1.1199(7) 0.5674(5) 0.1826(4) 0.031(2) Uani 1 1 d . . . . .
H61A H 1.1703 0.5611 0.2085 0.047 Uiso 1 1 calc GR . . . .
H61B H 1.1285 0.6114 0.1520 0.047 Uiso 1 1 calc GR . . . .
H61C H 1.1231 0.5313 0.1683 0.047 Uiso 1 1 calc GR . . . .
C62 C 1.0092(6) 0.6159(5) 0.2302(4) 0.0229(18) Uani 1 1 d . . . . .
C63 C 1.0752(8) 0.6579(5) 0.2358(4) 0.032(2) Uani 1 1 d . . . . .
H63 H 1.1402 0.6539 0.2257 0.038 Uiso 1 1 calc R . . . .
C64 C 1.0480(8) 0.7070(5) 0.2564(4) 0.034(2) Uani 1 1 d . . . . .
H64 H 1.0941 0.7369 0.2601 0.040 Uiso 1 1 calc R . . . .
C65 C 0.9539(7) 0.7119(5) 0.2714(4) 0.028(2) Uani 1 1 d . . . . .
H65 H 0.9350 0.7462 0.2843 0.033 Uiso 1 1 calc R . . . .
C66 C 0.8849(7) 0.6665(5) 0.2678(4) 0.0235(18) Uani 1 1 d . . . . .
C67 C 0.9120(7) 0.6187(4) 0.2449(3) 0.0227(18) Uani 1 1 d . . . . .
C68 C 0.7903(6) 0.6738(4) 0.2892(3) 0.0195(16) Uani 1 1 d . . . . .
H68 H 0.7794 0.7145 0.2951 0.023 Uiso 1 1 calc R . . . .
C69 C 0.6418(7) 0.6491(4) 0.3312(3) 0.0223(18) Uani 1 1 d . . . . .
C70 C 0.6447(7) 0.6709(5) 0.3736(4) 0.0257(19) Uani 1 1 d . . . . .
C71 C 0.7280(7) 0.6788(6) 0.4035(4) 0.031(2) Uani 1 1 d . . . . .
H71A H 0.7455 0.7268 0.3905 0.047 Uiso 1 1 calc R . . . .
H71B H 0.7819 0.6532 0.3964 0.047 Uiso 1 1 calc R . . . .
H71C H 0.7114 0.6615 0.4432 0.047 Uiso 1 1 calc R . . . .
C72 C 0.5309(9) 0.7372(6) 0.4084(5) 0.040(3) Uani 1 1 d . . . . .
H72A H 0.5301 0.7800 0.3762 0.060 Uiso 1 1 calc R . . . .
H72B H 0.5791 0.7397 0.4332 0.060 Uiso 1 1 calc R . . . .
H72C H 0.4682 0.7289 0.4280 0.060 Uiso 1 1 calc R . . . .
C73 C 0.3928(8) 0.6637(5) 0.3672(4) 0.029(2) Uani 1 1 d . . . . .
C74 C 0.3363(10) 0.7191(6) 0.3610(6) 0.053(3) Uani 1 1 d . . . . .
H74 H 0.3633 0.7633 0.3482 0.063 Uiso 1 1 calc R . . . .
C75 C 0.2377(11) 0.7089(8) 0.3740(6) 0.071(5) Uani 1 1 d . . . . .
H75 H 0.1981 0.7469 0.3692 0.085 Uiso 1 1 calc R . . . .
C76 C 0.1986(9) 0.6467(7) 0.3929(6) 0.053(3) Uani 1 1 d . . . . .
H76 H 0.1320 0.6414 0.4015 0.063 Uiso 1 1 calc R . . . .
C77 C 0.2538(9) 0.5898(7) 0.4002(6) 0.053(3) Uani 1 1 d . . . . .
H77 H 0.2262 0.5458 0.4138 0.063 Uiso 1 1 calc R . . . .
C78 C 0.3525(8) 0.5998(6) 0.3865(5) 0.038(2) Uani 1 1 d . . . . .
H78 H 0.3917 0.5618 0.3906 0.045 Uiso 1 1 calc R . . . .
C79 C 0.5440(7) 0.6457(5) 0.3210(4) 0.0236(18) Uani 1 1 d . . . . .
C80 C 0.2734(7) 0.4457(6) 0.3077(5) 0.035(2) Uani 1 1 d . . . . .
H80A H 0.2670 0.4851 0.3180 0.052 Uiso 1 1 calc R . . . .
H80B H 0.2697 0.4042 0.3411 0.052 Uiso 1 1 calc R . . . .
H80C H 0.2220 0.4458 0.2840 0.052 Uiso 1 1 calc R . . . .
C81 C 0.3879(6) 0.3938(4) 0.2650(4) 0.0218(17) Uani 1 1 d . . . . .
C82 C 0.3238(7) 0.3465(5) 0.2643(4) 0.0237(18) Uani 1 1 d . . . . .
H82 H 0.2583 0.3496 0.2739 0.028 Uiso 1 1 calc R . . . .
C83 C 0.3562(7) 0.2938(4) 0.2494(4) 0.0244(19) Uani 1 1 d . . . . .
H83 H 0.3124 0.2604 0.2495 0.029 Uiso 1 1 calc R . . . .
C84 C 0.4485(7) 0.2894(4) 0.2348(3) 0.0218(17) Uani 1 1 d . . . . .
H84 H 0.4691 0.2526 0.2253 0.026 Uiso 1 1 calc R . . . .
C85 C 0.5153(6) 0.3394(4) 0.2333(3) 0.0194(17) Uani 1 1 d . . . . .
C86 C 0.4860(6) 0.3917(4) 0.2503(3) 0.0191(16) Uani 1 1 d . . . . .
C87 C 0.6092(6) 0.3337(4) 0.2095(3) 0.0194(16) Uani 1 1 d . . . . .
H87 H 0.6236 0.2918 0.2063 0.023 Uiso 1 1 calc R . . . .
C88 C 0.7513(6) 0.3650(4) 0.1603(3) 0.0200(17) Uani 1 1 d . . . . .
C89 C 0.7458(6) 0.3415(4) 0.1188(3) 0.0194(16) Uani 1 1 d . . . . .
C90 C 0.6624(7) 0.3310(5) 0.0916(4) 0.0255(19) Uani 1 1 d . . . . .
H90A H 0.6684 0.3595 0.0522 0.038 Uiso 1 1 calc R . . . .
H90B H 0.6046 0.3431 0.1081 0.038 Uiso 1 1 calc R . . . .
H90C H 0.6587 0.2833 0.0964 0.038 Uiso 1 1 calc R . . . .
C91 C 0.8604(8) 0.3395(6) 0.0439(4) 0.033(2) Uani 1 1 d . . . . .
H91A H 0.8519 0.3869 0.0195 0.049 Uiso 1 1 calc R . . . .
H91B H 0.8190 0.3106 0.0332 0.049 Uiso 1 1 calc R . . . .
H91C H 0.9269 0.3267 0.0407 0.049 Uiso 1 1 calc R . . . .
C92 C 0.9978(6) 0.3405(5) 0.1283(3) 0.0209(17) Uani 1 1 d . . . . .
C93 C 1.0285(8) 0.2784(5) 0.1293(4) 0.031(2) Uani 1 1 d . . . . .
H93 H 0.9842 0.2455 0.1289 0.038 Uiso 1 1 calc R . . . .
C94 C 1.1260(8) 0.2649(6) 0.1311(4) 0.042(3) Uani 1 1 d . . . . .
H94 H 1.1489 0.2232 0.1304 0.050 Uiso 1 1 calc R . . . .
C95 C 1.1874(8) 0.3114(8) 0.1336(5) 0.050(3) Uani 1 1 d . . . . .
H95 H 1.2533 0.3009 0.1356 0.059 Uiso 1 1 calc R . . . .
C96 C 1.1589(8) 0.3736(7) 0.1334(5) 0.042(3) Uani 1 1 d . . . . .
H96 H 1.2039 0.4052 0.1351 0.051 Uiso 1 1 calc R . . . .
C97 C 1.0622(7) 0.3884(5) 0.1305(4) 0.029(2) Uani 1 1 d . . . . .
H97 H 1.0402 0.4308 0.1300 0.035 Uiso 1 1 calc R . . . .
C98 C 0.8478(6) 0.3741(4) 0.1666(3) 0.0150(15) Uani 1 1 d . . . . .
C99 C 0.4902(7) 0.5217(4) 0.1361(4) 0.0226(18) Uani 1 1 d . . . . .
C100 C 0.4275(7) 0.5174(5) 0.0923(4) 0.0243(19) Uani 1 1 d . . . . .
C101 C 0.4217(7) 0.4423(5) 0.1004(4) 0.029(2) Uani 1 1 d . . . . .
H10A H 0.4860 0.4252 0.0979 0.043 Uiso 1 1 calc R . . . .
H10B H 0.3839 0.4379 0.0717 0.043 Uiso 1 1 calc R . . . .
H10C H 0.3914 0.4162 0.1368 0.043 Uiso 1 1 calc R . . . .
C102 C 0.4737(8) 0.5580(5) 0.0356(4) 0.036(2) Uani 1 1 d . . . . .
H10D H 0.4760 0.6060 0.0300 0.054 Uiso 1 1 calc R . . . .
H10E H 0.4364 0.5525 0.0071 0.054 Uiso 1 1 calc R . . . .
H10F H 0.5385 0.5417 0.0331 0.054 Uiso 1 1 calc R . . . .
C103 C 0.3275(8) 0.5440(6) 0.0982(5) 0.039(3) Uani 1 1 d . . . . .
H10G H 0.2989 0.5175 0.1349 0.059 Uiso 1 1 calc R . . . .
H10H H 0.2879 0.5400 0.0700 0.059 Uiso 1 1 calc R . . . .
H10I H 0.3318 0.5917 0.0933 0.059 Uiso 1 1 calc R . . . .
C104 C 0.8588(6) 0.5371(4) 0.1195(3) 0.0197(17) Uani 1 1 d . . . . .
C105_a C 0.8376(14) 0.5715(11) 0.0553(13) 0.023(10) Uiso 0.5 1 d D U P E 1
C106_a C 0.9167(16) 0.5409(12) 0.0275(10) 0.043(5) Uiso 0.5 1 d D U P E 1
H10J_a H 0.9793 0.5571 0.0319 0.065 Uiso 0.5 1 calc R . P E 1
H10K_a H 0.9058 0.5550 -0.0119 0.065 Uiso 0.5 1 calc R . P E 1
H10L_a H 0.9143 0.4913 0.0451 0.065 Uiso 0.5 1 calc R . P E 1
C107_a C 0.7887(15) 0.5163(10) 0.0423(8) 0.031(4) Uiso 0.5 1 d D U P E 1
H10M_a H 0.8352 0.4815 0.0428 0.046 Uiso 0.5 1 calc R . P E 1
H10N_a H 0.7628 0.5362 0.0057 0.046 Uiso 0.5 1 calc R . P E 1
H10O_a H 0.7370 0.4957 0.0700 0.046 Uiso 0.5 1 calc R . P E 1
C108_a C 0.7583(13) 0.6243(9) 0.0517(8) 0.029(4) Uiso 0.5 1 d D U P E 1
H10P_a H 0.7023 0.6014 0.0747 0.044 Uiso 0.5 1 calc R . P E 1
H10Q_a H 0.7409 0.6468 0.0133 0.044 Uiso 0.5 1 calc R . P E 1
H10R_a H 0.7820 0.6581 0.0648 0.044 Uiso 0.5 1 calc R . P E 1
C109 C 0.8932(8) 0.4857(5) 0.3570(4) 0.027(2) Uani 1 1 d . . . . .
C110 C 0.949(3) 0.478(2) 0.4073(14) 0.086(3) Uani 0.5 1 d . U P . .
C111_a C 1.0415(13) 0.4449(10) 0.4075(7) 0.086(3) Uani 1 1 d . . . F 1
H11D_a H 1.0310 0.3993 0.4085 0.128 Uiso 1 1 calc R . . F 1
H11E_a H 1.0750 0.4421 0.4400 0.128 Uiso 1 1 calc R . . F 1
H11F_a H 1.0799 0.4713 0.3740 0.128 Uiso 1 1 calc R . . F 1
C112_a C 0.9725(14) 0.5453(10) 0.4051(7) 0.086(3) Uani 1 1 d . . . G 1
H11G_a H 1.0125 0.5694 0.3717 0.128 Uiso 1 1 calc R . . G 1
H11H_a H 1.0071 0.5411 0.4377 0.128 Uiso 1 1 calc R . . G 1
H11I_a H 0.9138 0.5707 0.4044 0.128 Uiso 1 1 calc R . . G 1
C113_a C 0.8934(13) 0.4366(10) 0.4587(6) 0.086(3) Uani 1 1 d . . . H 1
H11J_a H 0.8395 0.4629 0.4646 0.128 Uiso 1 1 calc R . . H 1
H11K_a H 0.9343 0.4238 0.4901 0.128 Uiso 1 1 calc R . . H 1
H11L_a H 0.8697 0.3956 0.4551 0.128 Uiso 1 1 calc R . . H 1
C114 C 0.5351(8) 0.4742(5) 0.3688(4) 0.027(2) Uani 1 1 d . . . . .
C115 C 0.5560(7) 0.4396(5) 0.4297(4) 0.028(2) Uani 1 1 d . . . . .
C116 C 0.6251(9) 0.3817(6) 0.4368(4) 0.040(3) Uani 1 1 d . . . . .
H11M H 0.5995 0.3516 0.4205 0.061 Uiso 1 1 calc R . . . .
H11N H 0.6334 0.3562 0.4762 0.061 Uiso 1 1 calc R . . . .
H11O H 0.6867 0.4001 0.4182 0.061 Uiso 1 1 calc R . . . .
C117 C 0.6020(9) 0.4914(6) 0.4471(4) 0.037(2) Uani 1 1 d . . . . .
H11P H 0.6623 0.5069 0.4257 0.056 Uiso 1 1 calc R . . . .
H11Q H 0.6140 0.4707 0.4865 0.056 Uiso 1 1 calc R . . . .
H11R H 0.5593 0.5300 0.4404 0.056 Uiso 1 1 calc R . . . .
C118 C 0.4633(9) 0.4111(6) 0.4649(4) 0.045(3) Uani 1 1 d . . . . .
H11S H 0.4192 0.4483 0.4611 0.068 Uiso 1 1 calc R . . . .
H11T H 0.4781 0.3881 0.5037 0.068 Uiso 1 1 calc R . . . .
H11U H 0.4338 0.3788 0.4522 0.068 Uiso 1 1 calc R . . . .
C119 C 0.7360(7) 0.3868(5) 0.3091(4) 0.0244(18) Uani 1 1 d . . . . .
H11V H 0.7534 0.3518 0.2949 0.037 Uiso 1 1 calc R . . . .
H11W H 0.6683 0.3823 0.3208 0.037 Uiso 1 1 calc R . . . .
H11X H 0.7741 0.3815 0.3406 0.037 Uiso 1 1 calc R . . . .
C120 C 0.6585(7) 0.6280(4) 0.1777(4) 0.0248(19) Uani 1 1 d . . . . .
H12D H 0.6192 0.6332 0.1466 0.037 Uiso 1 1 calc R . . . .
H12E H 0.7259 0.6312 0.1654 0.037 Uiso 1 1 calc R . . . .
H12F H 0.6433 0.6638 0.1913 0.037 Uiso 1 1 calc R . . . .
O125 O 0.3762(17) 0.7391(16) 0.0187(11) 0.207(10) Uiso 1 1 d D U . . .
H125 H 0.3894 0.7591 -0.0153 0.311 Uiso 1 1 calc GR . . . .
C126 C 0.4693(16) 0.7308(13) 0.0512(10) 0.116(8) Uiso 1 1 d D U . . .
H12G H 0.5176 0.7073 0.0370 0.174 Uiso 1 1 calc R . . . .
H12H H 0.4549 0.7043 0.0905 0.174 Uiso 1 1 calc R . . . .
H12I H 0.4935 0.7756 0.0464 0.174 Uiso 1 1 calc R . . . .
O123 O 0.8790(14) 0.7520(10) 0.4682(8) 0.147(7) Uiso 1 1 d D U . . .
H123 H 0.8600 0.7160 0.4939 0.220 Uiso 1 1 calc GR . . . .
C124 C 0.9640(12) 0.7360(9) 0.4342(7) 0.080(5) Uiso 1 1 d D U . . .
H12J H 0.9702 0.7723 0.3974 0.120 Uiso 1 1 calc R . . . .
H12K H 0.9519 0.6929 0.4307 0.120 Uiso 1 1 calc R . . . .
H12L H 1.0230 0.7330 0.4532 0.120 Uiso 1 1 calc R . . . .
O127 O 0.863(2) 0.2460(15) 0.4697(10) 0.219(11) Uiso 1 1 d D U . . .
H127 H 0.8328 0.2819 0.4537 0.329 Uiso 1 1 calc GR . . . .
C128 C 0.9331(10) 0.2345(7) 0.4293(6) 0.056(3) Uiso 1 1 d D U . . .
H12M H 0.9135 0.2597 0.3917 0.084 Uiso 1 1 calc R . . . .
H12N H 0.9357 0.1861 0.4364 0.084 Uiso 1 1 calc R . . . .
H12O H 0.9963 0.2503 0.4334 0.084 Uiso 1 1 calc R . . . .
C144_a C 0.0879(15) 1.1441(10) 0.0467(8) 0.032(4) Uiso 0.5 1 d . . P A 1
H14A_a H 0.0195 1.1364 0.0556 0.048 Uiso 0.5 1 calc R . P A 1
H14B_a H 0.0992 1.1666 0.0066 0.048 Uiso 0.5 1 calc R . P A 1
H14C_a H 0.1122 1.1726 0.0647 0.048 Uiso 0.5 1 calc R . P A 1
C143_a C 0.064(2) 1.0979(17) 0.0227(12) 0.067(8) Uiso 0.5 1 d D . P A 1
H14E_a H 0.0324 1.0563 0.0249 0.101 Uiso 0.5 1 calc R . P A 1
H14F_a H 0.0961 1.1199 -0.0139 0.101 Uiso 0.5 1 calc R . P A 1
H14D_a H 0.0168 1.1287 0.0288 0.101 Uiso 0.5 1 calc R . P A 1
C142_a C 0.237(2) 1.0725(16) 0.0502(13) 0.063(8) Uiso 0.5 1 d . . P A 1
H14G_a H 0.2783 1.0937 0.0680 0.095 Uiso 0.5 1 calc R . P A 1
H14H_a H 0.2477 1.0940 0.0101 0.095 Uiso 0.5 1 calc R . P A 1
H14I_a H 0.2515 1.0241 0.0625 0.095 Uiso 0.5 1 calc R . P A 1
C141_a C 0.1357(19) 1.0809(14) 0.0656(10) 0.036(7) Uiso 0.5 1 d D . P A 1
C153_b C 0.877(2) 0.6425(11) 0.0408(11) 0.055(7) Uiso 0.5 1 d D . P E 2
H15A_b H 0.8261 0.6707 0.0470 0.083 Uiso 0.5 1 calc R . P E 2
H15B_b H 0.8953 0.6587 0.0013 0.083 Uiso 0.5 1 calc R . P E 2
H15C_b H 0.9325 0.6451 0.0611 0.083 Uiso 0.5 1 calc R . P E 2
C151_b C 0.8426(18) 0.5689(12) 0.0613(14) 0.034(13) Uiso 0.5 1 d D . P E 2
C154_b C 0.747(2) 0.556(2) 0.0437(16) 0.084(11) Uiso 0.5 1 d D . P E 2
H15D_b H 0.7329 0.5071 0.0595 0.127 Uiso 0.5 1 calc R . P E 2
H15E_b H 0.7477 0.5722 0.0033 0.127 Uiso 0.5 1 calc R . P E 2
H15F_b H 0.6972 0.5796 0.0567 0.127 Uiso 0.5 1 calc R . P E 2
C152_b C 0.9255(15) 0.6044(11) 0.0234(9) 0.039(5) Uiso 0.5 1 d D . P E 2
H15G_b H 0.9499 0.6395 0.0347 0.058 Uiso 0.5 1 calc R . P E 2
H15H_b H 0.9050 0.6253 -0.0145 0.058 Uiso 0.5 1 calc R . P E 2
H15I_b H 0.9759 0.5717 0.0252 0.058 Uiso 0.5 1 calc R . P E 2
O0AA O 0.507(3) 0.777(2) -0.0723(16) 0.302(18) Uiso 1 1 d D . . . .
H0AB H 0.4907 0.8047 -0.1030 0.453 Uiso 1 1 calc GR . . . .
C2AA C 0.577(2) 0.7320(14) -0.0809(12) 0.136(10) Uiso 1 1 d D . . . .
H2AA H 0.5862 0.7419 -0.1205 0.204 Uiso 1 1 calc R . . . .
H2AB H 0.5556 0.6850 -0.0616 0.204 Uiso 1 1 calc R . . . .
H2AC H 0.6374 0.7386 -0.0666 0.204 Uiso 1 1 calc R . . . .


_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 Co1 3.3790(11) . ?
Dy1 O1 2.479(6) . ?
Dy1 O2 2.359(5) . ?
Dy1 O6 2.306(6) . ?
Dy1 O8 2.303(5) . ?
Dy1 O13 2.428(6) . ?
Dy1 O14 2.525(6) . ?
Dy1 O16 2.304(5) . ?
Dy1 O20 2.579(6) . ?
Dy1 O21 2.454(6) . ?
Dy1 N16 2.924(7) . ?
Dy1 C44 2.848(8) . ?
Dy2 Co2 3.3602(11) . ?
Dy2 O3 2.297(5) . ?
Dy2 O4 2.486(6) . ?
Dy2 O5 2.360(6) . ?
Dy2 O9 2.402(6) . ?
Dy2 O10 2.547(6) . ?
Dy2 O12 2.299(6) . ?
Dy2 O15 2.283(6) . ?
Dy2 O17 2.448(6) . ?
Dy2 O18 2.579(6) . ?
Dy2 N15 2.917(7) . ?
Dy2 C54 2.852(8) . ?
Co1 O2 2.096(6) . ?
Co1 O7 2.068(6) . ?
Co1 O10 2.124(6) . ?
Co1 O15 2.124(5) . ?
Co1 O16 2.139(5) . ?
Co1 N14 2.144(7) . ?
Co2 O5 2.065(6) . ?
Co2 O11 2.079(6) . ?
Co2 O14 2.116(5) . ?
Co2 O15 2.147(5) . ?
Co2 O16 2.114(6) . ?
Co2 N11 2.126(7) . ?
O1 C1 1.445(10) . ?
O1 C2 1.383(10) . ?
O2 C1AA 1.322(9) . ?
O3 C19 1.261(10) . ?
O4 C20 1.446(10) . ?
O4 C21 1.380(10) . ?
O5 C26 1.329(10) . ?
O6 C38 1.257(10) . ?
O7 C49 1.256(10) . ?
O8 C49 1.247(10) . ?
O9 C54 1.245(11) . ?
O10 C54 1.285(10) . ?
O11 C39 1.257(10) . ?
O12 C39 1.259(9) . ?
O13 C44 1.256(11) . ?
O14 C44 1.269(10) . ?
O15 C60 1.424(9) . ?
O16 C59 1.431(9) . ?
O17 N15 1.279(9) . ?
O18 N15 1.252(9) . ?
O19 N15 1.227(9) . ?
O20 N16 1.261(9) . ?
O21 N16 1.267(9) . ?
O22 N16 1.232(9) . ?
N9 N10 1.396(10) . ?
N9 C32 1.420(11) . ?
N9 C38 1.390(10) . ?
N10 C29 1.359(11) . ?
N10 C31 1.454(11) . ?
N11 C27 1.300(11) . ?
N11 C28 1.416(11) . ?
N12 N13 1.396(10) . ?
N12 C13 1.414(11) . ?
N12 C19 1.388(10) . ?
N13 C10 1.370(11) . ?
N13 C12 1.481(11) . ?
N14 C8 1.300(11) . ?
N14 C9 1.402(11) . ?
C1 H1A 0.9798 . ?
C1 H1B 0.9801 . ?
C1 H1C 0.9800 . ?
C2 C3 1.363(12) . ?
C2 C1AA 1.413(11) . ?
C3 H3 0.9500 . ?
C3 C4 1.419(13) . ?
C4 H4 0.9500 . ?
C4 C5 1.367(12) . ?
C5 H5 0.9500 . ?
C5 C6 1.410(11) . ?
C6 C1AA 1.407(11) . ?
C6 C8 1.465(11) . ?
C8 H8 0.9500 . ?
C9 C10 1.362(11) . ?
C9 C19 1.428(12) . ?
C10 C11 1.472(11) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.383(13) . ?
C13 C18 1.401(13) . ?
C14 H14 0.9500 . ?
C14 C0AA 1.393(14) . ?
C0AA H0AA 0.9500 . ?
C0AA C16 1.394(16) . ?
C16 H16 0.9500 . ?
C16 C17 1.385(15) . ?
C17 H17 0.9500 . ?
C17 C18 1.380(13) . ?
C18 H18 0.9500 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.377(12) . ?
C21 C26 1.418(11) . ?
C22 H22 0.9500 . ?
C22 C23 1.402(12) . ?
C23 H23 0.9500 . ?
C23 C24 1.373(13) . ?
C24 H24 0.9500 . ?
C24 C25 1.418(12) . ?
C25 C26 1.411(12) . ?
C25 C27 1.443(11) . ?
C27 H27 0.9500 . ?
C28 C29 1.367(12) . ?
C28 C38 1.416(13) . ?
C29 C30 1.490(12) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 C33 1.387(14) . ?
C32 C37 1.381(14) . ?
C33 H33 0.9500 . ?
C33 C34 1.361(15) . ?
C34 H34 0.9500 . ?
C34 C35 1.38(2) . ?
C35 H35 0.9500 . ?
C35 C36 1.37(2) . ?
C36 H36 0.9500 . ?
C36 C37 1.391(13) . ?
C37 H37 0.9500 . ?
C39 C40 1.538(11) . ?
C40 C41 1.531(14) . ?
C40 C42 1.560(17) . ?
C40 C43 1.515(14) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 C45_b 1.57(2) . ?
C44 C141_a 1.51(3) . ?
C45_b C46_b 1.69(3) . ?
C45_b C47_b 1.52(3) . ?
C45_b C48_b 1.47(3) . ?
C46_b H46A_b 0.9800 . ?
C46_b H46B_b 0.9800 . ?
C46_b H46C_b 0.9800 . ?
C47_b H47A_b 0.9800 . ?
C47_b H47B_b 0.9800 . ?
C47_b H47C_b 0.9800 . ?
C48_b H48A_b 0.9800 . ?
C48_b H48B_b 0.9800 . ?
C48_b H48C_b 0.9800 . ?
C49 C50 1.537(11) . ?
C50 C51 1.517(12) . ?
C50 C52 1.520(12) . ?
C50 C53 1.532(12) . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 C55 1.53(2) . ?
C55 C56_a 1.44(3) . ?
C55 C57_a 1.51(3) . ?
C55 C58_a 1.52(3) . ?
C56_a H56A_a 0.9800 . ?
C56_a H56B_a 0.9800 . ?
C56_a H56C_a 0.9800 . ?
C57_a H57A_a 0.9800 . ?
C57_a H57B_a 0.9800 . ?
C57_a H57C_a 0.9800 . ?
C58_a H58A_a 0.9800 . ?
C58_a H58B_a 0.9800 . ?
C58_a H58C_a 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
Dy3 Co4 3.3853(12) . ?
Dy3 O23 2.486(6) . ?
Dy3 O24 2.350(6) . ?
Dy3 O28 2.298(6) . ?
Dy3 O31 2.429(7) . ?
Dy3 O32 2.510(7) . ?
Dy3 O34 2.288(6) . ?
Dy3 O38 2.297(6) . ?
Dy3 O39 2.596(7) . ?
Dy3 O40 2.424(7) . ?
Dy3 N7 2.947(9) . ?
Dy3 C114 2.853(9) . ?
Dy4 Co3 3.3718(12) . ?
Dy4 O25 2.284(6) . ?
Dy4 O26 2.467(6) . ?
Dy4 O27 2.352(6) . ?
Dy4 O30 2.317(6) . ?
Dy4 O35 2.444(6) . ?
Dy4 O36 2.537(6) . ?
Dy4 O37 2.287(6) . ?
Dy4 O42 2.426(6) . ?
Dy4 O43 2.587(6) . ?
Dy4 N8 2.933(8) . ?
Dy4 C104 2.870(8) . ?
Co3 O27 2.080(6) . ?
Co3 O29 2.055(6) . ?
Co3 O32 2.102(6) . ?
Co3 O37 2.165(6) . ?
Co3 O38 2.110(6) . ?
Co3 N6 2.155(7) . ?
Co4 O24 2.072(6) . ?
Co4 O33 2.079(6) . ?
Co4 O36 2.115(6) . ?
Co4 O37 2.103(6) . ?
Co4 O38 2.162(6) . ?
Co4 N3 2.138(7) . ?
O23 C80 1.444(11) . ?
O23 C81 1.388(10) . ?
O24 C86 1.319(10) . ?
O25 C98 1.268(9) . ?
O26 C61 1.448(11) . ?
O26 C62 1.381(11) . ?
O27 C67 1.338(10) . ?
O28 C79 1.253(10) . ?
O29 C109 1.237(12) . ?
O30 C109 1.266(11) . ?
O31 C114 1.251(12) . ?
O32 C114 1.253(11) . ?
O33 C99 1.255(11) . ?
O34 C99 1.264(10) . ?
O35 C104 1.259(11) . ?
O36 C104 1.260(10) . ?
O37 C119 1.412(10) . ?
O38 C120 1.439(10) . ?
O39 N7 1.273(10) . ?
O40 N7 1.289(11) . ?
O41 N7 1.206(11) . ?
O42 N8 1.325(10) . ?
O43 N8 1.252(10) . ?
O44 N8 1.228(10) . ?
N1 N2 1.399(9) . ?
N1 C92 1.419(11) . ?
N1 C98 1.391(10) . ?
N2 C89 1.371(11) . ?
N2 C91 1.463(11) . ?
N3 C87 1.302(11) . ?
N3 C88 1.425(11) . ?
N4 N5 1.407(11) . ?
N4 C73 1.411(13) . ?
N4 C79 1.362(11) . ?
N5 C70 1.375(13) . ?
N5 C72 1.463(13) . ?
N6 C68 1.316(11) . ?
N6 C69 1.409(12) . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 C63 1.352(13) . ?
C62 C67 1.407(13) . ?
C63 H63 0.9500 . ?
C63 C64 1.396(15) . ?
C64 H64 0.9500 . ?
C64 C65 1.375(15) . ?
C65 H65 0.9500 . ?
C65 C66 1.413(12) . ?
C66 C67 1.411(13) . ?
C66 C68 1.448(13) . ?
C68 H68 0.9500 . ?
C69 C70 1.367(12) . ?
C69 C79 1.424(13) . ?
C70 C71 1.490(13) . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C73 C74 1.379(16) . ?
C73 C78 1.381(14) . ?
C74 H74 0.9500 . ?
C74 C75 1.410(19) . ?
C75 H75 0.9500 . ?
C75 C76 1.34(2) . ?
C76 H76 0.9500 . ?
C76 C77 1.390(18) . ?
C77 H77 0.9500 . ?
C77 C78 1.413(16) . ?
C78 H78 0.9500 . ?
C80 H80A 0.9800 . ?
C80 H80B 0.9800 . ?
C80 H80C 0.9800 . ?
C81 C82 1.370(12) . ?
C81 C86 1.418(12) . ?
C82 H82 0.9500 . ?
C82 C83 1.392(13) . ?
C83 H83 0.9500 . ?
C83 C84 1.347(13) . ?
C84 H84 0.9500 . ?
C84 C85 1.421(12) . ?
C85 C86 1.405(12) . ?
C85 C87 1.456(12) . ?
C87 H87 0.9500 . ?
C88 C89 1.370(11) . ?
C88 C98 1.402(12) . ?
C89 C90 1.469(12) . ?
C90 H90A 0.9800 . ?
C90 H90B 0.9800 . ?
C90 H90C 0.9800 . ?
C91 H91A 0.9800 . ?
C91 H91B 0.9800 . ?
C91 H91C 0.9800 . ?
C92 C93 1.383(13) . ?
C92 C97 1.397(13) . ?
C93 H93 0.9500 . ?
C93 C94 1.397(15) . ?
C94 H94 0.9500 . ?
C94 C95 1.349(19) . ?
C95 H95 0.9500 . ?
C95 C96 1.383(19) . ?
C96 H96 0.9500 . ?
C96 C97 1.391(14) . ?
C97 H97 0.9500 . ?
C99 C100 1.519(12) . ?
C100 C101 1.539(13) . ?
C100 C102 1.522(13) . ?
C100 C103 1.533(13) . ?
C101 H10A 0.9800 . ?
C101 H10B 0.9800 . ?
C101 H10C 0.9800 . ?
C102 H10D 0.9800 . ?
C102 H10E 0.9800 . ?
C102 H10F 0.9800 . ?
C103 H10G 0.9800 . ?
C103 H10H 0.9800 . ?
C103 H10I 0.9800 . ?
C104 C105_a 1.60(3) . ?
C104 C151_b 1.44(3) . ?
C105_a C106_a 1.570(17) . ?
C105_a C107_a 1.530(17) . ?
C105_a C108_a 1.558(17) . ?
C106_a H10J_a 0.9800 . ?
C106_a H10K_a 0.9800 . ?
C106_a H10L_a 0.9800 . ?
C107_a H10M_a 0.9800 . ?
C107_a H10N_a 0.9800 . ?
C107_a H10O_a 0.9800 . ?
C108_a H10P_a 0.9800 . ?
C108_a H10Q_a 0.9800 . ?
C108_a H10R_a 0.9800 . ?
C109 C110 1.53(3) . ?
C110 C111_a 1.47(4) . ?
C110 C112_a 1.46(4) . ?
C110 C113_a 1.49(4) . ?
C111_a H11D_a 0.9800 . ?
C111_a H11E_a 0.9800 . ?
C111_a H11F_a 0.9800 . ?
C112_a H11G_a 0.9800 . ?
C112_a H11H_a 0.9800 . ?
C112_a H11I_a 0.9800 . ?
C113_a H11J_a 0.9800 . ?
C113_a H11K_a 0.9800 . ?
C113_a H11L_a 0.9800 . ?
C114 C115 1.527(13) . ?
C115 C116 1.524(15) . ?
C115 C117 1.514(14) . ?
C115 C118 1.545(14) . ?
C116 H11M 0.9800 . ?
C116 H11N 0.9800 . ?
C116 H11O 0.9800 . ?
C117 H11P 0.9800 . ?
C117 H11Q 0.9800 . ?
C117 H11R 0.9800 . ?
C118 H11S 0.9800 . ?
C118 H11T 0.9800 . ?
C118 H11U 0.9800 . ?
C119 H11V 0.9800 . ?
C119 H11W 0.9800 . ?
C119 H11X 0.9800 . ?
C120 H12D 0.9800 . ?
C120 H12E 0.9800 . ?
C120 H12F 0.9800 . ?
O125 H125 0.8400 . ?
O125 C126 1.573(17) . ?
C126 H12G 0.9800 . ?
C126 H12H 0.9800 . ?
C126 H12I 0.9800 . ?
O123 H123 0.8400 . ?
O123 C124 1.568(16) . ?
C124 H12J 0.9800 . ?
C124 H12K 0.9800 . ?
C124 H12L 0.9800 . ?
O127 H127 0.8400 . ?
O127 C128 1.500(17) . ?
C128 H12M 0.9800 . ?
C128 H12N 0.9800 . ?
C128 H12O 0.9800 . ?
C144_a H14A_a 0.9800 . ?
C144_a H14B_a 0.9800 . ?
C144_a H14C_a 0.9800 . ?
C144_a C141_a 1.42(3) . ?
C143_a H14E_a 0.9800 . ?
C143_a H14F_a 0.9800 . ?
C143_a H14D_a 0.9800 . ?
C143_a C141_a 1.488(18) . ?
C142_a H14G_a 0.9800 . ?
C142_a H14H_a 0.9800 . ?
C142_a H14I_a 0.9800 . ?
C142_a C141_a 1.49(4) . ?
C153_b H15A_b 0.9800 . ?
C153_b H15B_b 0.9800 . ?
C153_b H15C_b 0.9800 . ?
C153_b C151_b 1.532(18) . ?
C151_b C154_b 1.514(19) . ?
C151_b C152_b 1.499(18) . ?
C154_b H15D_b 0.9800 . ?
C154_b H15E_b 0.9800 . ?
C154_b H15F_b 0.9800 . ?
C152_b H15G_b 0.9800 . ?
C152_b H15H_b 0.9800 . ?
C152_b H15I_b 0.9800 . ?
O0AA H0AB 0.8400 . ?
O0AA C2AA 1.433(18) . ?
C2AA H2AA 0.9800 . ?
C2AA H2AB 0.9800 . ?
C2AA H2AC 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Dy1 Co1 99.66(14) . . ?
O1 Dy1 O14 104.61(19) . . ?
O1 Dy1 O20 117.2(2) . . ?
O1 Dy1 N16 94.5(2) . . ?
O1 Dy1 C44 85.9(2) . . ?
O2 Dy1 Co1 37.84(14) . . ?
O2 Dy1 O1 64.3(2) . . ?
O2 Dy1 O13 93.0(2) . . ?
O2 Dy1 O14 75.42(18) . . ?
O2 Dy1 O20 136.14(18) . . ?
O2 Dy1 O21 131.67(19) . . ?
O2 Dy1 N16 138.67(19) . . ?
O2 Dy1 C44 83.1(2) . . ?
O6 Dy1 Co1 125.35(15) . . ?
O6 Dy1 O1 132.3(2) . . ?
O6 Dy1 O2 148.9(2) . . ?
O6 Dy1 O13 75.2(2) . . ?
O6 Dy1 O14 74.7(2) . . ?
O6 Dy1 O20 66.0(2) . . ?
O6 Dy1 O21 78.2(2) . . ?
O6 Dy1 N16 71.6(2) . . ?
O6 Dy1 C44 73.8(2) . . ?
O8 Dy1 Co1 66.91(15) . . ?
O8 Dy1 O1 76.3(2) . . ?
O8 Dy1 O2 72.53(19) . . ?
O8 Dy1 O6 131.9(2) . . ?
O8 Dy1 O13 145.0(2) . . ?
O8 Dy1 O14 143.6(2) . . ?
O8 Dy1 O16 85.4(2) . . ?
O8 Dy1 O20 66.2(2) . . ?
O8 Dy1 O21 76.4(2) . . ?
O8 Dy1 N16 68.0(2) . . ?
O8 Dy1 C44 154.3(2) . . ?
O13 Dy1 Co1 119.68(15) . . ?
O13 Dy1 O1 68.7(2) . . ?
O13 Dy1 O14 52.46(19) . . ?
O13 Dy1 O20 129.7(2) . . ?
O13 Dy1 O21 91.8(2) . . ?
O13 Dy1 N16 112.7(2) . . ?
O13 Dy1 C44 26.0(2) . . ?
O14 Dy1 Co1 77.28(13) . . ?
O14 Dy1 O20 135.31(19) . . ?
O14 Dy1 N16 145.91(19) . . ?
O14 Dy1 C44 26.5(2) . . ?
O16 Dy1 Co1 38.70(14) . . ?
O16 Dy1 O1 138.24(19) . . ?
O16 Dy1 O2 74.54(19) . . ?
O16 Dy1 O6 87.4(2) . . ?
O16 Dy1 O13 122.0(2) . . ?
O16 Dy1 O14 69.69(18) . . ?
O16 Dy1 O20 87.67(19) . . ?
O16 Dy1 O21 138.42(19) . . ?
O16 Dy1 N16 113.05(19) . . ?
O16 Dy1 C44 96.1(2) . . ?
O20 Dy1 Co1 108.72(13) . . ?
O20 Dy1 N16 25.51(19) . . ?
O20 Dy1 C44 139.4(2) . . ?
O21 Dy1 Co1 143.25(14) . . ?
O21 Dy1 O1 73.1(2) . . ?
O21 Dy1 O14 139.43(19) . . ?
O21 Dy1 O20 50.81(19) . . ?
O21 Dy1 N16 25.37(19) . . ?
O21 Dy1 C44 116.2(2) . . ?
N16 Dy1 Co1 127.44(14) . . ?
C44 Dy1 Co1 98.65(18) . . ?
C44 Dy1 N16 132.8(2) . . ?
O3 Dy2 Co2 123.76(14) . . ?
O3 Dy2 O4 133.57(19) . . ?
O3 Dy2 O5 147.3(2) . . ?
O3 Dy2 O9 76.5(2) . . ?
O3 Dy2 O10 73.28(19) . . ?
O3 Dy2 O12 131.8(2) . . ?
O3 Dy2 O17 79.0(2) . . ?
O3 Dy2 O18 65.94(19) . . ?
O3 Dy2 N15 71.2(2) . . ?
O3 Dy2 C54 73.4(2) . . ?
O4 Dy2 Co2 100.03(13) . . ?
O4 Dy2 O10 105.9(2) . . ?
O4 Dy2 O18 116.43(19) . . ?
O4 Dy2 N15 94.3(2) . . ?
O4 Dy2 C54 86.5(2) . . ?
O5 Dy2 Co2 37.42(14) . . ?
O5 Dy2 O4 65.23(19) . . ?
O5 Dy2 O9 92.2(2) . . ?
O5 Dy2 O10 75.51(19) . . ?
O5 Dy2 O17 132.6(2) . . ?
O5 Dy2 O18 136.77(18) . . ?
O5 Dy2 N15 140.54(19) . . ?
O5 Dy2 C54 83.1(2) . . ?
O9 Dy2 Co2 118.75(15) . . ?
O9 Dy2 O4 68.7(2) . . ?
O9 Dy2 O10 52.38(19) . . ?
O9 Dy2 O17 91.4(2) . . ?
O9 Dy2 O18 130.00(19) . . ?
O9 Dy2 N15 112.2(2) . . ?
O9 Dy2 C54 25.6(2) . . ?
O10 Dy2 Co2 77.22(12) . . ?
O10 Dy2 O18 134.53(18) . . ?
O10 Dy2 N15 143.95(19) . . ?
O10 Dy2 C54 26.8(2) . . ?
O12 Dy2 Co2 67.60(15) . . ?
O12 Dy2 O4 75.8(2) . . ?
O12 Dy2 O5 73.2(2) . . ?
O12 Dy2 O9 144.5(2) . . ?
O12 Dy2 O10 144.36(19) . . ?
O12 Dy2 O17 76.9(2) . . ?
O12 Dy2 O18 66.4(2) . . ?
O12 Dy2 N15 69.0(2) . . ?
O12 Dy2 C54 154.8(2) . . ?
O15 Dy2 Co2 39.18(14) . . ?
O15 Dy2 O3 85.47(19) . . ?
O15 Dy2 O4 139.17(19) . . ?
O15 Dy2 O5 74.70(19) . . ?
O15 Dy2 O9 122.1(2) . . ?
O15 Dy2 O10 69.78(18) . . ?
O15 Dy2 O12 85.7(2) . . ?
O15 Dy2 O17 138.49(19) . . ?
O15 Dy2 O18 87.42(18) . . ?
O15 Dy2 N15 112.76(19) . . ?
O15 Dy2 C54 96.5(2) . . ?
O17 Dy2 Co2 144.49(14) . . ?
O17 Dy2 O4 72.3(2) . . ?
O17 Dy2 O10 138.25(18) . . ?
O17 Dy2 O18 51.09(18) . . ?
O17 Dy2 N15 25.72(19) . . ?
O17 Dy2 C54 115.0(2) . . ?
O18 Dy2 Co2 109.41(13) . . ?
O18 Dy2 N15 25.38(18) . . ?
O18 Dy2 C54 138.7(2) . . ?
N15 Dy2 Co2 128.87(15) . . ?
C54 Dy2 Co2 98.62(17) . . ?
C54 Dy2 N15 131.2(2) . . ?
O2 Co1 Dy1 43.68(14) . . ?
O2 Co1 O10 172.2(2) . . ?
O2 Co1 O15 92.3(2) . . ?
O2 Co1 O16 83.7(2) . . ?
O2 Co1 N14 90.0(2) . . ?
O7 Co1 Dy1 82.63(16) . . ?
O7 Co1 O2 89.1(2) . . ?
O7 Co1 O10 96.8(2) . . ?
O7 Co1 O15 175.7(2) . . ?
O7 Co1 O16 96.2(2) . . ?
O7 Co1 N14 85.9(2) . . ?
O10 Co1 Dy1 131.96(16) . . ?
O10 Co1 O15 81.4(2) . . ?
O10 Co1 O16 90.6(2) . . ?
O10 Co1 N14 95.5(2) . . ?
O15 Co1 Dy1 95.62(16) . . ?
O15 Co1 O16 79.9(2) . . ?
O15 Co1 N14 98.2(2) . . ?
O16 Co1 Dy1 42.35(15) . . ?
O16 Co1 N14 173.3(2) . . ?
N14 Co1 Dy1 132.06(19) . . ?
O5 Co2 Dy2 44.00(15) . . ?
O5 Co2 O11 89.4(2) . . ?
O5 Co2 O14 173.2(2) . . ?
O5 Co2 O15 84.0(2) . . ?
O5 Co2 O16 92.4(2) . . ?
O5 Co2 N11 89.3(2) . . ?
O11 Co2 Dy2 83.10(16) . . ?
O11 Co2 O14 96.3(2) . . ?
O11 Co2 O15 96.3(2) . . ?
O11 Co2 O16 175.6(2) . . ?
O11 Co2 N11 85.8(3) . . ?
O14 Co2 Dy2 132.85(16) . . ?
O14 Co2 O15 91.6(2) . . ?
O14 Co2 N11 94.9(3) . . ?
O15 Co2 Dy2 42.21(15) . . ?
O16 Co2 Dy2 95.50(14) . . ?
O16 Co2 O14 81.6(2) . . ?
O16 Co2 O15 80.0(2) . . ?
O16 Co2 N11 98.2(2) . . ?
N11 Co2 Dy2 131.7(2) . . ?
N11 Co2 O15 172.9(2) . . ?
C1 O1 Dy1 125.7(5) . . ?
C2 O1 Dy1 117.6(5) . . ?
C2 O1 C1 116.6(7) . . ?
Co1 O2 Dy1 98.5(2) . . ?
C1AA O2 Dy1 120.9(5) . . ?
C1AA O2 Co1 122.2(5) . . ?
C19 O3 Dy2 142.1(5) . . ?
C20 O4 Dy2 126.0(5) . . ?
C21 O4 Dy2 116.4(5) . . ?
C21 O4 C20 117.5(6) . . ?
Co2 O5 Dy2 98.6(2) . . ?
C26 O5 Dy2 119.2(5) . . ?
C26 O5 Co2 122.3(5) . . ?
C38 O6 Dy1 140.5(6) . . ?
C49 O7 Co1 125.4(5) . . ?
C49 O8 Dy1 138.5(6) . . ?
C54 O9 Dy2 97.9(5) . . ?
Co1 O10 Dy2 99.3(2) . . ?
C54 O10 Dy2 90.0(5) . . ?
C54 O10 Co1 165.7(5) . . ?
C39 O11 Co2 124.6(5) . . ?
C39 O12 Dy2 137.4(5) . . ?
C44 O13 Dy1 96.0(5) . . ?
Co2 O14 Dy1 99.9(2) . . ?
C44 O14 Dy1 91.1(5) . . ?
C44 O14 Co2 164.2(6) . . ?
Co1 O15 Dy2 108.1(2) . . ?
Co1 O15 Co2 99.7(2) . . ?
Co2 O15 Dy2 98.6(2) . . ?
C60 O15 Dy2 116.9(5) . . ?
C60 O15 Co1 114.7(5) . . ?
C60 O15 Co2 116.3(5) . . ?
Co1 O16 Dy1 99.0(2) . . ?
Co2 O16 Dy1 107.4(2) . . ?
Co2 O16 Co1 100.3(2) . . ?
C59 O16 Dy1 115.4(5) . . ?
C59 O16 Co1 117.8(5) . . ?
C59 O16 Co2 114.8(5) . . ?
N15 O17 Dy2 98.1(4) . . ?
N15 O18 Dy2 92.6(4) . . ?
N16 O20 Dy1 92.7(4) . . ?
N16 O21 Dy1 98.5(5) . . ?
N10 N9 C32 122.0(7) . . ?
C38 N9 N10 108.7(7) . . ?
C38 N9 C32 126.5(7) . . ?
N9 N10 C31 119.3(8) . . ?
C29 N10 N9 107.2(7) . . ?
C29 N10 C31 124.3(8) . . ?
C27 N11 Co2 121.8(6) . . ?
C27 N11 C28 113.1(7) . . ?
C28 N11 Co2 123.8(6) . . ?
N13 N12 C13 122.1(7) . . ?
C19 N12 N13 108.2(7) . . ?
C19 N12 C13 126.3(7) . . ?
N12 N13 C12 116.4(7) . . ?
C10 N13 N12 107.9(7) . . ?
C10 N13 C12 122.3(7) . . ?
C8 N14 Co1 121.5(5) . . ?
C8 N14 C9 113.4(7) . . ?
C9 N14 Co1 124.1(5) . . ?
O17 N15 Dy2 56.2(4) . . ?
O18 N15 Dy2 62.0(4) . . ?
O18 N15 O17 118.1(7) . . ?
O19 N15 Dy2 175.6(6) . . ?
O19 N15 O17 120.2(7) . . ?
O19 N15 O18 121.7(7) . . ?
O20 N16 Dy1 61.8(4) . . ?
O20 N16 O21 117.6(7) . . ?
O21 N16 Dy1 56.1(4) . . ?
O22 N16 Dy1 174.1(6) . . ?
O22 N16 O20 120.9(7) . . ?
O22 N16 O21 121.5(7) . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O1 C2 C1AA 112.7(7) . . ?
C3 C2 O1 124.4(8) . . ?
C3 C2 C1AA 122.9(8) . . ?
C2 C3 H3 120.4 . . ?
C2 C3 C4 119.2(8) . . ?
C4 C3 H3 120.4 . . ?
C3 C4 H4 120.4 . . ?
C5 C4 C3 119.2(8) . . ?
C5 C4 H4 120.4 . . ?
C4 C5 H5 119.1 . . ?
C4 C5 C6 121.8(8) . . ?
C6 C5 H5 119.1 . . ?
C5 C6 C8 114.7(7) . . ?
C1AA C6 C5 119.4(7) . . ?
C1AA C6 C8 125.9(7) . . ?
O2 C1AA C2 118.3(7) . . ?
O2 C1AA C6 124.3(7) . . ?
C6 C1AA C2 117.5(7) . . ?
N14 C8 C6 127.7(7) . . ?
N14 C8 H8 116.1 . . ?
C6 C8 H8 116.1 . . ?
N14 C9 C19 121.2(7) . . ?
C10 C9 N14 130.8(8) . . ?
C10 C9 C19 108.0(7) . . ?
N13 C10 C11 120.5(7) . . ?
C9 C10 N13 109.1(7) . . ?
C9 C10 C11 130.4(8) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N13 C12 H12A 109.5 . . ?
N13 C12 H12B 109.5 . . ?
N13 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 N12 121.8(8) . . ?
C14 C13 C18 120.2(9) . . ?
C18 C13 N12 118.0(8) . . ?
C13 C14 H14 120.1 . . ?
C13 C14 C0AA 119.8(9) . . ?
C0AA C14 H14 120.1 . . ?
C14 C0AA H0AA 120.0 . . ?
C14 C0AA C16 119.9(9) . . ?
C16 C0AA H0AA 120.0 . . ?
C0AA C16 H16 120.2 . . ?
C17 C16 C0AA 119.7(9) . . ?
C17 C16 H16 120.2 . . ?
C16 C17 H17 119.6 . . ?
C18 C17 C16 120.8(10) . . ?
C18 C17 H17 119.6 . . ?
C13 C18 H18 120.3 . . ?
C17 C18 C13 119.4(9) . . ?
C17 C18 H18 120.3 . . ?
O3 C19 N12 121.5(7) . . ?
O3 C19 C9 132.0(7) . . ?
N12 C19 C9 106.2(7) . . ?
O4 C20 H20A 109.5 . . ?
O4 C20 H20B 109.5 . . ?
O4 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
O4 C21 C26 113.1(7) . . ?
C22 C21 O4 123.4(7) . . ?
C22 C21 C26 123.4(8) . . ?
C21 C22 H22 120.6 . . ?
C21 C22 C23 118.7(8) . . ?
C23 C22 H22 120.6 . . ?
C22 C23 H23 120.0 . . ?
C24 C23 C22 120.0(8) . . ?
C24 C23 H23 120.0 . . ?
C23 C24 H24 119.3 . . ?
C23 C24 C25 121.4(8) . . ?
C25 C24 H24 119.3 . . ?
C24 C25 C27 115.5(8) . . ?
C26 C25 C24 119.7(8) . . ?
C26 C25 C27 124.6(8) . . ?
O5 C26 C21 119.4(7) . . ?
O5 C26 C25 123.9(7) . . ?
C25 C26 C21 116.7(7) . . ?
N11 C27 C25 128.1(8) . . ?
N11 C27 H27 115.9 . . ?
C25 C27 H27 115.9 . . ?
N11 C28 C38 123.8(8) . . ?
C29 C28 N11 128.4(9) . . ?
C29 C28 C38 107.8(8) . . ?
N10 C29 C28 109.8(8) . . ?
N10 C29 C30 120.9(8) . . ?
C28 C29 C30 129.1(9) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
N10 C31 H31A 109.5 . . ?
N10 C31 H31B 109.5 . . ?
N10 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C33 C32 N9 120.3(9) . . ?
C37 C32 N9 118.4(8) . . ?
C37 C32 C33 121.2(9) . . ?
C32 C33 H33 120.2 . . ?
C34 C33 C32 119.7(11) . . ?
C34 C33 H33 120.2 . . ?
C33 C34 H34 120.0 . . ?
C33 C34 C35 120.0(12) . . ?
C35 C34 H34 120.0 . . ?
C34 C35 H35 119.8 . . ?
C36 C35 C34 120.4(10) . . ?
C36 C35 H35 119.8 . . ?
C35 C36 H36 119.6 . . ?
C35 C36 C37 120.8(13) . . ?
C37 C36 H36 119.6 . . ?
C32 C37 C36 117.8(11) . . ?
C32 C37 H37 121.1 . . ?
C36 C37 H37 121.1 . . ?
O6 C38 N9 121.8(8) . . ?
O6 C38 C28 132.1(8) . . ?
N9 C38 C28 106.0(7) . . ?
O11 C39 O12 126.1(8) . . ?
O11 C39 C40 117.4(7) . . ?
O12 C39 C40 116.5(7) . . ?
C39 C40 C42 106.1(8) . . ?
C41 C40 C39 111.7(7) . . ?
C41 C40 C42 107.6(10) . . ?
C43 C40 C39 109.8(8) . . ?
C43 C40 C41 112.4(10) . . ?
C43 C40 C42 108.8(10) . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C40 C43 H43A 109.5 . . ?
C40 C43 H43B 109.5 . . ?
C40 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
O13 C44 Dy1 58.0(4) . . ?
O13 C44 O14 120.3(8) . . ?
O13 C44 C45_b 118.7(9) . . ?
O13 C44 C141_a 118.9(12) . . ?
O14 C44 Dy1 62.4(4) . . ?
O14 C44 C45_b 120.7(10) . . ?
O14 C44 C141_a 120.1(12) . . ?
C45_b C44 Dy1 175.3(9) . . ?
C141_a C44 Dy1 169.3(13) . . ?
C44 C45_b C46_b 104.6(14) . . ?
C47_b C45_b C44 111.7(15) . . ?
C47_b C45_b C46_b 98.1(15) . . ?
C48_b C45_b C44 110.2(15) . . ?
C48_b C45_b C46_b 145.1(17) . . ?
C48_b C45_b C47_b 72.2(16) . . ?
C45_b C46_b H46A_b 109.5 . . ?
C45_b C46_b H46B_b 109.5 . . ?
C45_b C46_b H46C_b 109.5 . . ?
H46A_b C46_b H46B_b 109.5 . . ?
H46A_b C46_b H46C_b 109.5 . . ?
H46B_b C46_b H46C_b 109.5 . . ?
C45_b C47_b H47A_b 109.5 . . ?
C45_b C47_b H47B_b 109.5 . . ?
C45_b C47_b H47C_b 109.5 . . ?
H47A_b C47_b H47B_b 109.5 . . ?
H47A_b C47_b H47C_b 109.5 . . ?
H47B_b C47_b H47C_b 109.5 . . ?
C45_b C48_b H48A_b 109.5 . . ?
C45_b C48_b H48B_b 109.5 . . ?
C45_b C48_b H48C_b 109.5 . . ?
H48A_b C48_b H48B_b 109.5 . . ?
H48A_b C48_b H48C_b 109.5 . . ?
H48B_b C48_b H48C_b 109.5 . . ?
O7 C49 C50 117.5(7) . . ?
O8 C49 O7 125.1(7) . . ?
O8 C49 C50 117.4(7) . . ?
C51 C50 C49 107.4(7) . . ?
C51 C50 C52 109.8(8) . . ?
C51 C50 C53 109.9(8) . . ?
C52 C50 C49 111.0(7) . . ?
C52 C50 C53 110.0(8) . . ?
C53 C50 C49 108.8(8) . . ?
C50 C51 H51A 109.5 . . ?
C50 C51 H51B 109.5 . . ?
C50 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C50 C52 H52A 109.5 . . ?
C50 C52 H52B 109.5 . . ?
C50 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C50 C53 H53A 109.5 . . ?
C50 C53 H53B 109.5 . . ?
C50 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
O9 C54 Dy2 56.5(4) . . ?
O9 C54 O10 119.8(8) . . ?
O9 C54 C55 118.8(13) . . ?
O10 C54 Dy2 63.2(4) . . ?
O10 C54 C55 121.4(13) . . ?
C55 C54 Dy2 174.6(12) . . ?
C56_a C55 C54 113.2(18) . . ?
C56_a C55 C57_a 113(2) . . ?
C56_a C55 C58_a 111(2) . . ?
C57_a C55 C54 106.1(18) . . ?
C57_a C55 C58_a 104.4(18) . . ?
C58_a C55 C54 108.1(19) . . ?
C55 C56_a H56A_a 109.5 . . ?
C55 C56_a H56B_a 109.5 . . ?
C55 C56_a H56C_a 109.5 . . ?
H56A_a C56_a H56B_a 109.5 . . ?
H56A_a C56_a H56C_a 109.5 . . ?
H56B_a C56_a H56C_a 109.5 . . ?
C55 C57_a H57A_a 109.5 . . ?
C55 C57_a H57B_a 109.5 . . ?
C55 C57_a H57C_a 109.5 . . ?
H57A_a C57_a H57B_a 109.5 . . ?
H57A_a C57_a H57C_a 109.5 . . ?
H57B_a C57_a H57C_a 109.5 . . ?
C55 C58_a H58A_a 109.5 . . ?
C55 C58_a H58B_a 109.5 . . ?
C55 C58_a H58C_a 109.5 . . ?
H58A_a C58_a H58B_a 109.5 . . ?
H58A_a C58_a H58C_a 109.5 . . ?
H58B_a C58_a H58C_a 109.5 . . ?
O16 C59 H59A 109.5 . . ?
O16 C59 H59B 109.5 . . ?
O16 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
O15 C60 H60A 109.5 . . ?
O15 C60 H60B 109.5 . . ?
O15 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
O23 Dy3 Co4 99.66(14) . . ?
O23 Dy3 O32 105.5(2) . . ?
O23 Dy3 O39 116.8(2) . . ?
O23 Dy3 N7 94.6(2) . . ?
O23 Dy3 C114 86.1(2) . . ?
O24 Dy3 Co4 37.11(14) . . ?
O24 Dy3 O23 65.1(2) . . ?
O24 Dy3 O31 89.9(2) . . ?
O24 Dy3 O32 74.9(2) . . ?
O24 Dy3 O39 136.94(19) . . ?
O24 Dy3 O40 133.0(2) . . ?
O24 Dy3 N7 140.8(2) . . ?
O24 Dy3 C114 81.3(2) . . ?
O28 Dy3 Co4 124.32(16) . . ?
O28 Dy3 O23 133.1(2) . . ?
O28 Dy3 O24 147.3(2) . . ?
O28 Dy3 O31 77.9(2) . . ?
O28 Dy3 O32 73.8(2) . . ?
O28 Dy3 O39 65.9(2) . . ?
O28 Dy3 O40 78.4(2) . . ?
O28 Dy3 N7 71.0(2) . . ?
O28 Dy3 C114 74.6(2) . . ?
O31 Dy3 Co4 116.41(17) . . ?
O31 Dy3 O23 67.7(2) . . ?
O31 Dy3 O32 51.9(2) . . ?
O31 Dy3 O39 132.1(2) . . ?
O31 Dy3 N7 114.0(2) . . ?
O31 Dy3 C114 25.8(3) . . ?
O32 Dy3 Co4 76.46(14) . . ?
O32 Dy3 O39 134.7(2) . . ?
O32 Dy3 N7 144.4(2) . . ?
O32 Dy3 C114 26.0(2) . . ?
O34 Dy3 Co4 67.15(16) . . ?
O34 Dy3 O23 76.4(2) . . ?
O34 Dy3 O24 73.0(2) . . ?
O34 Dy3 O28 132.0(2) . . ?
O34 Dy3 O31 144.0(2) . . ?
O34 Dy3 O32 143.2(2) . . ?
O34 Dy3 O38 85.1(2) . . ?
O34 Dy3 O39 66.6(2) . . ?
O34 Dy3 O40 77.8(2) . . ?
O34 Dy3 N7 69.6(2) . . ?
O34 Dy3 C114 153.2(2) . . ?
O38 Dy3 Co4 39.13(14) . . ?
O38 Dy3 O23 138.7(2) . . ?
O38 Dy3 O24 74.3(2) . . ?
O38 Dy3 O28 86.1(2) . . ?
O38 Dy3 O31 121.1(2) . . ?
O38 Dy3 O32 69.3(2) . . ?
O38 Dy3 O39 87.7(2) . . ?
O38 Dy3 O40 138.7(2) . . ?
O38 Dy3 N7 113.2(2) . . ?
O38 Dy3 C114 95.3(3) . . ?
O39 Dy3 Co4 109.76(14) . . ?
O39 Dy3 N7 25.6(2) . . ?
O39 Dy3 C114 140.2(2) . . ?
O40 Dy3 Co4 144.93(16) . . ?
O40 Dy3 O23 72.8(2) . . ?
O40 Dy3 O31 92.9(2) . . ?
O40 Dy3 O32 138.6(2) . . ?
O40 Dy3 O39 51.0(2) . . ?
O40 Dy3 N7 25.5(2) . . ?
O40 Dy3 C114 116.5(3) . . ?
N7 Dy3 Co4 129.37(16) . . ?
C114 Dy3 Co4 96.6(2) . . ?
C114 Dy3 N7 132.9(3) . . ?
O25 Dy4 Co3 124.52(15) . . ?
O25 Dy4 O26 132.4(2) . . ?
O25 Dy4 O27 148.6(2) . . ?
O25 Dy4 O30 131.5(2) . . ?
O25 Dy4 O35 75.6(2) . . ?
O25 Dy4 O36 73.6(2) . . ?
O25 Dy4 O37 85.9(2) . . ?
O25 Dy4 O42 80.1(2) . . ?
O25 Dy4 O43 66.2(2) . . ?
O25 Dy4 N8 71.9(2) . . ?
O25 Dy4 C104 73.2(2) . . ?
O26 Dy4 Co3 100.35(15) . . ?
O26 Dy4 O36 105.7(2) . . ?
O26 Dy4 O43 116.5(2) . . ?
O26 Dy4 N8 94.0(2) . . ?
O26 Dy4 C104 86.9(2) . . ?
O27 Dy4 Co3 37.55(14) . . ?
O27 Dy4 O26 65.0(2) . . ?
O27 Dy4 O35 92.7(2) . . ?
O27 Dy4 O36 76.3(2) . . ?
O27 Dy4 O42 130.1(2) . . ?
O27 Dy4 O43 135.9(2) . . ?
O27 Dy4 N8 138.5(2) . . ?
O27 Dy4 C104 83.6(2) . . ?
O30 Dy4 Co3 66.75(17) . . ?
O30 Dy4 O26 77.4(2) . . ?
O30 Dy4 O27 72.3(2) . . ?
O30 Dy4 O35 146.4(2) . . ?
O30 Dy4 O36 143.5(2) . . ?
O30 Dy4 O42 76.4(2) . . ?
O30 Dy4 O43 65.9(2) . . ?
O30 Dy4 N8 68.2(2) . . ?
O30 Dy4 C104 155.1(2) . . ?
O35 Dy4 Co3 118.40(15) . . ?
O35 Dy4 O26 69.0(2) . . ?
O35 Dy4 O36 51.86(19) . . ?
O35 Dy4 O43 130.3(2) . . ?
O35 Dy4 N8 113.6(2) . . ?
O35 Dy4 C104 25.8(2) . . ?
O36 Dy4 Co3 77.01(13) . . ?
O36 Dy4 O43 134.62(19) . . ?
O36 Dy4 N8 145.2(2) . . ?
O36 Dy4 C104 26.0(2) . . ?
O37 Dy4 Co3 39.43(15) . . ?
O37 Dy4 O26 139.7(2) . . ?
O37 Dy4 O27 75.2(2) . . ?
O37 Dy4 O30 85.1(2) . . ?
O37 Dy4 O35 120.8(2) . . ?
O37 Dy4 O36 69.04(19) . . ?
O37 Dy4 O42 139.3(2) . . ?
O37 Dy4 O43 87.6(2) . . ?
O37 Dy4 N8 112.7(2) . . ?
O37 Dy4 C104 95.0(2) . . ?
O42 Dy4 Co3 143.16(15) . . ?
O42 Dy4 O26 70.9(2) . . ?
O42 Dy4 O35 92.5(2) . . ?
O42 Dy4 O36 139.7(2) . . ?
O42 Dy4 O43 51.7(2) . . ?
O42 Dy4 N8 26.5(2) . . ?
O42 Dy4 C104 116.7(2) . . ?
O43 Dy4 Co3 109.24(14) . . ?
O43 Dy4 N8 25.2(2) . . ?
O43 Dy4 C104 139.0(2) . . ?
N8 Dy4 Co3 127.88(16) . . ?
C104 Dy4 Co3 97.85(18) . . ?
C104 Dy4 N8 133.0(2) . . ?
O27 Co3 Dy4 43.56(16) . . ?
O27 Co3 O32 173.1(2) . . ?
O27 Co3 O37 83.6(2) . . ?
O27 Co3 O38 93.5(2) . . ?
O27 Co3 N6 89.7(3) . . ?
O29 Co3 Dy4 83.07(18) . . ?
O29 Co3 O27 90.5(2) . . ?
O29 Co3 O32 94.5(3) . . ?
O29 Co3 O37 94.7(2) . . ?
O29 Co3 O38 173.3(2) . . ?
O29 Co3 N6 86.4(3) . . ?
O32 Co3 Dy4 132.46(18) . . ?
O32 Co3 O37 91.3(2) . . ?
O32 Co3 O38 81.1(2) . . ?
O32 Co3 N6 95.3(3) . . ?
O37 Co3 Dy4 42.13(16) . . ?
O38 Co3 Dy4 96.13(16) . . ?
O38 Co3 O37 80.4(2) . . ?
O38 Co3 N6 99.0(3) . . ?
N6 Co3 Dy4 131.6(2) . . ?
N6 Co3 O37 173.2(3) . . ?
O24 Co4 Dy3 43.16(17) . . ?
O24 Co4 O33 88.0(2) . . ?
O24 Co4 O36 172.3(2) . . ?
O24 Co4 O37 93.0(2) . . ?
O24 Co4 O38 83.1(2) . . ?
O24 Co4 N3 89.2(2) . . ?
O33 Co4 Dy3 82.43(17) . . ?
O33 Co4 O36 97.7(2) . . ?
O33 Co4 O37 176.8(2) . . ?
O33 Co4 O38 96.5(2) . . ?
O33 Co4 N3 86.5(3) . . ?
O36 Co4 Dy3 132.30(17) . . ?
O36 Co4 O38 91.1(2) . . ?
O36 Co4 N3 96.2(2) . . ?
O37 Co4 Dy3 96.21(16) . . ?
O37 Co4 O36 81.1(2) . . ?
O37 Co4 O38 80.7(2) . . ?
O37 Co4 N3 96.5(2) . . ?
O38 Co4 Dy3 42.11(15) . . ?
N3 Co4 Dy3 131.18(19) . . ?
N3 Co4 O38 171.6(2) . . ?
C80 O23 Dy3 125.5(5) . . ?
C81 O23 Dy3 117.6(5) . . ?
C81 O23 C80 116.7(7) . . ?
Co4 O24 Dy3 99.7(2) . . ?
C86 O24 Dy3 121.9(5) . . ?
C86 O24 Co4 124.0(5) . . ?
C98 O25 Dy4 142.5(5) . . ?
C61 O26 Dy4 125.6(5) . . ?
C62 O26 Dy4 117.4(5) . . ?
C62 O26 C61 116.9(7) . . ?
Co3 O27 Dy4 98.9(2) . . ?
C67 O27 Dy4 118.9(5) . . ?
C67 O27 Co3 123.4(5) . . ?
C79 O28 Dy3 148.0(6) . . ?
C109 O29 Co3 125.6(6) . . ?
C109 O30 Dy4 137.3(6) . . ?
C114 O31 Dy3 96.4(5) . . ?
Co3 O32 Dy3 100.6(2) . . ?
C114 O32 Dy3 92.5(6) . . ?
C114 O32 Co3 164.4(6) . . ?
C99 O33 Co4 125.3(5) . . ?
C99 O34 Dy3 138.5(6) . . ?
C104 O35 Dy4 96.4(5) . . ?
Co4 O36 Dy4 99.9(2) . . ?
C104 O36 Dy4 91.9(5) . . ?
C104 O36 Co4 164.1(6) . . ?
Co3 O37 Dy4 98.4(2) . . ?
Co4 O37 Dy4 108.8(2) . . ?
Co4 O37 Co3 99.5(2) . . ?
C119 O37 Dy4 116.4(5) . . ?
C119 O37 Co3 117.7(5) . . ?
C119 O37 Co4 113.8(5) . . ?
Co3 O38 Dy3 107.7(2) . . ?
Co3 O38 Co4 99.4(2) . . ?
Co4 O38 Dy3 98.8(2) . . ?
C120 O38 Dy3 117.2(5) . . ?
C120 O38 Co3 114.5(5) . . ?
C120 O38 Co4 116.8(5) . . ?
N7 O39 Dy3 92.8(5) . . ?
N7 O40 Dy3 100.5(5) . . ?
N8 O42 Dy4 98.6(5) . . ?
N8 O43 Dy4 93.0(5) . . ?
N2 N1 C92 121.8(7) . . ?
C98 N1 N2 108.5(7) . . ?
C98 N1 C92 126.1(7) . . ?
N1 N2 C91 118.1(7) . . ?
C89 N2 N1 106.8(6) . . ?
C89 N2 C91 123.1(8) . . ?
C87 N3 Co4 123.0(6) . . ?
C87 N3 C88 113.6(7) . . ?
C88 N3 Co4 123.0(5) . . ?
N5 N4 C73 120.6(8) . . ?
C79 N4 N5 108.3(8) . . ?
C79 N4 C73 127.9(8) . . ?
N4 N5 C72 117.8(9) . . ?
C70 N5 N4 106.9(7) . . ?
C70 N5 C72 122.3(9) . . ?
C68 N6 Co3 120.0(6) . . ?
C68 N6 C69 113.6(7) . . ?
C69 N6 Co3 125.7(6) . . ?
O39 N7 Dy3 61.6(5) . . ?
O39 N7 O40 115.5(8) . . ?
O40 N7 Dy3 54.0(5) . . ?
O41 N7 Dy3 175.5(7) . . ?
O41 N7 O39 121.7(9) . . ?
O41 N7 O40 122.7(8) . . ?
O42 N8 Dy4 54.9(4) . . ?
O43 N8 Dy4 61.7(4) . . ?
O43 N8 O42 116.5(7) . . ?
O44 N8 Dy4 173.3(6) . . ?
O44 N8 O42 121.0(7) . . ?
O44 N8 O43 122.4(8) . . ?
O26 C61 H61A 109.5 . . ?
O26 C61 H61B 109.5 . . ?
O26 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
O26 C62 C67 112.2(7) . . ?
C63 C62 O26 125.0(9) . . ?
C63 C62 C67 122.7(9) . . ?
C62 C63 H63 120.0 . . ?
C62 C63 C64 120.1(10) . . ?
C64 C63 H63 120.0 . . ?
C63 C64 H64 120.3 . . ?
C65 C64 C63 119.4(9) . . ?
C65 C64 H64 120.3 . . ?
C64 C65 H65 119.5 . . ?
C64 C65 C66 121.0(9) . . ?
C66 C65 H65 119.5 . . ?
C65 C66 C68 115.0(8) . . ?
C67 C66 C65 119.3(9) . . ?
C67 C66 C68 125.6(8) . . ?
O27 C67 C62 119.5(8) . . ?
O27 C67 C66 123.2(9) . . ?
C62 C67 C66 117.3(8) . . ?
N6 C68 C66 129.0(8) . . ?
N6 C68 H68 115.5 . . ?
C66 C68 H68 115.5 . . ?
N6 C69 C79 123.8(7) . . ?
C70 C69 N6 129.4(9) . . ?
C70 C69 C79 106.7(8) . . ?
N5 C70 C71 120.6(8) . . ?
C69 C70 N5 109.8(8) . . ?
C69 C70 C71 129.4(10) . . ?
C70 C71 H71A 109.5 . . ?
C70 C71 H71B 109.5 . . ?
C70 C71 H71C 109.5 . . ?
H71A C71 H71B 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
N5 C72 H72A 109.5 . . ?
N5 C72 H72B 109.5 . . ?
N5 C72 H72C 109.5 . . ?
H72A C72 H72B 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C74 C73 N4 122.0(9) . . ?
C74 C73 C78 119.8(10) . . ?
C78 C73 N4 118.2(9) . . ?
C73 C74 H74 120.6 . . ?
C73 C74 C75 118.8(12) . . ?
C75 C74 H74 120.6 . . ?
C74 C75 H75 119.4 . . ?
C76 C75 C74 121.3(12) . . ?
C76 C75 H75 119.4 . . ?
C75 C76 H76 119.4 . . ?
C75 C76 C77 121.3(12) . . ?
C77 C76 H76 119.4 . . ?
C76 C77 H77 121.2 . . ?
C76 C77 C78 117.6(12) . . ?
C78 C77 H77 121.2 . . ?
C73 C78 C77 121.2(11) . . ?
C73 C78 H78 119.4 . . ?
C77 C78 H78 119.4 . . ?
O28 C79 N4 121.6(8) . . ?
O28 C79 C69 130.6(8) . . ?
N4 C79 C69 107.8(8) . . ?
O23 C80 H80A 109.5 . . ?
O23 C80 H80B 109.5 . . ?
O23 C80 H80C 109.5 . . ?
H80A C80 H80B 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
O23 C81 C86 113.2(7) . . ?
C82 C81 O23 124.2(8) . . ?
C82 C81 C86 122.5(8) . . ?
C81 C82 H82 120.6 . . ?
C81 C82 C83 118.9(9) . . ?
C83 C82 H82 120.6 . . ?
C82 C83 H83 119.4 . . ?
C84 C83 C82 121.3(8) . . ?
C84 C83 H83 119.4 . . ?
C83 C84 H84 119.7 . . ?
C83 C84 C85 120.6(8) . . ?
C85 C84 H84 119.7 . . ?
C84 C85 C87 114.7(8) . . ?
C86 C85 C84 119.7(8) . . ?
C86 C85 C87 125.4(8) . . ?
O24 C86 C81 118.8(8) . . ?
O24 C86 C85 124.3(8) . . ?
C85 C86 C81 116.9(8) . . ?
N3 C87 C85 126.9(8) . . ?
N3 C87 H87 116.6 . . ?
C85 C87 H87 116.6 . . ?
C89 C88 N3 128.6(8) . . ?
C89 C88 C98 107.8(7) . . ?
C98 C88 N3 123.6(7) . . ?
N2 C89 C90 120.1(7) . . ?
C88 C89 N2 109.7(8) . . ?
C88 C89 C90 130.1(8) . . ?
C89 C90 H90A 109.5 . . ?
C89 C90 H90B 109.5 . . ?
C89 C90 H90C 109.5 . . ?
H90A C90 H90B 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
N2 C91 H91A 109.5 . . ?
N2 C91 H91B 109.5 . . ?
N2 C91 H91C 109.5 . . ?
H91A C91 H91B 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
C93 C92 N1 120.7(9) . . ?
C93 C92 C97 121.0(9) . . ?
C97 C92 N1 118.2(8) . . ?
C92 C93 H93 120.6 . . ?
C92 C93 C94 118.8(11) . . ?
C94 C93 H93 120.6 . . ?
C93 C94 H94 120.2 . . ?
C95 C94 C93 119.6(11) . . ?
C95 C94 H94 120.2 . . ?
C94 C95 H95 118.5 . . ?
C94 C95 C96 123.0(11) . . ?
C96 C95 H95 118.5 . . ?
C95 C96 H96 120.9 . . ?
C95 C96 C97 118.1(11) . . ?
C97 C96 H96 120.9 . . ?
C92 C97 H97 120.3 . . ?
C96 C97 C92 119.5(10) . . ?
C96 C97 H97 120.3 . . ?
O25 C98 N1 120.9(7) . . ?
O25 C98 C88 132.0(7) . . ?
N1 C98 C88 106.8(7) . . ?
O33 C99 O34 124.4(9) . . ?
O33 C99 C100 117.6(7) . . ?
O34 C99 C100 118.0(8) . . ?
C99 C100 C101 107.2(7) . . ?
C99 C100 C102 108.9(8) . . ?
C99 C100 C103 110.8(7) . . ?
C102 C100 C101 109.4(8) . . ?
C102 C100 C103 110.6(8) . . ?
C103 C100 C101 109.9(9) . . ?
C100 C101 H10A 109.5 . . ?
C100 C101 H10B 109.5 . . ?
C100 C101 H10C 109.5 . . ?
H10A C101 H10B 109.5 . . ?
H10A C101 H10C 109.5 . . ?
H10B C101 H10C 109.5 . . ?
C100 C102 H10D 109.5 . . ?
C100 C102 H10E 109.5 . . ?
C100 C102 H10F 109.5 . . ?
H10D C102 H10E 109.5 . . ?
H10D C102 H10F 109.5 . . ?
H10E C102 H10F 109.5 . . ?
C100 C103 H10G 109.5 . . ?
C100 C103 H10H 109.5 . . ?
C100 C103 H10I 109.5 . . ?
H10G C103 H10H 109.5 . . ?
H10G C103 H10I 109.5 . . ?
H10H C103 H10I 109.5 . . ?
O35 C104 Dy4 57.8(4) . . ?
O35 C104 O36 119.8(7) . . ?
O35 C104 C105_a 119.2(9) . . ?
O35 C104 C151_b 117.5(12) . . ?
O36 C104 Dy4 62.1(4) . . ?
O36 C104 C105_a 120.9(10) . . ?
O36 C104 C151_b 122.6(12) . . ?
C105_a C104 Dy4 176.9(8) . . ?
C151_b C104 Dy4 175.3(11) . . ?
C106_a C105_a C104 102.9(17) . . ?
C107_a C105_a C104 105.3(17) . . ?
C107_a C105_a C106_a 73.7(15) . . ?
C107_a C105_a C108_a 104.9(17) . . ?
C108_a C105_a C104 105.1(16) . . ?
C108_a C105_a C106_a 151(3) . . ?
C105_a C106_a H10J_a 109.5 . . ?
C105_a C106_a H10K_a 109.5 . . ?
C105_a C106_a H10L_a 109.5 . . ?
H10J_a C106_a H10K_a 109.5 . . ?
H10J_a C106_a H10L_a 109.5 . . ?
H10K_a C106_a H10L_a 109.5 . . ?
C105_a C107_a H10M_a 109.5 . . ?
C105_a C107_a H10N_a 109.5 . . ?
C105_a C107_a H10O_a 109.5 . . ?
H10M_a C107_a H10N_a 109.5 . . ?
H10M_a C107_a H10O_a 109.5 . . ?
H10N_a C107_a H10O_a 109.5 . . ?
C105_a C108_a H10P_a 109.5 . . ?
C105_a C108_a H10Q_a 109.5 . . ?
C105_a C108_a H10R_a 109.5 . . ?
H10P_a C108_a H10Q_a 109.5 . . ?
H10P_a C108_a H10R_a 109.5 . . ?
H10Q_a C108_a H10R_a 109.5 . . ?
O29 C109 O30 125.5(9) . . ?
O29 C109 C110 118.1(18) . . ?
O30 C109 C110 116.4(18) . . ?
C111_a C110 C109 113(3) . . ?
C111_a C110 C113_a 108(3) . . ?
C112_a C110 C109 109(2) . . ?
C112_a C110 C111_a 105(3) . . ?
C112_a C110 C113_a 113(3) . . ?
C113_a C110 C109 110(3) . . ?
C110 C111_a H11D_a 109.5 . . ?
C110 C111_a H11E_a 109.5 . . ?
C110 C111_a H11F_a 109.5 . . ?
H11D_a C111_a H11E_a 109.5 . . ?
H11D_a C111_a H11F_a 109.5 . . ?
H11E_a C111_a H11F_a 109.5 . . ?
C110 C112_a H11G_a 109.5 . . ?
C110 C112_a H11H_a 109.5 . . ?
C110 C112_a H11I_a 109.5 . . ?
H11G_a C112_a H11H_a 109.5 . . ?
H11G_a C112_a H11I_a 109.5 . . ?
H11H_a C112_a H11I_a 109.5 . . ?
C110 C113_a H11J_a 109.5 . . ?
C110 C113_a H11K_a 109.5 . . ?
C110 C113_a H11L_a 109.5 . . ?
H11J_a C113_a H11K_a 109.5 . . ?
H11J_a C113_a H11L_a 109.5 . . ?
H11K_a C113_a H11L_a 109.5 . . ?
O31 C114 Dy3 57.8(5) . . ?
O31 C114 O32 119.3(9) . . ?
O31 C114 C115 119.1(8) . . ?
O32 C114 Dy3 61.5(5) . . ?
O32 C114 C115 121.5(9) . . ?
C115 C114 Dy3 176.8(7) . . ?
C114 C115 C118 110.5(9) . . ?
C116 C115 C114 109.0(8) . . ?
C116 C115 C118 109.2(9) . . ?
C117 C115 C114 107.9(8) . . ?
C117 C115 C116 109.3(9) . . ?
C117 C115 C118 110.9(8) . . ?
C115 C116 H11M 109.5 . . ?
C115 C116 H11N 109.5 . . ?
C115 C116 H11O 109.5 . . ?
H11M C116 H11N 109.5 . . ?
H11M C116 H11O 109.5 . . ?
H11N C116 H11O 109.5 . . ?
C115 C117 H11P 109.5 . . ?
C115 C117 H11Q 109.5 . . ?
C115 C117 H11R 109.5 . . ?
H11P C117 H11Q 109.5 . . ?
H11P C117 H11R 109.5 . . ?
H11Q C117 H11R 109.5 . . ?
C115 C118 H11S 109.5 . . ?
C115 C118 H11T 109.5 . . ?
C115 C118 H11U 109.5 . . ?
H11S C118 H11T 109.5 . . ?
H11S C118 H11U 109.5 . . ?
H11T C118 H11U 109.5 . . ?
O37 C119 H11V 109.5 . . ?
O37 C119 H11W 109.5 . . ?
O37 C119 H11X 109.5 . . ?
H11V C119 H11W 109.5 . . ?
H11V C119 H11X 109.5 . . ?
H11W C119 H11X 109.5 . . ?
O38 C120 H12D 109.5 . . ?
O38 C120 H12E 109.5 . . ?
O38 C120 H12F 109.5 . . ?
H12D C120 H12E 109.5 . . ?
H12D C120 H12F 109.5 . . ?
H12E C120 H12F 109.5 . . ?
C126 O125 H125 109.5 . . ?
O125 C126 H12G 109.5 . . ?
O125 C126 H12H 109.5 . . ?
O125 C126 H12I 109.5 . . ?
H12G C126 H12H 109.5 . . ?
H12G C126 H12I 109.5 . . ?
H12H C126 H12I 109.5 . . ?
C124 O123 H123 109.5 . . ?
O123 C124 H12J 109.5 . . ?
O123 C124 H12K 109.5 . . ?
O123 C124 H12L 109.5 . . ?
H12J C124 H12K 109.5 . . ?
H12J C124 H12L 109.5 . . ?
H12K C124 H12L 109.5 . . ?
C128 O127 H127 109.5 . . ?
O127 C128 H12M 109.5 . . ?
O127 C128 H12N 109.5 . . ?
O127 C128 H12O 109.5 . . ?
H12M C128 H12N 109.5 . . ?
H12M C128 H12O 109.5 . . ?
H12N C128 H12O 109.5 . . ?
H14A_a C144_a H14B_a 109.5 . . ?
H14A_a C144_a H14C_a 109.5 . . ?
H14B_a C144_a H14C_a 109.5 . . ?
C141_a C144_a H14A_a 109.5 . . ?
C141_a C144_a H14B_a 109.5 . . ?
C141_a C144_a H14C_a 109.5 . . ?
H14E_a C143_a H14F_a 109.5 . . ?
H14E_a C143_a H14D_a 109.5 . . ?
H14F_a C143_a H14D_a 109.5 . . ?
C141_a C143_a H14E_a 109.5 . . ?
C141_a C143_a H14F_a 109.5 . . ?
C141_a C143_a H14D_a 109.5 . . ?
H14G_a C142_a H14H_a 109.5 . . ?
H14G_a C142_a H14I_a 109.5 . . ?
H14H_a C142_a H14I_a 109.5 . . ?
C141_a C142_a H14G_a 109.5 . . ?
C141_a C142_a H14H_a 109.5 . . ?
C141_a C142_a H14I_a 109.5 . . ?
C144_a C141_a C44 113(2) . . ?
C144_a C141_a C143_a 58.0(18) . . ?
C144_a C141_a C142_a 124(3) . . ?
C143_a C141_a C44 118(2) . . ?
C142_a C141_a C44 114(2) . . ?
C142_a C141_a C143_a 119(3) . . ?
H15A_b C153_b H15B_b 109.5 . . ?
H15A_b C153_b H15C_b 109.5 . . ?
H15B_b C153_b H15C_b 109.5 . . ?
C151_b C153_b H15A_b 109.5 . . ?
C151_b C153_b H15B_b 109.5 . . ?
C151_b C153_b H15C_b 109.5 . . ?
C104 C151_b C153_b 108(2) . . ?
C104 C151_b C154_b 116(2) . . ?
C104 C151_b C152_b 117(2) . . ?
C154_b C151_b C153_b 118(3) . . ?
C152_b C151_b C153_b 48.9(15) . . ?
C152_b C151_b C154_b 126(3) . . ?
C151_b C154_b H15D_b 109.5 . . ?
C151_b C154_b H15E_b 109.5 . . ?
C151_b C154_b H15F_b 109.5 . . ?
H15D_b C154_b H15E_b 109.5 . . ?
H15D_b C154_b H15F_b 109.5 . . ?
H15E_b C154_b H15F_b 109.5 . . ?
C151_b C152_b H15G_b 109.5 . . ?
C151_b C152_b H15H_b 109.5 . . ?
C151_b C152_b H15I_b 109.5 . . ?
H15G_b C152_b H15H_b 109.5 . . ?
H15G_b C152_b H15I_b 109.5 . . ?
H15H_b C152_b H15I_b 109.5 . . ?
C2AA O0AA H0AB 109.5 . . ?
O0AA C2AA H2AA 109.5 . . ?
O0AA C2AA H2AB 109.5 . . ?
O0AA C2AA H2AC 109.5 . . ?
H2AA C2AA H2AB 109.5 . . ?
H2AA C2AA H2AC 109.5 . . ?
H2AB C2AA H2AC 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O1 C2 C3 -162.3(6) . . . . ?
Dy1 O1 C2 C1AA 17.0(8) . . . . ?
Dy1 O2 C1AA C2 -22.2(9) . . . . ?
Dy1 O2 C1AA C6 157.7(6) . . . . ?
Dy1 O6 C38 N9 -120.2(9) . . . . ?
Dy1 O6 C38 C28 64.0(14) . . . . ?
Dy1 O8 C49 O7 -6.1(14) . . . . ?
Dy1 O8 C49 C50 172.1(6) . . . . ?
Dy1 O13 C44 O14 2.5(9) . . . . ?
Dy1 O13 C44 C45_b 176.2(11) . . . . ?
Dy1 O13 C44 C141_a -168.1(14) . . . . ?
Dy1 O14 C44 O13 -2.4(9) . . . . ?
Dy1 O14 C44 C45_b -176.0(12) . . . . ?
Dy1 O14 C44 C141_a 168.1(15) . . . . ?
Dy1 O20 N16 O21 5.6(7) . . . . ?
Dy1 O20 N16 O22 -173.9(7) . . . . ?
Dy1 O21 N16 O20 -6.0(7) . . . . ?
Dy1 O21 N16 O22 173.5(7) . . . . ?
Dy1 C44 C141_a C144_a -20(7) . . . . ?
Dy1 C44 C141_a C143_a -85(6) . . . . ?
Dy1 C44 C141_a C142_a 128(5) . . . . ?
Dy2 O3 C19 N12 117.4(8) . . . . ?
Dy2 O3 C19 C9 -69.5(13) . . . . ?
Dy2 O4 C21 C22 159.7(7) . . . . ?
Dy2 O4 C21 C26 -18.4(9) . . . . ?
Dy2 O5 C26 C21 21.9(9) . . . . ?
Dy2 O5 C26 C25 -158.2(6) . . . . ?
Dy2 O9 C54 O10 -1.2(8) . . . . ?
Dy2 O9 C54 C55 176.8(14) . . . . ?
Dy2 O10 C54 O9 1.1(8) . . . . ?
Dy2 O10 C54 C55 -176.8(15) . . . . ?
Dy2 O12 C39 O11 5.2(14) . . . . ?
Dy2 O12 C39 C40 -174.4(6) . . . . ?
Dy2 O17 N15 O18 2.7(7) . . . . ?
Dy2 O17 N15 O19 -177.0(7) . . . . ?
Dy2 O18 N15 O17 -2.5(7) . . . . ?
Dy2 O18 N15 O19 177.1(7) . . . . ?
Co1 O2 C1AA C2 -147.6(6) . . . . ?
Co1 O2 C1AA C6 32.3(10) . . . . ?
Co1 O7 C49 O8 15.4(12) . . . . ?
Co1 O7 C49 C50 -162.7(5) . . . . ?
Co1 O10 C54 Dy2 -131(2) . . . . ?
Co1 O10 C54 O9 -130(2) . . . . ?
Co1 O10 C54 C55 52(3) . . . . ?
Co1 N14 C8 C6 1.5(11) . . . . ?
Co1 N14 C9 C10 -127.5(8) . . . . ?
Co1 N14 C9 C19 52.7(10) . . . . ?
Co2 O5 C26 C21 145.7(6) . . . . ?
Co2 O5 C26 C25 -34.5(10) . . . . ?
Co2 O11 C39 O12 -13.4(12) . . . . ?
Co2 O11 C39 C40 166.2(6) . . . . ?
Co2 O14 C44 Dy1 134(2) . . . . ?
Co2 O14 C44 O13 132.0(18) . . . . ?
Co2 O14 C44 C45_b -42(3) . . . . ?
Co2 O14 C44 C141_a -57(3) . . . . ?
Co2 N11 C27 C25 -1.6(13) . . . . ?
Co2 N11 C28 C29 123.8(9) . . . . ?
Co2 N11 C28 C38 -53.7(11) . . . . ?
O1 C2 C3 C4 179.8(7) . . . . ?
O1 C2 C1AA O2 2.2(10) . . . . ?
O1 C2 C1AA C6 -177.7(7) . . . . ?
O4 C21 C22 C23 -179.6(8) . . . . ?
O4 C21 C26 O5 -1.2(11) . . . . ?
O4 C21 C26 C25 178.9(7) . . . . ?
O7 C49 C50 C51 64.7(10) . . . . ?
O7 C49 C50 C52 -175.3(8) . . . . ?
O7 C49 C50 C53 -54.2(10) . . . . ?
O8 C49 C50 C51 -113.6(9) . . . . ?
O8 C49 C50 C52 6.4(11) . . . . ?
O8 C49 C50 C53 127.5(8) . . . . ?
O9 C54 C55 C56_a 165.8(16) . . . . ?
O9 C54 C55 C57_a -70(2) . . . . ?
O9 C54 C55 C58_a 42(2) . . . . ?
O10 C54 C55 C56_a -16(3) . . . . ?
O10 C54 C55 C57_a 108.3(17) . . . . ?
O10 C54 C55 C58_a -140.2(14) . . . . ?
O11 C39 C40 C41 174.2(10) . . . . ?
O11 C39 C40 C42 -68.8(10) . . . . ?
O11 C39 C40 C43 48.7(12) . . . . ?
O12 C39 C40 C41 -6.1(13) . . . . ?
O12 C39 C40 C42 110.9(9) . . . . ?
O12 C39 C40 C43 -131.6(10) . . . . ?
O13 C44 C45_b C46_b 138.2(12) . . . . ?
O13 C44 C45_b C47_b -116.7(15) . . . . ?
O13 C44 C45_b C48_b -39(2) . . . . ?
O13 C44 C141_a C144_a 50(2) . . . . ?
O13 C44 C141_a C143_a -15(3) . . . . ?
O13 C44 C141_a C142_a -161.8(19) . . . . ?
O14 C44 C45_b C46_b -48.1(17) . . . . ?
O14 C44 C45_b C47_b 57.0(19) . . . . ?
O14 C44 C45_b C48_b 135.2(14) . . . . ?
O14 C44 C141_a C144_a -120.4(18) . . . . ?
O14 C44 C141_a C143_a 175(2) . . . . ?
O14 C44 C141_a C142_a 28(3) . . . . ?
N9 N10 C29 C28 6.4(11) . . . . ?
N9 N10 C29 C30 -170.0(9) . . . . ?
N9 C32 C33 C34 179.2(9) . . . . ?
N9 C32 C37 C36 -177.2(9) . . . . ?
N10 N9 C32 C33 38.0(13) . . . . ?
N10 N9 C32 C37 -145.2(9) . . . . ?
N10 N9 C38 O6 -173.8(8) . . . . ?
N10 N9 C38 C28 3.0(10) . . . . ?
N11 C28 C29 N10 177.6(9) . . . . ?
N11 C28 C29 C30 -6.4(18) . . . . ?
N11 C28 C38 O6 -4.9(16) . . . . ?
N11 C28 C38 N9 178.8(8) . . . . ?
N12 N13 C10 C9 -6.4(9) . . . . ?
N12 N13 C10 C11 172.0(8) . . . . ?
N12 C13 C14 C0AA 178.5(8) . . . . ?
N12 C13 C18 C17 178.3(8) . . . . ?
N13 N12 C13 C14 -32.0(12) . . . . ?
N13 N12 C13 C18 148.9(8) . . . . ?
N13 N12 C19 O3 169.6(7) . . . . ?
N13 N12 C19 C9 -5.1(9) . . . . ?
N14 C9 C10 N13 -176.6(8) . . . . ?
N14 C9 C10 C11 5.2(16) . . . . ?
N14 C9 C19 O3 7.2(14) . . . . ?
N14 C9 C19 N12 -178.9(7) . . . . ?
C1 O1 C2 C3 13.6(11) . . . . ?
C1 O1 C2 C1AA -167.1(7) . . . . ?
C2 C3 C4 C5 -0.8(12) . . . . ?
C3 C2 C1AA O2 -178.5(7) . . . . ?
C3 C2 C1AA C6 1.6(12) . . . . ?
C3 C4 C5 C6 -1.2(12) . . . . ?
C4 C5 C6 C1AA 3.5(12) . . . . ?
C4 C5 C6 C8 -172.5(8) . . . . ?
C5 C6 C1AA O2 176.5(7) . . . . ?
C5 C6 C1AA C2 -3.6(11) . . . . ?
C5 C6 C8 N14 164.5(8) . . . . ?
C1AA C2 C3 C4 0.6(12) . . . . ?
C1AA C6 C8 N14 -11.2(13) . . . . ?
C8 N14 C9 C10 40.7(12) . . . . ?
C8 N14 C9 C19 -139.1(8) . . . . ?
C8 C6 C1AA O2 -7.9(12) . . . . ?
C8 C6 C1AA C2 172.0(7) . . . . ?
C9 N14 C8 C6 -167.1(8) . . . . ?
C10 C9 C19 O3 -172.7(9) . . . . ?
C10 C9 C19 N12 1.2(9) . . . . ?
C12 N13 C10 C9 -145.6(9) . . . . ?
C12 N13 C10 C11 32.7(13) . . . . ?
C13 N12 N13 C10 167.5(8) . . . . ?
C13 N12 N13 C12 -50.5(11) . . . . ?
C13 N12 C19 O3 10.2(13) . . . . ?
C13 N12 C19 C9 -164.5(8) . . . . ?
C13 C14 C0AA C16 3.9(14) . . . . ?
C14 C13 C18 C17 -0.8(14) . . . . ?
C14 C0AA C16 C17 -2.0(15) . . . . ?
C0AA C16 C17 C18 -1.3(16) . . . . ?
C16 C17 C18 C13 2.7(15) . . . . ?
C18 C13 C14 C0AA -2.5(14) . . . . ?
C19 N12 N13 C10 7.1(9) . . . . ?
C19 N12 N13 C12 149.1(8) . . . . ?
C19 N12 C13 C14 124.7(9) . . . . ?
C19 N12 C13 C18 -54.4(12) . . . . ?
C19 C9 C10 N13 3.2(10) . . . . ?
C19 C9 C10 C11 -175.0(9) . . . . ?
C20 O4 C21 C22 -16.3(12) . . . . ?
C20 O4 C21 C26 165.6(7) . . . . ?
C21 C22 C23 C24 0.2(14) . . . . ?
C22 C21 C26 O5 -179.3(8) . . . . ?
C22 C21 C26 C25 0.8(12) . . . . ?
C22 C23 C24 C25 2.3(15) . . . . ?
C23 C24 C25 C26 -3.2(14) . . . . ?
C23 C24 C25 C27 171.5(9) . . . . ?
C24 C25 C26 O5 -178.3(8) . . . . ?
C24 C25 C26 C21 1.6(12) . . . . ?
C24 C25 C27 N11 -161.9(9) . . . . ?
C26 C21 C22 C23 -1.7(13) . . . . ?
C26 C25 C27 N11 12.5(15) . . . . ?
C27 N11 C28 C29 -43.7(13) . . . . ?
C27 N11 C28 C38 138.8(9) . . . . ?
C27 C25 C26 O5 7.6(14) . . . . ?
C27 C25 C26 C21 -172.5(8) . . . . ?
C28 N11 C27 C25 166.3(9) . . . . ?
C29 C28 C38 O6 177.2(10) . . . . ?
C29 C28 C38 N9 0.9(10) . . . . ?
C31 N10 C29 C28 152.7(10) . . . . ?
C31 N10 C29 C30 -23.6(16) . . . . ?
C32 N9 N10 C29 -168.0(8) . . . . ?
C32 N9 N10 C31 43.6(13) . . . . ?
C32 N9 C38 O6 -12.5(14) . . . . ?
C32 N9 C38 C28 164.3(9) . . . . ?
C32 C33 C34 C35 -2.6(16) . . . . ?
C33 C32 C37 C36 -0.4(14) . . . . ?
C33 C34 C35 C36 0.6(17) . . . . ?
C34 C35 C36 C37 1.5(18) . . . . ?
C35 C36 C37 C32 -1.6(16) . . . . ?
C37 C32 C33 C34 2.5(14) . . . . ?
C38 N9 N10 C29 -5.8(10) . . . . ?
C38 N9 N10 C31 -154.1(9) . . . . ?
C38 N9 C32 C33 -121.0(10) . . . . ?
C38 N9 C32 C37 55.9(13) . . . . ?
C38 C28 C29 N10 -4.5(12) . . . . ?
C38 C28 C29 C30 171.4(11) . . . . ?
C45_b C44 C141_a C144_a 143(7) . . . . ?
C45_b C44 C141_a C143_a 78(6) . . . . ?
C45_b C44 C141_a C142_a -69(6) . . . . ?
Dy3 O23 C81 C82 -166.9(7) . . . . ?
Dy3 O23 C81 C86 11.4(9) . . . . ?
Dy3 O24 C86 C81 -17.0(10) . . . . ?
Dy3 O24 C86 C85 162.3(6) . . . . ?
Dy3 O28 C79 N4 -125.8(10) . . . . ?
Dy3 O28 C79 C69 54.6(17) . . . . ?
Dy3 O31 C114 O32 1.5(9) . . . . ?
Dy3 O31 C114 C115 178.9(7) . . . . ?
Dy3 O32 C114 O31 -1.4(9) . . . . ?
Dy3 O32 C114 C115 -178.8(8) . . . . ?
Dy3 O34 C99 O33 -15.6(14) . . . . ?
Dy3 O34 C99 C100 163.1(6) . . . . ?
Dy3 O39 N7 O40 2.8(7) . . . . ?
Dy3 O39 N7 O41 -176.6(8) . . . . ?
Dy3 O40 N7 O39 -3.0(8) . . . . ?
Dy3 O40 N7 O41 176.4(8) . . . . ?
Dy4 O25 C98 N1 121.6(8) . . . . ?
Dy4 O25 C98 C88 -65.4(14) . . . . ?
Dy4 O26 C62 C63 160.8(8) . . . . ?
Dy4 O26 C62 C67 -18.0(9) . . . . ?
Dy4 O27 C67 C62 23.0(10) . . . . ?
Dy4 O27 C67 C66 -156.2(7) . . . . ?
Dy4 O30 C109 O29 1.6(15) . . . . ?
Dy4 O30 C109 C110 -177.9(18) . . . . ?
Dy4 O35 C104 O36 -1.7(8) . . . . ?
Dy4 O35 C104 C105_a -179.2(9) . . . . ?
Dy4 O35 C104 C151_b -179.9(12) . . . . ?
Dy4 O36 C104 O35 1.6(8) . . . . ?
Dy4 O36 C104 C105_a 179.1(9) . . . . ?
Dy4 O36 C104 C151_b 179.7(13) . . . . ?
Dy4 O42 N8 O43 3.1(8) . . . . ?
Dy4 O42 N8 O44 -173.7(7) . . . . ?
Dy4 O43 N8 O42 -2.9(7) . . . . ?
Dy4 O43 N8 O44 173.9(8) . . . . ?
Co3 O27 C67 C62 148.1(7) . . . . ?
Co3 O27 C67 C66 -31.0(11) . . . . ?
Co3 O29 C109 O30 -14.5(13) . . . . ?
Co3 O29 C109 C110 165.1(19) . . . . ?
Co3 O32 C114 Dy3 147(3) . . . . ?
Co3 O32 C114 O31 145(2) . . . . ?
Co3 O32 C114 C115 -32(3) . . . . ?
Co3 N6 C68 C66 -2.1(12) . . . . ?
Co3 N6 C69 C70 128.0(9) . . . . ?
Co3 N6 C69 C79 -51.6(11) . . . . ?
Co4 O24 C86 C81 -148.4(6) . . . . ?
Co4 O24 C86 C85 30.9(11) . . . . ?
Co4 O33 C99 O34 19.7(12) . . . . ?
Co4 O33 C99 C100 -159.0(6) . . . . ?
Co4 O36 C104 Dy4 -138(2) . . . . ?
Co4 O36 C104 O35 -136.8(18) . . . . ?
Co4 O36 C104 C105_a 41(3) . . . . ?
Co4 O36 C104 C151_b 41(3) . . . . ?
Co4 N3 C87 C85 5.1(12) . . . . ?
Co4 N3 C88 C89 -127.2(8) . . . . ?
Co4 N3 C88 C98 51.4(10) . . . . ?
O23 C81 C82 C83 179.0(8) . . . . ?
O23 C81 C86 O24 2.7(12) . . . . ?
O23 C81 C86 C85 -176.7(7) . . . . ?
O26 C62 C63 C64 -179.3(9) . . . . ?
O26 C62 C67 O27 -2.3(12) . . . . ?
O26 C62 C67 C66 176.9(7) . . . . ?
O29 C109 C110 C111_a 170(2) . . . . ?
O29 C109 C110 C112_a -74(3) . . . . ?
O29 C109 C110 C113_a 50(3) . . . . ?
O30 C109 C110 C111_a -10(4) . . . . ?
O30 C109 C110 C112_a 106(3) . . . . ?
O30 C109 C110 C113_a -130(2) . . . . ?
O31 C114 C115 C116 128.0(10) . . . . ?
O31 C114 C115 C117 -113.4(10) . . . . ?
O31 C114 C115 C118 8.0(12) . . . . ?
O32 C114 C115 C116 -54.7(12) . . . . ?
O32 C114 C115 C117 63.9(11) . . . . ?
O32 C114 C115 C118 -174.7(9) . . . . ?
O33 C99 C100 C101 62.9(10) . . . . ?
O33 C99 C100 C102 -55.4(11) . . . . ?
O33 C99 C100 C103 -177.2(8) . . . . ?
O34 C99 C100 C101 -115.9(9) . . . . ?
O34 C99 C100 C102 125.8(9) . . . . ?
O34 C99 C100 C103 4.0(12) . . . . ?
O35 C104 C105_a C106_a 37.3(17) . . . . ?
O35 C104 C105_a C107_a 113.7(14) . . . . ?
O35 C104 C105_a C108_a -135.8(12) . . . . ?
O35 C104 C151_b C153_b -68(2) . . . . ?
O35 C104 C151_b C154_b 157(2) . . . . ?
O35 C104 C151_b C152_b -16(3) . . . . ?
O36 C104 C105_a C106_a -140.2(13) . . . . ?
O36 C104 C105_a C107_a -63.8(16) . . . . ?
O36 C104 C105_a C108_a 46.7(17) . . . . ?
O36 C104 C151_b C153_b 113.8(17) . . . . ?
O36 C104 C151_b C154_b -21(3) . . . . ?
O36 C104 C151_b C152_b 166.1(16) . . . . ?
N1 N2 C89 C88 -6.6(9) . . . . ?
N1 N2 C89 C90 170.1(8) . . . . ?
N1 C92 C93 C94 -178.4(8) . . . . ?
N1 C92 C97 C96 177.2(9) . . . . ?
N2 N1 C92 C93 -34.1(12) . . . . ?
N2 N1 C92 C97 149.1(8) . . . . ?
N2 N1 C98 O25 170.3(7) . . . . ?
N2 N1 C98 C88 -4.2(9) . . . . ?
N3 C88 C89 N2 -177.3(8) . . . . ?
N3 C88 C89 C90 6.4(16) . . . . ?
N3 C88 C98 O25 7.7(15) . . . . ?
N3 C88 C98 N1 -178.6(7) . . . . ?
N4 N5 C70 C69 -3.5(10) . . . . ?
N4 N5 C70 C71 -179.6(8) . . . . ?
N4 C73 C74 C75 179.3(12) . . . . ?
N4 C73 C78 C77 179.8(11) . . . . ?
N5 N4 C73 C74 75.6(14) . . . . ?
N5 N4 C73 C78 -104.3(11) . . . . ?
N5 N4 C79 O28 173.9(8) . . . . ?
N5 N4 C79 C69 -6.4(10) . . . . ?
N6 C69 C70 N5 -180.0(9) . . . . ?
N6 C69 C70 C71 -4.4(16) . . . . ?
N6 C69 C79 O28 3.5(16) . . . . ?
N6 C69 C79 N4 -176.1(8) . . . . ?
C61 O26 C62 C63 -15.4(13) . . . . ?
C61 O26 C62 C67 165.8(8) . . . . ?
C62 C63 C64 C65 0.6(16) . . . . ?
C63 C62 C67 O27 178.9(9) . . . . ?
C63 C62 C67 C66 -1.9(14) . . . . ?
C63 C64 C65 C66 2.0(16) . . . . ?
C64 C65 C66 C67 -4.6(14) . . . . ?
C64 C65 C66 C68 175.1(9) . . . . ?
C65 C66 C67 O27 -176.4(8) . . . . ?
C65 C66 C67 C62 4.4(13) . . . . ?
C65 C66 C68 N6 -165.1(9) . . . . ?
C67 C62 C63 C64 -0.6(16) . . . . ?
C67 C66 C68 N6 14.5(15) . . . . ?
C68 N6 C69 C70 -42.1(13) . . . . ?
C68 N6 C69 C79 138.3(9) . . . . ?
C68 C66 C67 O27 4.0(14) . . . . ?
C68 C66 C67 C62 -175.2(8) . . . . ?
C69 N6 C68 C66 168.6(8) . . . . ?
C70 C69 C79 O28 -176.1(10) . . . . ?
C70 C69 C79 N4 4.2(10) . . . . ?
C72 N5 C70 C69 -143.7(9) . . . . ?
C72 N5 C70 C71 40.2(14) . . . . ?
C73 N4 N5 C70 167.3(8) . . . . ?
C73 N4 N5 C72 -50.4(12) . . . . ?
C73 N4 C79 O28 14.6(16) . . . . ?
C73 N4 C79 C69 -165.7(9) . . . . ?
C73 C74 C75 C76 1(2) . . . . ?
C74 C73 C78 C77 -0.1(18) . . . . ?
C74 C75 C76 C77 0(3) . . . . ?
C75 C76 C77 C78 -1(2) . . . . ?
C76 C77 C78 C73 1(2) . . . . ?
C78 C73 C74 C75 -1(2) . . . . ?
C79 N4 N5 C70 6.1(10) . . . . ?
C79 N4 N5 C72 148.5(9) . . . . ?
C79 N4 C73 C74 -127.3(12) . . . . ?
C79 N4 C73 C78 52.8(15) . . . . ?
C79 C69 C70 N5 -0.3(11) . . . . ?
C79 C69 C70 C71 175.3(9) . . . . ?
C80 O23 C81 C82 18.0(13) . . . . ?
C80 O23 C81 C86 -163.7(8) . . . . ?
C81 C82 C83 C84 -1.2(14) . . . . ?
C82 C81 C86 O24 -179.0(8) . . . . ?
C82 C81 C86 C85 1.7(13) . . . . ?
C82 C83 C84 C85 -1.0(14) . . . . ?
C83 C84 C85 C86 3.6(13) . . . . ?
C83 C84 C85 C87 -171.7(8) . . . . ?
C84 C85 C86 O24 176.9(8) . . . . ?
C84 C85 C86 C81 -3.8(12) . . . . ?
C84 C85 C87 N3 163.4(8) . . . . ?
C86 C81 C82 C83 0.9(14) . . . . ?
C86 C85 C87 N3 -11.6(14) . . . . ?
C87 N3 C88 C89 45.3(12) . . . . ?
C87 N3 C88 C98 -136.2(9) . . . . ?
C87 C85 C86 O24 -8.3(13) . . . . ?
C87 C85 C86 C81 171.0(8) . . . . ?
C88 N3 C87 C85 -167.3(8) . . . . ?
C89 C88 C98 O25 -173.5(9) . . . . ?
C89 C88 C98 N1 0.2(9) . . . . ?
C91 N2 C89 C88 -148.1(8) . . . . ?
C91 N2 C89 C90 28.6(13) . . . . ?
C92 N1 N2 C89 166.5(7) . . . . ?
C92 N1 N2 C91 -49.8(11) . . . . ?
C92 N1 C98 O25 11.6(13) . . . . ?
C92 N1 C98 C88 -162.9(8) . . . . ?
C92 C93 C94 C95 2.2(15) . . . . ?
C93 C92 C97 C96 0.4(14) . . . . ?
C93 C94 C95 C96 -1.5(18) . . . . ?
C94 C95 C96 C97 0.1(18) . . . . ?
C95 C96 C97 C92 0.4(15) . . . . ?
C97 C92 C93 C94 -1.7(13) . . . . ?
C98 N1 N2 C89 6.6(9) . . . . ?
C98 N1 N2 C91 150.4(8) . . . . ?
C98 N1 C92 C93 122.0(9) . . . . ?
C98 N1 C92 C97 -54.8(12) . . . . ?
C98 C88 C89 N2 4.0(10) . . . . ?
C98 C88 C89 C90 -172.3(9) . . . . ?
C105_a C104 C151_b C153_b 131(52) . . . . ?
C105_a C104 C151_b C154_b -3(49) . . . . ?
C105_a C104 C151_b C152_b -176(100) . . . . ?
C141_a C44 C45_b C46_b 44(6) . . . . ?
C141_a C44 C45_b C47_b 149(7) . . . . ?
C141_a C44 C45_b C48_b -133(7) . . . . ?
C151_b C104 C105_a C106_a 57(50) . . . . ?
C151_b C104 C105_a C107_a 133(51) . . . . ?
C151_b C104 C105_a C108_a -116(51) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'

# start Validation Reply Form
_vrf_PLAT097_2014ncs0839         
;
PROBLEM: Large Reported Max.  (Positive) Residual Density       6.75 eA-3  

RESPONSE: 

All crystals attempted were split and this results in slightly inaccurate 
peak intensities giving rise to a few areas of high residual density. 
Attempts to model the splitting using various twin refinement programs
 all produced worse results. The given data still provides suitable 
evidence for the structure of the compound.
;
####################################################################### 
# 
# 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_w10d22bb
_database_code_depnum_ccdc_archive 'CCDC 1055918'
_audit_update_record             
;
2015-03-24 deposited with the CCDC.
2015-06-19 downloaded from the CCDC.
;
_audit_creation_date             2014-12-08
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.11.25 svn.r3098 for OlexSys, GUI svn.r4951)
;
_shelxl_version_number           2014-1
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C52 H66 Co Dy3 N9 O23, 2(C H4 O)'
_chemical_formula_sum            'C54 H74 Co Dy3 N9 O25'
_chemical_formula_weight         1795.65
_chemical_melting_point          ?
_chemical_oxdiff_formula         Co2Dy2C60H60O30N10
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'
Co Co 0.3494 0.9721 '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 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   17.0866(7)
_cell_length_b                   19.9394(7)
_cell_length_c                   20.2635(9)
_cell_angle_alpha                90
_cell_angle_beta                 109.693(5)
_cell_angle_gamma                90
_cell_volume                     6499.9(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6449
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      29.0870
_cell_measurement_theta_min      3.8230
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.746
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.48795
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34i (release 04-08-2014 CrysAlis171 .NET)
(compiled Aug  4 2014,14:34:23)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.835
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             3544
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.08
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0300
_diffrn_reflns_av_unetI/netI     0.0433
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.828
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            16618
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.828
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         29.515
_diffrn_reflns_theta_min         3.254
_diffrn_ambient_temperature      173
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1033
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.828
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -82.00   -2.00   1.0000  190.0000
omega____ theta____ kappa____ phi______ frames
    -      -15.9733  -57.0000   30.0000 80

#__ type_ start__ end____ width___ exp.time_
  2 omega  -78.00   -7.00   1.0000  190.0000
omega____ theta____ kappa____ phi______ frames
    -      -15.9733  -57.0000  -90.0000 71

#__ type_ start__ end____ width___ exp.time_
  3 omega  -76.00  -37.00   1.0000  190.0000
omega____ theta____ kappa____ phi______ frames
    -      -15.9733 -178.0000   60.0000 39

#__ type_ start__ end____ width___ exp.time_
  4 omega    4.00   56.00   1.0000  190.0000
omega____ theta____ kappa____ phi______ frames
    -       16.5983  -99.0000 -150.0000 52
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0041333000
_diffrn_orient_matrix_UB_12      -0.0314569000
_diffrn_orient_matrix_UB_13      0.0148724000
_diffrn_orient_matrix_UB_21      -0.0269773000
_diffrn_orient_matrix_UB_22      -0.0111304000
_diffrn_orient_matrix_UB_23      -0.0330663000
_diffrn_orient_matrix_UB_31      0.0346058000
_diffrn_orient_matrix_UB_32      -0.0124272000
_diffrn_orient_matrix_UB_33      -0.0080900000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6309
_reflns_number_total             7502
_reflns_odcompleteness_completeness 99.75
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34i (release 04-08-2014 CrysAlis171 .NET)
(compiled Aug  4 2014,14:34:23)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34i (release 04-08-2014 CrysAlis171 .NET)
(compiled Aug  4 2014,14:34:23)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34i (release 04-08-2014 CrysAlis171 .NET)
(compiled Aug  4 2014,14:34:23)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         1.465
_refine_diff_density_min         -0.946
_refine_diff_density_rms         0.121
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     427
_refine_ls_number_reflns         7502
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0438
_refine_ls_R_factor_gt           0.0327
_refine_ls_restrained_S_all      1.066
_refine_ls_shift/su_max          0.014
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0303P)²+4.1066P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0705
_refine_ls_wR_factor_ref         0.0759
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C8(H8), C15(H15), C16(H16), C17(H17), C18(H18),
 C19(H19)
2.b Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C12(H12A,H12B,H12C), C13(H13A,H13B,H13C), C20(H20A,H20B,
 H20C), C21(H21A,H21B,H21C), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C26(H26A,
 H26B,H26C), C27(H27A,H27B,H27C)
2.c Idealised tetrahedral OH refined as rotating group:
 O13(H13)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.5000 0.44359(2) 0.2500 0.02090(7) Uani 1 2 d S T P . .
Dy2 Dy 0.68600(2) 0.54151(2) 0.32390(2) 0.02296(6) Uani 1 1 d . . . . .
Co1 Co 0.5000 0.62753(4) 0.2500 0.02001(15) Uani 1 2 d S T P . .
O1 O 0.22785(15) 0.60826(15) 0.23433(14) 0.0322(7) Uani 1 1 d . . . . .
O2 O 0.38517(14) 0.62484(13) 0.25825(12) 0.0236(6) Uani 1 1 d . . . . .
O3 O 0.69824(15) 0.63225(14) 0.39534(13) 0.0264(6) Uani 1 1 d . . . . .
O4 O 0.45193(15) 0.54533(13) 0.18076(12) 0.0220(6) Uani 1 1 d . . . . .
O5 O 0.62128(15) 0.47229(14) 0.23723(13) 0.0258(6) Uani 1 1 d . . . . .
O6 O 0.56646(17) 0.40519(15) 0.36468(13) 0.0323(6) Uani 1 1 d . . . . .
O7 O 0.68333(17) 0.46380(16) 0.40670(15) 0.0367(7) Uani 1 1 d . . . . .
O8 O 0.44154(15) 0.33020(14) 0.25944(14) 0.0298(6) Uani 1 1 d . . . . .
O9 O 0.5000 0.2353(2) 0.2500 0.0410(10) Uani 1 2 d S T P . .
O10 O 0.79493(18) 0.45757(16) 0.32448(17) 0.0419(8) Uani 1 1 d . . . . .
O11 O 0.82844(17) 0.52998(16) 0.40915(16) 0.0408(8) Uani 1 1 d . . . . .
O12 O 0.8949(2) 0.4354(2) 0.4226(2) 0.0789(14) Uani 1 1 d . . . . .
N1 N 0.53417(18) 0.70796(17) 0.32702(15) 0.0234(7) Uani 1 1 d . . . . .
N2 N 0.75471(19) 0.73762(18) 0.40489(16) 0.0283(7) Uani 1 1 d . . . . .
N3 N 0.7273(2) 0.80230(18) 0.38224(17) 0.0320(8) Uani 1 1 d . . . . .
N4 N 0.5000 0.2971(3) 0.2500 0.0292(11) Uani 1 2 d S T P . .
N5 N 0.8413(2) 0.4735(2) 0.3860(2) 0.0456(10) Uani 1 1 d . . . . .
C1 C 0.1439(3) 0.5936(3) 0.2306(3) 0.0501(13) Uani 1 1 d . . . . .
H1A H 0.1056 0.6249 0.1982 0.075 Uiso 1 1 calc GR . . . .
H1B H 0.1392 0.5984 0.2773 0.075 Uiso 1 1 calc GR . . . .
H1C H 0.1297 0.5476 0.2140 0.075 Uiso 1 1 calc GR . . . .
C2 C 0.2625(2) 0.6673(2) 0.26903(19) 0.0266(9) Uani 1 1 d . . . . .
C3 C 0.2178(2) 0.7161(2) 0.2883(2) 0.0334(10) Uani 1 1 d . . . . .
H3 H 0.1596 0.7110 0.2779 0.040 Uiso 1 1 calc R . . . .
C4 C 0.2583(3) 0.7733(2) 0.3231(2) 0.0390(11) Uani 1 1 d . . . . .
H4 H 0.2274 0.8083 0.3347 0.047 Uiso 1 1 calc R . . . .
C5 C 0.3419(3) 0.7786(2) 0.3404(2) 0.0350(10) Uani 1 1 d . . . . .
H5 H 0.3693 0.8166 0.3662 0.042 Uiso 1 1 calc R . . . .
C6 C 0.3896(2) 0.7287(2) 0.32080(19) 0.0271(9) Uani 1 1 d . . . . .
C7 C 0.3478(2) 0.6726(2) 0.28188(18) 0.0235(8) Uani 1 1 d . . . . .
C8 C 0.4783(2) 0.7403(2) 0.34368(19) 0.0289(9) Uani 1 1 d . . . . .
H8 H 0.4980 0.7767 0.3752 0.035 Uiso 1 1 calc R . . . .
C9 C 0.6161(2) 0.7348(2) 0.35542(18) 0.0256(8) Uani 1 1 d . . . . .
C10 C 0.6422(2) 0.7998(2) 0.3542(2) 0.0310(9) Uani 1 1 d . . . . .
C11 C 0.6890(2) 0.6943(2) 0.38614(18) 0.0253(8) Uani 1 1 d . . . . .
C12 C 0.5949(3) 0.8618(2) 0.3264(2) 0.0444(12) Uani 1 1 d . . . . .
H12A H 0.5995 0.8926 0.3651 0.067 Uiso 1 1 calc GR . . . .
H12B H 0.5363 0.8505 0.3025 0.067 Uiso 1 1 calc GR . . . .
H12C H 0.6175 0.8832 0.2931 0.067 Uiso 1 1 calc GR . . . .
C13 C 0.7733(3) 0.8590(2) 0.4231(2) 0.0349(10) Uani 1 1 d . . . . .
H13A H 0.7751 0.8549 0.4718 0.052 Uiso 1 1 calc GR . . . .
H13B H 0.7454 0.9010 0.4031 0.052 Uiso 1 1 calc GR . . . .
H13C H 0.8300 0.8592 0.4216 0.052 Uiso 1 1 calc GR . . . .
C14 C 0.8404(2) 0.7203(2) 0.4232(2) 0.0305(9) Uani 1 1 d . . . . .
C15 C 0.8875(3) 0.7481(2) 0.3858(2) 0.0364(10) Uani 1 1 d . . . . .
H15 H 0.8633 0.7782 0.3481 0.044 Uiso 1 1 calc R . . . .
C16 C 0.9712(3) 0.7305(3) 0.4054(2) 0.0442(12) Uani 1 1 d . . . . .
H16 H 1.0049 0.7497 0.3814 0.053 Uiso 1 1 calc R . . . .
C17 C 1.0056(3) 0.6859(3) 0.4588(2) 0.0424(11) Uani 1 1 d . . . . .
H17 H 1.0629 0.6747 0.4721 0.051 Uiso 1 1 calc R . . . .
C18 C 0.9564(2) 0.6572(2) 0.4932(2) 0.0348(10) Uani 1 1 d . . . . .
H18 H 0.9796 0.6248 0.5289 0.042 Uiso 1 1 calc R . . . .
C19 C 0.8747(2) 0.6749(2) 0.4763(2) 0.0316(9) Uani 1 1 d . . . . .
H19 H 0.8417 0.6560 0.5011 0.038 Uiso 1 1 calc R . . . .
C20 C 0.6533(3) 0.4412(2) 0.1891(2) 0.0354(10) Uani 1 1 d . . . . .
H20A H 0.6896 0.4039 0.2122 0.053 Uiso 1 1 calc GR . . . .
H20B H 0.6852 0.4739 0.1725 0.053 Uiso 1 1 calc GR . . . .
H20C H 0.6073 0.4241 0.1492 0.053 Uiso 1 1 calc GR . . . .
C21 C 0.4727(3) 0.5547(2) 0.1178(2) 0.0298(9) Uani 1 1 d . . . . .
H21A H 0.5269 0.5769 0.1298 0.045 Uiso 1 1 calc GR . . . .
H21B H 0.4302 0.5827 0.0847 0.045 Uiso 1 1 calc GR . . . .
H21C H 0.4751 0.5110 0.0965 0.045 Uiso 1 1 calc GR . . . .
C22 C 0.6307(2) 0.4226(2) 0.4140(2) 0.0301(9) Uani 1 1 d . . . . .
C23 C 0.6460(3) 0.3933(3) 0.4863(2) 0.0438(12) Uani 1 1 d . . . . .
C24 C 0.6917(4) 0.3287(4) 0.4894(3) 0.087(2) Uani 1 1 d . . . . .
H24A H 0.6609 0.3003 0.4497 0.131 Uiso 1 1 calc GR . . . .
H24B H 0.6971 0.3054 0.5333 0.131 Uiso 1 1 calc GR . . . .
H24C H 0.7472 0.3380 0.4873 0.131 Uiso 1 1 calc GR . . . .
C25 C 0.5623(4) 0.3801(3) 0.4972(3) 0.0636(16) Uani 1 1 d . . . . .
H25A H 0.5344 0.4229 0.4980 0.095 Uiso 1 1 calc GR . . . .
H25B H 0.5722 0.3567 0.5418 0.095 Uiso 1 1 calc GR . . . .
H25C H 0.5270 0.3524 0.4587 0.095 Uiso 1 1 calc GR . . . .
C26 C 0.6917(4) 0.4430(4) 0.5425(3) 0.086(2) Uani 1 1 d . . . . .
H26A H 0.7457 0.4536 0.5379 0.129 Uiso 1 1 calc GR . . . .
H26B H 0.7003 0.4235 0.5888 0.129 Uiso 1 1 calc GR . . . .
H26C H 0.6588 0.4841 0.5371 0.129 Uiso 1 1 calc GR . . . .
O13 O 0.8830(3) 0.5256(2) 0.5611(2) 0.0677(11) Uani 1 1 d . . . . .
H13 H 0.8712 0.5206 0.5176 0.102 Uiso 1 1 calc GR . . . .
C27 C 0.9388(4) 0.4748(4) 0.5967(4) 0.088(2) Uani 1 1 d . . . . .
H27A H 0.9829 0.4702 0.5762 0.132 Uiso 1 1 calc GR . . . .
H27B H 0.9089 0.4322 0.5922 0.132 Uiso 1 1 calc GR . . . .
H27C H 0.9634 0.4866 0.6463 0.132 Uiso 1 1 calc GR . . . .


_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 Dy2 3.5983(3) . ?
Dy1 Dy2 3.5983(3) 2_655 ?
Dy1 O4 2.446(3) 2_655 ?
Dy1 O4 2.446(3) . ?
Dy1 O5 2.247(2) 2_655 ?
Dy1 O5 2.247(2) . ?
Dy1 O6 2.345(3) . ?
Dy1 O6 2.345(3) 2_655 ?
Dy1 O8 2.505(3) . ?
Dy1 O8 2.505(3) 2_655 ?
Dy1 N4 2.922(5) . ?
Dy2 Co1 3.4752(4) . ?
Dy2 O1 2.550(3) 2_655 ?
Dy2 O2 2.376(2) 2_655 ?
Dy2 O3 2.282(3) . ?
Dy2 O4 2.328(2) 2_655 ?
Dy2 O5 2.214(3) . ?
Dy2 O7 2.296(3) . ?
Dy2 O10 2.500(3) . ?
Dy2 O11 2.475(3) . ?
Dy2 N5 2.865(4) . ?
Co1 Dy2 3.4752(4) 2_655 ?
Co1 O2 2.025(2) 2_655 ?
Co1 O2 2.025(2) . ?
Co1 O4 2.134(3) . ?
Co1 O4 2.134(3) 2_655 ?
Co1 N1 2.176(3) 2_655 ?
Co1 N1 2.176(3) . ?
O1 Dy2 2.550(3) 2_655 ?
O1 C1 1.441(5) . ?
O1 C2 1.396(5) . ?
O2 Dy2 2.376(2) 2_655 ?
O2 C7 1.323(4) . ?
O3 C11 1.253(5) . ?
O4 Dy2 2.328(2) 2_655 ?
O4 C21 1.446(4) . ?
O5 C20 1.412(4) . ?
O6 C22 1.258(5) . ?
O7 C22 1.263(5) . ?
O8 N4 1.265(4) . ?
O9 N4 1.231(6) . ?
O10 N5 1.271(5) . ?
O11 N5 1.267(5) . ?
O12 N5 1.229(5) . ?
N1 C8 1.288(5) . ?
N1 C9 1.427(5) . ?
N2 N3 1.396(5) . ?
N2 C11 1.365(5) . ?
N2 C14 1.427(5) . ?
N3 C10 1.372(5) . ?
N3 C13 1.464(5) . ?
N4 O8 1.265(4) 2_655 ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 C3 1.373(5) . ?
C2 C7 1.394(5) . ?
C3 H3 0.9500 . ?
C3 C4 1.396(6) . ?
C4 H4 0.9500 . ?
C4 C5 1.355(6) . ?
C5 H5 0.9500 . ?
C5 C6 1.426(6) . ?
C6 C7 1.416(6) . ?
C6 C8 1.446(5) . ?
C8 H8 0.9500 . ?
C9 C10 1.375(6) . ?
C9 C11 1.438(5) . ?
C10 C12 1.480(6) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C15 1.393(6) . ?
C14 C19 1.376(6) . ?
C15 H15 0.9500 . ?
C15 C16 1.394(6) . ?
C16 H16 0.9500 . ?
C16 C17 1.371(7) . ?
C17 H17 0.9500 . ?
C17 C18 1.385(6) . ?
C18 H18 0.9500 . ?
C18 C19 1.367(6) . ?
C19 H19 0.9500 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.516(6) . ?
C23 C24 1.497(8) . ?
C23 C25 1.542(7) . ?
C23 C26 1.514(8) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
O13 H13 0.8400 . ?
O13 C27 1.411(7) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?

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
Dy2 Dy1 Dy2 114.273(10) 2_655 . ?
O4 Dy1 Dy2 39.86(6) 2_655 . ?
O4 Dy1 Dy2 82.38(6) . . ?
O4 Dy1 Dy2 82.38(6) 2_655 2_655 ?
O4 Dy1 Dy2 39.86(6) . 2_655 ?
O4 Dy1 O4 67.92(12) . 2_655 ?
O4 Dy1 O8 136.63(8) . . ?
O4 Dy1 O8 140.38(8) . 2_655 ?
O4 Dy1 O8 140.38(8) 2_655 . ?
O4 Dy1 O8 136.63(8) 2_655 2_655 ?
O4 Dy1 N4 146.04(6) 2_655 . ?
O4 Dy1 N4 146.04(6) . . ?
O5 Dy1 Dy2 122.23(7) . 2_655 ?
O5 Dy1 Dy2 122.23(7) 2_655 . ?
O5 Dy1 Dy2 35.94(7) . . ?
O5 Dy1 Dy2 35.94(7) 2_655 2_655 ?
O5 Dy1 O4 73.17(9) 2_655 . ?
O5 Dy1 O4 82.36(9) . . ?
O5 Dy1 O4 73.17(9) . 2_655 ?
O5 Dy1 O4 82.36(9) 2_655 2_655 ?
O5 Dy1 O5 150.49(14) 2_655 . ?
O5 Dy1 O6 97.26(9) 2_655 . ?
O5 Dy1 O6 97.26(9) . 2_655 ?
O5 Dy1 O6 92.29(9) 2_655 2_655 ?
O5 Dy1 O6 92.29(9) . . ?
O5 Dy1 O8 79.29(9) 2_655 . ?
O5 Dy1 O8 130.21(9) 2_655 2_655 ?
O5 Dy1 O8 130.21(9) . . ?
O5 Dy1 O8 79.29(9) . 2_655 ?
O5 Dy1 N4 104.76(7) 2_655 . ?
O5 Dy1 N4 104.75(7) . . ?
O6 Dy1 Dy2 72.54(7) 2_655 2_655 ?
O6 Dy1 Dy2 72.54(7) . . ?
O6 Dy1 Dy2 130.88(7) . 2_655 ?
O6 Dy1 Dy2 130.88(7) 2_655 . ?
O6 Dy1 O4 75.26(9) . 2_655 ?
O6 Dy1 O4 142.78(9) . . ?
O6 Dy1 O4 142.78(9) 2_655 2_655 ?
O6 Dy1 O4 75.25(9) 2_655 . ?
O6 Dy1 O6 141.88(15) 2_655 . ?
O6 Dy1 O8 72.66(9) . . ?
O6 Dy1 O8 73.05(9) . 2_655 ?
O6 Dy1 O8 72.66(9) 2_655 2_655 ?
O6 Dy1 O8 73.05(10) 2_655 . ?
O6 Dy1 N4 70.94(7) . . ?
O6 Dy1 N4 70.94(7) 2_655 . ?
O8 Dy1 Dy2 101.69(6) . 2_655 ?
O8 Dy1 Dy2 101.69(6) 2_655 . ?
O8 Dy1 Dy2 140.99(6) . . ?
O8 Dy1 Dy2 140.99(6) 2_655 2_655 ?
O8 Dy1 O8 51.00(12) 2_655 . ?
O8 Dy1 N4 25.50(6) 2_655 . ?
O8 Dy1 N4 25.50(6) . . ?
N4 Dy1 Dy2 122.864(5) . 2_655 ?
N4 Dy1 Dy2 122.863(5) . . ?
Co1 Dy2 Dy1 62.437(12) . . ?
O1 Dy2 Dy1 131.10(6) 2_655 . ?
O1 Dy2 Co1 97.45(6) 2_655 . ?
O1 Dy2 N5 81.77(10) 2_655 . ?
O2 Dy2 Dy1 85.19(6) 2_655 . ?
O2 Dy2 Co1 34.43(6) 2_655 . ?
O2 Dy2 O1 63.24(8) 2_655 2_655 ?
O2 Dy2 O10 132.52(10) 2_655 . ?
O2 Dy2 O11 134.80(10) 2_655 . ?
O2 Dy2 N5 144.90(10) 2_655 . ?
O3 Dy2 Dy1 124.99(6) . . ?
O3 Dy2 Co1 75.94(6) . . ?
O3 Dy2 O1 86.33(9) . 2_655 ?
O3 Dy2 O2 78.81(9) . 2_655 ?
O3 Dy2 O4 82.81(9) . 2_655 ?
O3 Dy2 O7 95.26(11) . . ?
O3 Dy2 O10 128.23(9) . . ?
O3 Dy2 O11 76.85(10) . . ?
O3 Dy2 N5 102.90(11) . . ?
O4 Dy2 Dy1 42.33(6) 2_655 . ?
O4 Dy2 Co1 36.87(6) 2_655 . ?
O4 Dy2 O1 134.32(9) 2_655 2_655 ?
O4 Dy2 O2 71.13(8) 2_655 2_655 ?
O4 Dy2 O10 139.82(10) 2_655 . ?
O4 Dy2 O11 140.83(10) 2_655 . ?
O4 Dy2 N5 143.92(11) 2_655 . ?
O5 Dy2 Dy1 36.56(6) . . ?
O5 Dy2 Co1 79.99(7) . . ?
O5 Dy2 O1 99.80(9) . 2_655 ?
O5 Dy2 O2 83.07(10) . 2_655 ?
O5 Dy2 O3 155.74(9) . . ?
O5 Dy2 O4 76.12(9) . 2_655 ?
O5 Dy2 O7 91.80(10) . . ?
O5 Dy2 O10 76.02(10) . . ?
O5 Dy2 O11 127.33(10) . . ?
O5 Dy2 N5 101.21(11) . . ?
O7 Dy2 Dy1 72.88(7) . . ?
O7 Dy2 Co1 114.05(7) . . ?
O7 Dy2 O1 147.93(9) . 2_655 ?
O7 Dy2 O2 148.48(9) . 2_655 ?
O7 Dy2 O4 77.44(9) . 2_655 ?
O7 Dy2 O10 75.09(11) . . ?
O7 Dy2 O11 71.60(10) . . ?
O7 Dy2 N5 66.61(11) . . ?
O10 Dy2 Dy1 100.98(7) . . ?
O10 Dy2 Co1 154.65(7) . . ?
O10 Dy2 O1 78.86(10) . 2_655 ?
O10 Dy2 N5 26.30(11) . . ?
O11 Dy2 Dy1 139.72(8) . . ?
O11 Dy2 Co1 152.61(8) . . ?
O11 Dy2 O1 77.66(10) . 2_655 ?
O11 Dy2 O10 51.63(10) . . ?
O11 Dy2 N5 26.16(10) . . ?
N5 Dy2 Dy1 118.89(9) . . ?
N5 Dy2 Co1 178.66(9) . . ?
Dy2 Co1 Dy2 120.85(2) 2_655 . ?
O2 Co1 Dy2 136.23(8) 2_655 2_655 ?
O2 Co1 Dy2 41.56(7) 2_655 . ?
O2 Co1 Dy2 41.56(7) . 2_655 ?
O2 Co1 Dy2 136.23(8) . . ?
O2 Co1 O2 176.96(16) 2_655 . ?
O2 Co1 O4 95.41(10) . 2_655 ?
O2 Co1 O4 95.41(10) 2_655 . ?
O2 Co1 O4 82.24(10) 2_655 2_655 ?
O2 Co1 O4 82.24(10) . . ?
O2 Co1 N1 89.64(11) 2_655 2_655 ?
O2 Co1 N1 89.63(11) . . ?
O2 Co1 N1 92.61(11) . 2_655 ?
O2 Co1 N1 92.61(11) 2_655 . ?
O4 Co1 Dy2 40.89(7) 2_655 . ?
O4 Co1 Dy2 89.87(7) 2_655 2_655 ?
O4 Co1 Dy2 89.87(7) . . ?
O4 Co1 Dy2 40.90(7) . 2_655 ?
O4 Co1 O4 79.63(13) 2_655 . ?
O4 Co1 N1 171.34(10) . . ?
O4 Co1 N1 171.34(10) 2_655 2_655 ?
O4 Co1 N1 98.26(10) . 2_655 ?
O4 Co1 N1 98.26(10) 2_655 . ?
N1 Co1 Dy2 93.97(8) 2_655 2_655 ?
N1 Co1 Dy2 131.16(8) . 2_655 ?
N1 Co1 Dy2 131.16(8) 2_655 . ?
N1 Co1 Dy2 93.97(8) . . ?
N1 Co1 N1 85.04(16) . 2_655 ?
C1 O1 Dy2 126.2(3) . 2_655 ?
C2 O1 Dy2 117.4(2) . 2_655 ?
C2 O1 C1 116.3(3) . . ?
Co1 O2 Dy2 104.01(10) . 2_655 ?
C7 O2 Dy2 124.1(2) . 2_655 ?
C7 O2 Co1 127.6(2) . . ?
C11 O3 Dy2 135.1(2) . . ?
Dy2 O4 Dy1 97.80(9) 2_655 . ?
Co1 O4 Dy1 106.23(10) . . ?
Co1 O4 Dy2 102.23(10) . 2_655 ?
C21 O4 Dy1 118.6(2) . . ?
C21 O4 Dy2 121.0(2) . 2_655 ?
C21 O4 Co1 109.0(2) . . ?
Dy2 O5 Dy1 107.51(10) . . ?
C20 O5 Dy1 123.7(2) . . ?
C20 O5 Dy2 128.0(2) . . ?
C22 O6 Dy1 134.3(3) . . ?
C22 O7 Dy2 135.6(3) . . ?
N4 O8 Dy1 96.0(3) . . ?
N5 O10 Dy2 93.1(2) . . ?
N5 O11 Dy2 94.4(2) . . ?
C8 N1 Co1 120.9(3) . . ?
C8 N1 C9 114.8(3) . . ?
C9 N1 Co1 123.7(2) . . ?
N3 N2 C14 120.7(3) . . ?
C11 N2 N3 109.9(3) . . ?
C11 N2 C14 126.5(4) . . ?
N2 N3 C13 118.1(3) . . ?
C10 N3 N2 107.1(3) . . ?
C10 N3 C13 123.6(4) . . ?
O8 N4 Dy1 58.5(2) 2_655 . ?
O8 N4 Dy1 58.5(2) . . ?
O8 N4 O8 117.0(5) 2_655 . ?
O9 N4 Dy1 180.0 . . ?
O9 N4 O8 121.5(2) . . ?
O9 N4 O8 121.5(2) . 2_655 ?
O10 N5 Dy2 60.6(2) . . ?
O11 N5 Dy2 59.47(19) . . ?
O11 N5 O10 117.2(4) . . ?
O12 N5 Dy2 161.8(4) . . ?
O12 N5 O10 122.0(4) . . ?
O12 N5 O11 120.8(4) . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C3 C2 O1 123.9(4) . . ?
C3 C2 C7 122.6(4) . . ?
C7 C2 O1 113.4(3) . . ?
C2 C3 H3 120.2 . . ?
C2 C3 C4 119.6(4) . . ?
C4 C3 H3 120.2 . . ?
C3 C4 H4 120.2 . . ?
C5 C4 C3 119.6(4) . . ?
C5 C4 H4 120.2 . . ?
C4 C5 H5 119.1 . . ?
C4 C5 C6 121.7(4) . . ?
C6 C5 H5 119.1 . . ?
C5 C6 C8 115.8(4) . . ?
C7 C6 C5 118.5(4) . . ?
C7 C6 C8 125.7(4) . . ?
O2 C7 C2 118.6(3) . . ?
O2 C7 C6 123.7(3) . . ?
C2 C7 C6 117.7(3) . . ?
N1 C8 C6 128.6(4) . . ?
N1 C8 H8 115.7 . . ?
C6 C8 H8 115.7 . . ?
N1 C9 C11 123.6(4) . . ?
C10 C9 N1 128.8(4) . . ?
C10 C9 C11 107.4(3) . . ?
N3 C10 C9 109.3(4) . . ?
N3 C10 C12 119.7(4) . . ?
C9 C10 C12 131.0(4) . . ?
O3 C11 N2 122.2(3) . . ?
O3 C11 C9 131.8(3) . . ?
N2 C11 C9 106.0(4) . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N3 C13 H13A 109.5 . . ?
N3 C13 H13B 109.5 . . ?
N3 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C15 C14 N2 119.5(4) . . ?
C19 C14 N2 119.5(4) . . ?
C19 C14 C15 121.0(4) . . ?
C14 C15 H15 121.0 . . ?
C14 C15 C16 118.0(4) . . ?
C16 C15 H15 121.0 . . ?
C15 C16 H16 119.5 . . ?
C17 C16 C15 120.9(4) . . ?
C17 C16 H16 119.5 . . ?
C16 C17 H17 120.2 . . ?
C16 C17 C18 119.6(4) . . ?
C18 C17 H17 120.2 . . ?
C17 C18 H18 119.7 . . ?
C19 C18 C17 120.6(4) . . ?
C19 C18 H18 119.7 . . ?
C14 C19 H19 120.1 . . ?
C18 C19 C14 119.7(4) . . ?
C18 C19 H19 120.1 . . ?
O5 C20 H20A 109.5 . . ?
O5 C20 H20B 109.5 . . ?
O5 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
O4 C21 H21A 109.5 . . ?
O4 C21 H21B 109.5 . . ?
O4 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
O6 C22 O7 123.5(4) . . ?
O6 C22 C23 118.7(4) . . ?
O7 C22 C23 117.8(4) . . ?
C22 C23 C25 109.8(4) . . ?
C24 C23 C22 106.9(4) . . ?
C24 C23 C25 110.1(5) . . ?
C24 C23 C26 113.7(5) . . ?
C26 C23 C22 110.6(4) . . ?
C26 C23 C25 105.8(5) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C27 O13 H13 109.5 . . ?
O13 C27 H27A 109.5 . . ?
O13 C27 H27B 109.5 . . ?
O13 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O6 C22 O7 -10.6(6) . . . . ?
Dy1 O6 C22 C23 169.0(3) . . . . ?
Dy1 O8 N4 O8 0.002(0) . . . 2_655 ?
Dy1 O8 N4 O9 180.000(0) . . . . ?
Dy2 O1 C2 C3 164.0(3) 2_655 . . . ?
Dy2 O1 C2 C7 -15.2(4) 2_655 . . . ?
Dy2 O2 C7 C2 12.8(5) 2_655 . . . ?
Dy2 O2 C7 C6 -168.4(3) 2_655 . . . ?
Dy2 O3 C11 N2 -108.7(4) . . . . ?
Dy2 O3 C11 C9 69.8(6) . . . . ?
Dy2 O7 C22 O6 15.8(7) . . . . ?
Dy2 O7 C22 C23 -163.8(3) . . . . ?
Dy2 O10 N5 O11 -19.1(4) . . . . ?
Dy2 O10 N5 O12 159.0(4) . . . . ?
Dy2 O11 N5 O10 19.4(4) . . . . ?
Dy2 O11 N5 O12 -158.8(4) . . . . ?
Co1 O2 C7 C2 165.8(3) . . . . ?
Co1 O2 C7 C6 -15.3(5) . . . . ?
Co1 N1 C8 C6 4.3(6) . . . . ?
Co1 N1 C9 C10 122.1(4) . . . . ?
Co1 N1 C9 C11 -52.0(5) . . . . ?
O1 C2 C3 C4 179.7(4) . . . . ?
O1 C2 C7 O2 2.8(5) . . . . ?
O1 C2 C7 C6 -176.1(3) . . . . ?
O6 C22 C23 C24 87.2(6) . . . . ?
O6 C22 C23 C25 -32.2(6) . . . . ?
O6 C22 C23 C26 -148.5(5) . . . . ?
O7 C22 C23 C24 -93.1(6) . . . . ?
O7 C22 C23 C25 147.4(4) . . . . ?
O7 C22 C23 C26 31.1(6) . . . . ?
N1 C9 C10 N3 -174.7(4) . . . . ?
N1 C9 C10 C12 2.7(7) . . . . ?
N1 C9 C11 O3 -0.6(7) . . . . ?
N1 C9 C11 N2 178.1(3) . . . . ?
N2 N3 C10 C9 -3.1(4) . . . . ?
N2 N3 C10 C12 179.1(4) . . . . ?
N2 C14 C15 C16 179.6(4) . . . . ?
N2 C14 C19 C18 178.8(4) . . . . ?
N3 N2 C11 O3 174.0(3) . . . . ?
N3 N2 C11 C9 -4.9(4) . . . . ?
N3 N2 C14 C15 -35.8(5) . . . . ?
N3 N2 C14 C19 146.0(4) . . . . ?
C1 O1 C2 C3 -11.6(6) . . . . ?
C1 O1 C2 C7 169.1(4) . . . . ?
C2 C3 C4 C5 -2.9(7) . . . . ?
C3 C2 C7 O2 -176.4(4) . . . . ?
C3 C2 C7 C6 4.6(6) . . . . ?
C3 C4 C5 C6 3.2(7) . . . . ?
C4 C5 C6 C7 0.5(6) . . . . ?
C4 C5 C6 C8 -179.0(4) . . . . ?
C5 C6 C7 O2 176.9(3) . . . . ?
C5 C6 C7 C2 -4.3(6) . . . . ?
C5 C6 C8 N1 -171.5(4) . . . . ?
C7 C2 C3 C4 -1.0(6) . . . . ?
C7 C6 C8 N1 9.0(7) . . . . ?
C8 N1 C9 C10 -49.7(6) . . . . ?
C8 N1 C9 C11 136.2(4) . . . . ?
C8 C6 C7 O2 -3.7(6) . . . . ?
C8 C6 C7 C2 175.2(4) . . . . ?
C9 N1 C8 C6 176.3(4) . . . . ?
C10 C9 C11 O3 -175.8(4) . . . . ?
C10 C9 C11 N2 2.9(4) . . . . ?
C11 N2 N3 C10 5.0(4) . . . . ?
C11 N2 N3 C13 150.3(3) . . . . ?
C11 N2 C14 C15 122.9(4) . . . . ?
C11 N2 C14 C19 -55.4(6) . . . . ?
C11 C9 C10 N3 0.1(4) . . . . ?
C11 C9 C10 C12 177.6(4) . . . . ?
C13 N3 C10 C9 -145.9(4) . . . . ?
C13 N3 C10 C12 36.3(6) . . . . ?
C14 N2 N3 C10 166.9(3) . . . . ?
C14 N2 N3 C13 -47.9(5) . . . . ?
C14 N2 C11 O3 13.4(6) . . . . ?
C14 N2 C11 C9 -165.4(3) . . . . ?
C14 C15 C16 C17 1.5(7) . . . . ?
C15 C14 C19 C18 0.6(6) . . . . ?
C15 C16 C17 C18 0.9(7) . . . . ?
C16 C17 C18 C19 -2.6(7) . . . . ?
C17 C18 C19 C14 1.9(6) . . . . ?
C19 C14 C15 C16 -2.2(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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 1055919'
_audit_update_record             
;
2015-03-24 deposited with the CCDC.
2015-06-19 downloaded from the CCDC.
;
_audit_creation_date             2015-03-24
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_shelxl_version_number           2014-1
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         
'2(C116 H148 Co4 Dy4 N12 O34), C78 H108 Co2 Dy5 N9 O37'
_chemical_formula_sum            'C310 H404 Co10 Dy13 N33 O105'
_chemical_formula_weight         8974.44
_chemical_melting_point          ?
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'
Co Co 0.3494 0.9721 '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 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.7063(10)
_cell_length_b                   25.9590(18)
_cell_length_c                   32.551(2)
_cell_angle_alpha                73.030(2)
_cell_angle_beta                 88.444(3)
_cell_angle_gamma                89.026(3)
_cell_volume                     11072.7(14)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    ?
_cell_measurement_temperature    100
_cell_measurement_theta_max      ?
_cell_measurement_theta_min      ?
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.594
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.459
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34i (release 04-08-2014 CrysAlis171 .NET)
(compiled Aug  4 2014,14:34:23)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.346
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             4463
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.01
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1105
_diffrn_reflns_av_unetI/netI     0.1045
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            156032
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         2.148
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                27561
_reflns_number_total             44922
_reflns_special_details          
;
 Data were apparently pre-merged, so _diffrn_reflns_number
 etc. will have to be added later.
 
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         2.661
_refine_diff_density_min         -2.277
_refine_diff_density_rms         0.180
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.923
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2116
_refine_ls_number_reflns         44922
_refine_ls_number_restraints     58
_refine_ls_R_factor_all          0.1111
_refine_ls_R_factor_gt           0.0760
_refine_ls_restrained_S_all      0.924
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1280P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1931
_refine_ls_wR_factor_ref         0.2120
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All O(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 N14-C131
 1.46 with sigma of 0.02
 N14-C12
 1.46 with sigma of 0.02
 C145-C143
 1.53 with sigma of 0.02
 C1F-C143
 1.53 with sigma of 0.02
3. Rigid bond restraints
 C145
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
C145: within 1.7A with sigma of 0.04 and sigma for terminal atoms of 0.08
5. Rigid body (RIGU) restrains
 C49, C50, C51, C52
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C45, C46, C47
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C144, C145, C146
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C148, C149, C150, C151
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C49, C50, C51, C52
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C45, C46, C47, C54, C56, C57, C58
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C145
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Others
 Fixed Sof: C1F(0.5) H1FA(0.5) H1FB(0.5) H1FC(0.5) Dy7(0.5) O45(0.5) O46(0.5)
 O47(0.5) N17(0.5) C12(0.5) C1E(0.5) H1E(0.5) C1D(0.5) H1D(0.5) C1C(0.5)
 H1CA(0.5) C1B(0.5) H1BB(0.5) C1A(0.5) H1AA(0.5) C134(0.5) H134(0.5) C135(0.5)
 H135(0.5) C136(0.5) H136(0.5) C131(0.5) C132(0.5) H132(0.5) C133(0.5)
 H133(0.5) C145(0.5) H14J(0.5) H14K(0.5) H14L(0.5)
7.a Ternary CH refined with riding coordinates:
 O1BA(H1BA), O76(H76), O6AA(H6AA), O104(H104)
7.b Me refined with riding coordinates:
 C59(H59A,H59B,H59C), C69(H69A,H69B,H69C), C70(H70A,H70B,H70C), C88(H88A,H88B,
 H88C), C99(H99A,H99B,H99C), C100(H10A,H10B,H10C), C101(H10D,H10E,H10F),
 C104(H10G,H10H,H10I), C105(H10J,H10K,H10L), C106(H10M,H10N,H10O), C109(H10P,
 H10Q,H10R), C110(H11A,H11B,H11C), C111(H11D,H11E,H11F), C114(H11G,H11H,H11I),
 C115(H11J,H11K,H11L), C116(H11M,H11N,H11O), C1(H1A,H1B,H1C), C11(H11P,H11Q,
 H11R), C20(H20A,H20B,H20C), C30(H30A,H30B,H30C), C31(H31A,H31B,H31C), C40(H40A,
 H40B,H40C), C41(H41A,H41B,H41C), C42(H42A,H42B,H42C), C45(H45A,H45B,H45C),
 C46(H46A,H46B,H46C), C47(H47A,H47B,H47C), C50(H50A,H50B,H50C), C51(H51A,H51B,
 H51C), C52(H52A,H52B,H52C), C57(H57A,H57B,H57C), C157(H15A,H15B,H15C),
 C1F(H1FA,H1FB,H1FC), C118(H11S,H11T,H11U), C128(H12A,H12B,H12C), C129(H12D,
 H12E,H12F), C139(H13A,H13B,H13C), C140(H14A,H14B,H14C), C141(H14D,H14E,H14F),
 C144(H14G,H14H,H14I), C145(H14J,H14K,H14L), C146(H14M,H14N,H14O), C149(H14P,
 H14Q,H14R), C150(H15D,H15E,H15F), C151(H15G,H15H,H15I), C154(H15J,H15K,H15L),
 C155(H15M,H15N,H15O), C156(H15P,H15Q,H15R)
7.c Aromatic/amide H refined with riding coordinates:
 C61(H61), C62(H62), C63(H63), C66(H66), C73(H73), C74(H74), C75(H75),
 C76(H76A), C77(H77), C80(H80), C81(H81), C82(H82), C85(H85), C92(H92),
 C93(H93), C94(H94), C95(H95), C96(H96), C3(H3), C4(H4), C4BA(H4BA), C5(H5),
 C8(H8), C15(H15), C16(H16), C17(H17), C18(H18), C19(H19), C22(H22), C23(H23),
 C24(H24), C27(H27), C34(H34), C35(H35), C36(H36), C37(H37), C1E(H1E), C1D(H1D),
  C1C(H1CA), C1B(H1BB), C1A(H1AA), C120(H120), C121(H121), C122(H122),
 C125(H125), C134(H134), C135(H135), C136(H136), C132(H132), C133(H133)
7.d Fitted hexagon refined as free rotating group:
 C12(C1E,C1D,C1C,C1B,C1A), C134(C135,C136,C131,C132,C133)
7.e Idealised Me refined as rotating group:
 C78(H78A,H78B,H78C), C89(H89A,H89B,H89C), C56(H56A,H56B,H56C), C58(H58A,H58B,
 H58C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
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
Dy3 Dy -0.47607(3) 0.09577(2) 0.43271(2) 0.04030(10) Uani 1 1 d . . . . .
Dy4 Dy -0.50198(3) -0.05482(2) 0.43344(2) 0.04003(10) Uani 1 1 d . . . . .
Co3 Co -0.34902(8) 0.04326(4) 0.36194(3) 0.0418(2) Uani 1 1 d . . . . .
Co4 Co -0.58445(8) 0.05131(4) 0.34966(3) 0.0425(3) Uani 1 1 d . . . . .
O1BA O -0.3908(4) 0.0177(2) 0.42549(16) 0.0429(12) Uani 1 1 d . . . . .
H1BA H -0.3341 0.0075 0.4450 0.051 Uiso 1 1 calc R . . . .
O16 O -0.4152(4) -0.1042(2) 0.38643(17) 0.0477(13) Uani 1 1 d . . . . .
O17 O -0.4749(4) -0.0073(2) 0.35611(16) 0.0417(12) Uani 1 1 d . . . . .
O18 O -0.6776(4) 0.1210(2) 0.33265(18) 0.0539(15) Uani 1 1 d . . . . .
O19 O -0.5414(4) 0.1782(2) 0.37711(17) 0.0479(13) Uani 1 1 d . . . . .
O20 O -0.4575(4) 0.1006(2) 0.35598(16) 0.0405(12) Uani 1 1 d . . . . .
O21 O -0.2521(4) -0.0196(2) 0.35714(17) 0.0466(13) Uani 1 1 d . . . . .
O22 O -0.4650(4) 0.1452(2) 0.53359(17) 0.0493(14) Uani 1 1 d . . . . .
O23 O -0.4688(5) 0.1660(2) 0.46254(18) 0.0523(14) Uani 1 1 d . . . . .
O24 O -0.6385(5) 0.0998(3) 0.45896(19) 0.0559(15) Uani 1 1 d . . . . .
O25 O -0.3531(4) -0.0865(2) 0.47019(17) 0.0453(13) Uani 1 1 d . . . . .
O26 O -0.6482(5) -0.0693(2) 0.40316(18) 0.0520(15) Uani 1 1 d . . . . .
O27 O -0.6989(4) 0.0020(2) 0.35102(18) 0.0502(14) Uani 1 1 d . . . . .
O28 O -0.2361(4) 0.0875(2) 0.37318(19) 0.0537(15) Uani 1 1 d . . . . .
O29 O -0.3197(4) 0.1302(2) 0.41380(18) 0.0482(13) Uani 1 1 d . . . . .
O30 O -0.4452(4) 0.0486(2) 0.50165(16) 0.0468(13) Uani 1 1 d . . . . .
O76 O -0.5791(4) 0.0330(2) 0.41526(16) 0.0426(12) Uani 1 1 d . . . . .
H76 H -0.6455 0.0320 0.4289 0.051 Uiso 1 1 calc R . . . .
N7 N -0.3189(5) 0.0732(3) 0.2958(2) 0.0445(16) Uani 1 1 d . . . . .
N8 N -0.1659(5) -0.0395(3) 0.3017(2) 0.0519(18) Uani 1 1 d . . . . .
N9 N -0.1637(6) -0.0183(3) 0.2560(2) 0.0548(19) Uani 1 1 d . . . . .
N10 N -0.5668(5) 0.0695(3) 0.2824(2) 0.0464(16) Uani 1 1 d . . . . .
N11 N -0.7183(6) 0.1852(3) 0.2687(2) 0.064(2) Uani 1 1 d . . . . .
N12 N -0.6848(7) 0.1955(4) 0.2258(2) 0.076(3) Uani 1 1 d . . . . .
C59 C -0.3588(6) -0.1544(3) 0.4041(3) 0.054(2) Uani 1 1 d . . . . .
H59A H -0.3966 -0.1851 0.4018 0.081 Uiso 1 1 calc R . . . .
H59B H -0.3453 -0.1589 0.4343 0.081 Uiso 1 1 calc R . . . .
H59C H -0.2971 -0.1526 0.3878 0.081 Uiso 1 1 calc R . . . .
C60 C -0.4244(6) -0.0872(3) 0.3423(3) 0.048(2) Uani 1 1 d . . . . .
C61 C -0.3997(6) -0.1170(4) 0.3147(3) 0.049(2) Uani 1 1 d . . . . .
H61 H -0.3741 -0.1524 0.3258 0.058 Uiso 1 1 calc R . . . .
C62 C -0.4121(7) -0.0952(4) 0.2710(3) 0.059(2) Uani 1 1 d . . . . .
H62 H -0.3931 -0.1152 0.2518 0.070 Uiso 1 1 calc R . . . .
C63 C -0.4520(7) -0.0450(4) 0.2557(3) 0.060(2) Uani 1 1 d . . . . .
H63 H -0.4619 -0.0308 0.2257 0.072 Uiso 1 1 calc R . . . .
C64 C -0.4789(6) -0.0135(4) 0.2826(3) 0.052(2) Uani 1 1 d . . . . .
C65 C -0.4614(6) -0.0347(3) 0.3273(3) 0.047(2) Uani 1 1 d . . . . .
C66 C -0.5258(6) 0.0397(4) 0.2618(3) 0.049(2) Uani 1 1 d . . . . .
H66 H -0.5251 0.0522 0.2313 0.059 Uiso 1 1 calc R . . . .
C67 C -0.6201(7) 0.1165(4) 0.2637(3) 0.054(2) Uani 1 1 d . . . . .
C68 C -0.6273(8) 0.1525(4) 0.2227(3) 0.062(3) Uani 1 1 d . . . . .
C69 C -0.5840(11) 0.1492(5) 0.1811(3) 0.092(4) Uani 1 1 d . . . . .
H69A H -0.5879 0.1846 0.1597 0.139 Uiso 1 1 calc R . . . .
H69B H -0.6201 0.1230 0.1712 0.139 Uiso 1 1 calc R . . . .
H69C H -0.5155 0.1378 0.1850 0.139 Uiso 1 1 calc R . . . .
C70 C -0.7511(10) 0.2238(5) 0.1916(3) 0.087(4) Uani 1 1 d . . . . .
H70A H -0.7173 0.2544 0.1717 0.131 Uiso 1 1 calc R . . . .
H70B H -0.8085 0.2369 0.2043 0.131 Uiso 1 1 calc R . . . .
H70C H -0.7719 0.1990 0.1759 0.131 Uiso 1 1 calc R . . . .
C71 C -0.6730(6) 0.1382(3) 0.2926(3) 0.051(2) Uani 1 1 d . . . . .
C72 C -0.7586(7) 0.2265(4) 0.2846(3) 0.064(3) Uani 1 1 d . . . . .
C73 C -0.7322(9) 0.2793(5) 0.2674(4) 0.080(3) Uani 1 1 d . . . . .
H73 H -0.6897 0.2890 0.2428 0.096 Uiso 1 1 calc R . . . .
C74 C -0.7661(10) 0.3188(5) 0.2851(5) 0.095(4) Uani 1 1 d . . . . .
H74 H -0.7444 0.3549 0.2738 0.113 Uiso 1 1 calc R . . . .
C75 C -0.8337(9) 0.3049(6) 0.3201(5) 0.089(4) Uani 1 1 d . . . . .
H75 H -0.8582 0.3315 0.3326 0.107 Uiso 1 1 calc R . . . .
C76 C -0.8647(8) 0.2495(5) 0.3367(4) 0.076(3) Uani 1 1 d . . . . .
H76A H -0.9106 0.2394 0.3600 0.091 Uiso 1 1 calc R . . . .
C77 C -0.8273(7) 0.2115(4) 0.3183(3) 0.067(3) Uani 1 1 d . . . . .
H77 H -0.8482 0.1752 0.3286 0.080 Uiso 1 1 calc R . . . .
C78 C -0.6077(8) 0.2168(4) 0.3868(3) 0.064(3) Uani 1 1 d . . . . .
H78A H -0.6310 0.2032 0.4167 0.096 Uiso 1 1 calc GR . . . .
H78B H -0.6634 0.2224 0.3676 0.096 Uiso 1 1 calc GR . . . .
H78C H -0.5740 0.2510 0.3826 0.096 Uiso 1 1 calc GR . . . .
C79 C -0.4987(6) 0.1918(3) 0.3360(3) 0.048(2) Uani 1 1 d . . . . .
C80 C -0.5061(7) 0.2436(4) 0.3064(3) 0.057(2) Uani 1 1 d . . . . .
H80 H -0.5411 0.2718 0.3135 0.068 Uiso 1 1 calc R . . . .
C81 C -0.4595(7) 0.2520(4) 0.2658(3) 0.060(2) Uani 1 1 d . . . . .
H81 H -0.4647 0.2862 0.2449 0.073 Uiso 1 1 calc R . . . .
C82 C -0.4070(7) 0.2118(4) 0.2563(3) 0.058(2) Uani 1 1 d . . . . .
H82 H -0.3748 0.2188 0.2290 0.070 Uiso 1 1 calc R . . . .
C83 C -0.3992(7) 0.1597(3) 0.2859(3) 0.053(2) Uani 1 1 d . . . . .
C84 C -0.4489(6) 0.1501(3) 0.3257(2) 0.0436(19) Uani 1 1 d . . . . .
C85 C -0.3403(7) 0.1216(3) 0.2724(3) 0.051(2) Uani 1 1 d . . . . .
H85 H -0.3145 0.1325 0.2439 0.061 Uiso 1 1 calc R . . . .
C86 C -0.2542(6) 0.0368(3) 0.2838(2) 0.048(2) Uani 1 1 d . . . . .
C87 C -0.2169(6) 0.0305(4) 0.2468(3) 0.051(2) Uani 1 1 d . . . . .
C88 C -0.2296(9) 0.0641(5) 0.2013(3) 0.076(3) Uani 1 1 d . . . . .
H88A H -0.2036 0.0444 0.1818 0.114 Uiso 1 1 calc R . . . .
H88B H -0.1944 0.0980 0.1962 0.114 Uiso 1 1 calc R . . . .
H88C H -0.2991 0.0718 0.1960 0.114 Uiso 1 1 calc R . . . .
C89 C -0.0651(7) -0.0171(4) 0.2364(3) 0.065(3) Uani 1 1 d . . . . .
H89A H -0.0260 0.0102 0.2435 0.098 Uiso 1 1 calc GR . . . .
H89B H -0.0701 -0.0084 0.2051 0.098 Uiso 1 1 calc GR . . . .
H89C H -0.0337 -0.0525 0.2475 0.098 Uiso 1 1 calc GR . . . .
C90 C -0.2247(6) -0.0089(4) 0.3189(3) 0.048(2) Uani 1 1 d . . . . .
C91 C -0.1390(6) -0.0948(4) 0.3207(3) 0.055(2) Uani 1 1 d . . . . .
C92 C -0.1054(6) -0.1093(4) 0.3620(3) 0.052(2) Uani 1 1 d . . . . .
H92 H -0.0992 -0.0830 0.3767 0.063 Uiso 1 1 calc R . . . .
C93 C -0.0807(7) -0.1623(4) 0.3819(3) 0.061(2) Uani 1 1 d . . . . .
H93 H -0.0574 -0.1723 0.4104 0.073 Uiso 1 1 calc R . . . .
C94 C -0.0899(7) -0.2013(4) 0.3604(4) 0.067(3) Uani 1 1 d . . . . .
H94 H -0.0723 -0.2378 0.3739 0.081 Uiso 1 1 calc R . . . .
C95 C -0.1251(8) -0.1857(4) 0.3193(4) 0.068(3) Uani 1 1 d . . . . .
H95 H -0.1320 -0.2120 0.3046 0.082 Uiso 1 1 calc R . . . .
C96 C -0.1505(7) -0.1330(4) 0.2991(3) 0.057(2) Uani 1 1 d . . . . .
H96 H -0.1755 -0.1230 0.2709 0.068 Uiso 1 1 calc R . . . .
C97 C -0.4525(6) 0.1770(3) 0.4971(3) 0.048(2) Uani 1 1 d . . . . .
C98 C -0.4150(7) 0.2335(3) 0.4930(3) 0.052(2) Uani 1 1 d . . . . .
C99 C -0.3917(11) 0.2647(4) 0.4463(4) 0.093(4) Uani 1 1 d . . . . .
H99A H -0.4521 0.2718 0.4301 0.139 Uiso 1 1 calc R . . . .
H99B H -0.3468 0.2434 0.4337 0.139 Uiso 1 1 calc R . . . .
H99C H -0.3612 0.2990 0.4452 0.139 Uiso 1 1 calc R . . . .
C100 C -0.5005(7) 0.2621(4) 0.5097(4) 0.069(3) Uani 1 1 d . . . . .
H10A H -0.5146 0.2431 0.5399 0.104 Uiso 1 1 calc R . . . .
H10B H -0.5585 0.2620 0.4927 0.104 Uiso 1 1 calc R . . . .
H10C H -0.4825 0.2994 0.5069 0.104 Uiso 1 1 calc R . . . .
C101 C -0.3254(8) 0.2281(4) 0.5212(4) 0.079(3) Uani 1 1 d . . . . .
H10D H -0.2964 0.2637 0.5167 0.119 Uiso 1 1 calc R . . . .
H10E H -0.2773 0.2040 0.5134 0.119 Uiso 1 1 calc R . . . .
H10F H -0.3451 0.2133 0.5515 0.119 Uiso 1 1 calc R . . . .
C102 C -0.3157(6) -0.0907(3) 0.5057(3) 0.0460(19) Uani 1 1 d . . . . .
C103 C -0.2047(7) -0.0817(4) 0.5064(3) 0.061(2) Uani 1 1 d . . . . .
C104 C -0.1620(9) -0.1260(6) 0.5452(4) 0.091(4) Uani 1 1 d . . . . .
H10G H -0.0915 -0.1209 0.5463 0.137 Uiso 1 1 calc R . . . .
H10H H -0.1743 -0.1616 0.5419 0.137 Uiso 1 1 calc R . . . .
H10I H -0.1933 -0.1233 0.5719 0.137 Uiso 1 1 calc R . . . .
C105 C -0.1915(9) -0.0252(6) 0.5109(5) 0.105(5) Uani 1 1 d . . . . .
H10J H -0.1224 -0.0195 0.5150 0.158 Uiso 1 1 calc R . . . .
H10K H -0.2301 -0.0216 0.5357 0.158 Uiso 1 1 calc R . . . .
H10L H -0.2136 0.0017 0.4848 0.158 Uiso 1 1 calc R . . . .
C106 C -0.1543(8) -0.0840(4) 0.4654(3) 0.067(3) Uani 1 1 d . . . . .
H10M H -0.1718 -0.1174 0.4592 0.101 Uiso 1 1 calc R . . . .
H10N H -0.0835 -0.0831 0.4684 0.101 Uiso 1 1 calc R . . . .
H10O H -0.1749 -0.0530 0.4417 0.101 Uiso 1 1 calc R . . . .
C107 C -0.7120(6) -0.0430(3) 0.3777(3) 0.0464(19) Uani 1 1 d . . . . .
C108 C -0.8097(8) -0.0707(4) 0.3783(3) 0.062(3) Uani 1 1 d . . . . .
C109 C -0.8530(8) -0.0852(5) 0.4236(4) 0.079(3) Uani 1 1 d . . . . .
H10P H -0.9110 -0.1073 0.4253 0.119 Uiso 1 1 calc R . . . .
H10Q H -0.8712 -0.0522 0.4308 0.119 Uiso 1 1 calc R . . . .
H10R H -0.8046 -0.1055 0.4438 0.119 Uiso 1 1 calc R . . . .
C110 C -0.7921(10) -0.1227(5) 0.3669(4) 0.089(4) Uani 1 1 d . . . . .
H11A H -0.7735 -0.1144 0.3364 0.133 Uiso 1 1 calc R . . . .
H11B H -0.8519 -0.1440 0.3726 0.133 Uiso 1 1 calc R . . . .
H11C H -0.7395 -0.1432 0.3844 0.133 Uiso 1 1 calc R . . . .
C111 C -0.8766(9) -0.0337(5) 0.3449(5) 0.107(5) Uani 1 1 d . . . . .
H11D H -0.9017 -0.0045 0.3559 0.160 Uiso 1 1 calc R . . . .
H11E H -0.9313 -0.0545 0.3396 0.160 Uiso 1 1 calc R . . . .
H11F H -0.8394 -0.0184 0.3181 0.160 Uiso 1 1 calc R . . . .
C112 C -0.2427(7) 0.1201(4) 0.3952(3) 0.054(2) Uani 1 1 d . . . . .
C113 C -0.1508(8) 0.1498(4) 0.3984(4) 0.077(3) Uani 1 1 d . . . . .
C114 C -0.1433(10) 0.1482(8) 0.4473(5) 0.116(6) Uani 1 1 d . . . . .
H11G H -0.1148 0.1137 0.4636 0.174 Uiso 1 1 calc R . . . .
H11H H -0.2086 0.1523 0.4590 0.174 Uiso 1 1 calc R . . . .
H11I H -0.1018 0.1777 0.4495 0.174 Uiso 1 1 calc R . . . .
C115 C -0.1688(11) 0.2082(5) 0.3683(7) 0.131(7) Uani 1 1 d . . . . .
H11J H -0.1062 0.2243 0.3563 0.197 Uiso 1 1 calc R . . . .
H11K H -0.2005 0.2301 0.3848 0.197 Uiso 1 1 calc R . . . .
H11L H -0.2109 0.2067 0.3448 0.197 Uiso 1 1 calc R . . . .
C116 C -0.0602(7) 0.1241(5) 0.3857(4) 0.073(3) Uani 1 1 d . . . . .
H11M H -0.0024 0.1405 0.3937 0.110 Uiso 1 1 calc R . . . .
H11N H -0.0588 0.1297 0.3546 0.110 Uiso 1 1 calc R . . . .
H11O H -0.0602 0.0854 0.4006 0.110 Uiso 1 1 calc R . . . .
Dy1 Dy 0.00298(3) -0.39578(2) 0.43268(2) 0.05163(12) Uani 1 1 d . . . . .
Dy2 Dy 0.01146(3) -0.54633(2) 0.43340(2) 0.05189(12) Uani 1 1 d . . . . .
Co1 Co 0.14372(9) -0.44935(5) 0.35929(4) 0.0537(3) Uani 1 1 d . . . . .
Co2 Co -0.09237(9) -0.43729(5) 0.35003(4) 0.0538(3) Uani 1 1 d . . . . .
O1 O -0.0655(5) -0.5862(2) 0.3800(2) 0.0665(18) Uani 1 1 d . . . . .
O2 O 0.0303(4) -0.4977(2) 0.3554(2) 0.0540(15) Uani 1 1 d . . . . .
O3 O 0.2452(5) -0.3869(3) 0.3518(2) 0.0614(17) Uani 1 1 d . . . . .
O4 O 0.0922(4) -0.3151(2) 0.3844(2) 0.0560(15) Uani 1 1 d . . . . .
O5 O 0.0238(4) -0.3895(2) 0.35541(19) 0.0493(14) Uani 1 1 d . . . . .
O6 O -0.1931(5) -0.4903(3) 0.3354(2) 0.0628(17) Uani 1 1 d . . . . .
O6AA O 0.1052(4) -0.4665(2) 0.42352(18) 0.0489(14) Uani 1 1 d . . . . .
H6AA H 0.1632 -0.4728 0.4424 0.059 Uiso 1 1 calc R . . . .
O7 O 0.0070(6) -0.6376(2) 0.4636(2) 0.075(2) Uani 1 1 d . . . . .
O8 O -0.0230(5) -0.3275(2) 0.4655(2) 0.0663(18) Uani 1 1 d . . . . .
O9 O -0.1504(5) -0.5611(3) 0.4628(2) 0.071(2) Uani 1 1 d . . . . .
O10 O -0.1532(5) -0.6045(3) 0.5333(2) 0.0659(18) Uani 1 1 d . . . . .
O11 O -0.1396(5) -0.3527(2) 0.4033(2) 0.0647(18) Uani 1 1 d . . . . .
O12 O -0.2006(5) -0.3846(3) 0.3535(3) 0.074(2) Uani 1 1 d . . . . .
O13 O 0.2528(5) -0.5071(3) 0.3718(2) 0.0687(18) Uani 1 1 d . . . . .
O14 O 0.1637(5) -0.5743(3) 0.4138(2) 0.0704(19) Uani 1 1 d . . . . .
O15 O -0.0514(5) -0.4475(2) 0.4975(2) 0.0578(16) Uani 1 1 d . . . . .
O104 O -0.0845(4) -0.4654(2) 0.41599(19) 0.0516(14) Uani 1 1 d . . . . .
H104 H -0.1506 -0.4710 0.4303 0.062 Uiso 1 1 calc R . . . .
N1 N 0.1705(6) -0.4351(3) 0.2935(3) 0.062(2) Uani 1 1 d . . . . .
N2 N 0.3379(6) -0.3336(4) 0.2936(3) 0.072(2) Uani 1 1 d . . . . .
N3 N 0.3370(7) -0.3240(4) 0.2502(3) 0.076(3) Uani 1 1 d . . . . .
N4 N -0.0790(6) -0.4075(3) 0.2838(2) 0.059(2) Uani 1 1 d . . . . .
N5 N -0.2467(8) -0.5038(4) 0.2714(3) 0.097(4) Uani 1 1 d . . . . .
N6 N -0.2175(11) -0.4856(5) 0.2287(4) 0.125(5) Uani 1 1 d . . . . .
C1 C 0.1496(8) -0.2791(4) 0.4003(4) 0.071(3) Uani 1 1 d . . . . .
H1A H 0.1516 -0.2923 0.4317 0.107 Uiso 1 1 calc R . . . .
H1B H 0.1201 -0.2430 0.3917 0.107 Uiso 1 1 calc R . . . .
H1C H 0.2162 -0.2775 0.3882 0.107 Uiso 1 1 calc R . . . .
C2 C 0.0826(7) -0.3011(4) 0.3401(3) 0.058(2) Uani 1 1 d . . . . .
C3 C 0.1130(7) -0.2540(4) 0.3102(3) 0.063(3) Uani 1 1 d . . . . .
H3 H 0.1427 -0.2272 0.3202 0.076 Uiso 1 1 calc R . . . .
C4 C 0.1025(8) -0.2445(4) 0.2677(4) 0.073(3) Uani 1 1 d . . . . .
H4 H 0.1281 -0.2127 0.2481 0.087 Uiso 1 1 calc R . . . .
C4BA C 0.3907(8) -0.3043(5) 0.3532(4) 0.075(3) Uani 1 1 d . . . . .
H4BA H 0.3933 -0.3411 0.3697 0.090 Uiso 1 1 calc R . . . .
C5 C 0.0545(8) -0.2811(4) 0.2528(3) 0.070(3) Uani 1 1 d . . . . .
H5 H 0.0437 -0.2734 0.2229 0.084 Uiso 1 1 calc R . . . .
C6 C 0.0209(7) -0.3302(4) 0.2812(3) 0.059(2) Uani 1 1 d . . . . .
C7 C 0.0418(7) -0.3419(3) 0.3255(3) 0.053(2) Uani 1 1 d . . . . .
C8 C -0.0345(9) -0.3644(4) 0.2617(3) 0.074(3) Uani 1 1 d . . . . .
H8 H -0.0380 -0.3543 0.2312 0.089 Uiso 1 1 calc R . . . .
C9 C -0.1399(9) -0.4381(5) 0.2655(4) 0.082(3) Uani 1 1 d . . . . .
C10 C -0.1565(13) -0.4420(6) 0.2256(4) 0.117(6) Uani 1 1 d . . . . .
C11 C -0.1177(16) -0.4107(7) 0.1821(5) 0.153(8) Uani 1 1 d . . . . .
H11P H -0.1466 -0.4242 0.1601 0.230 Uiso 1 1 calc R . . . .
H11Q H -0.0466 -0.4149 0.1810 0.230 Uiso 1 1 calc R . . . .
H11R H -0.1346 -0.3725 0.1768 0.230 Uiso 1 1 calc R . . . .
C13 C -0.1960(8) -0.4785(4) 0.2954(4) 0.073(3) Uani 1 1 d . . . . .
C14 C -0.2880(10) -0.5571(6) 0.2883(4) 0.090(4) Uani 1 1 d . . . . .
C15 C -0.2590(11) -0.5989(6) 0.2701(5) 0.098(4) Uani 1 1 d . . . . .
H15 H -0.2159 -0.5925 0.2458 0.117 Uiso 1 1 calc R . . . .
C16 C -0.2965(11) -0.6486(6) 0.2893(5) 0.102(4) Uani 1 1 d . . . . .
H16 H -0.2817 -0.6766 0.2767 0.122 Uiso 1 1 calc R . . . .
C17 C -0.3540(10) -0.6605(6) 0.3255(5) 0.104(5) Uani 1 1 d . . . . .
H17 H -0.3741 -0.6965 0.3387 0.124 Uiso 1 1 calc R . . . .
C18 C -0.3826(10) -0.6205(5) 0.3428(5) 0.095(4) Uani 1 1 d . . . . .
H18 H -0.4251 -0.6284 0.3674 0.114 Uiso 1 1 calc R . . . .
C19 C -0.3493(9) -0.5682(5) 0.3244(5) 0.088(4) Uani 1 1 d . . . . .
H19 H -0.3686 -0.5403 0.3364 0.106 Uiso 1 1 calc R . . . .
C20 C -0.1382(8) -0.6280(5) 0.3908(4) 0.084(4) Uani 1 1 d . . . . .
H20A H -0.1612 -0.6338 0.4205 0.126 Uiso 1 1 calc R . . . .
H20B H -0.1094 -0.6615 0.3876 0.126 Uiso 1 1 calc R . . . .
H20C H -0.1933 -0.6172 0.3714 0.126 Uiso 1 1 calc R . . . .
C21 C -0.0264(8) -0.5737(4) 0.3376(3) 0.064(3) Uani 1 1 d . . . . .
C22 C -0.0378(9) -0.6047(4) 0.3106(4) 0.077(3) Uani 1 1 d . . . . .
H22 H -0.0739 -0.6372 0.3197 0.092 Uiso 1 1 calc R . . . .
C23 C 0.0041(12) -0.5880(6) 0.2696(5) 0.108(5) Uani 1 1 d . . . . .
H23 H -0.0079 -0.6078 0.2500 0.129 Uiso 1 1 calc R . . . .
C24 C 0.0633(12) -0.5428(6) 0.2565(5) 0.100(4) Uani 1 1 d . . . . .
H24 H 0.0951 -0.5331 0.2291 0.120 Uiso 1 1 calc R . . . .
C25 C 0.0751(9) -0.5105(5) 0.2868(4) 0.076(3) Uani 1 1 d . . . . .
C26 C 0.0285(7) -0.5263(4) 0.3265(3) 0.058(2) Uani 1 1 d . . . . .
C27 C 0.1432(9) -0.4647(5) 0.2696(4) 0.076(3) Uani 1 1 d . . . . .
H27 H 0.1672 -0.4569 0.2408 0.091 Uiso 1 1 calc R . . . .
C28 C 0.2388(8) -0.3931(5) 0.2794(4) 0.072(3) Uani 1 1 d . . . . .
C29 C 0.2824(9) -0.3636(5) 0.2409(3) 0.082(3) Uani 1 1 d . . . . .
C30 C 0.2707(11) -0.3666(6) 0.1978(4) 0.100(4) Uani 1 1 d . . . . .
H30A H 0.2294 -0.3974 0.1986 0.150 Uiso 1 1 calc R . . . .
H30B H 0.3348 -0.3713 0.1852 0.150 Uiso 1 1 calc R . . . .
H30C H 0.2399 -0.3334 0.1804 0.150 Uiso 1 1 calc R . . . .
C31 C 0.4303(8) -0.3074(6) 0.2254(4) 0.099(5) Uani 1 1 d . . . . .
H31A H 0.4196 -0.3023 0.1948 0.149 Uiso 1 1 calc R . . . .
H31B H 0.4801 -0.3354 0.2357 0.149 Uiso 1 1 calc R . . . .
H31C H 0.4524 -0.2735 0.2295 0.149 Uiso 1 1 calc R . . . .
C32 C 0.2703(7) -0.3735(4) 0.3114(4) 0.068(3) Uani 1 1 d . . . . .
C33 C 0.3644(7) -0.2912(4) 0.3117(4) 0.068(3) Uani 1 1 d . . . . .
C34 C 0.3587(8) -0.2370(5) 0.2871(4) 0.083(4) Uani 1 1 d . . . . .
H34 H 0.3367 -0.2270 0.2584 0.100 Uiso 1 1 calc R . . . .
C35 C 0.3871(9) -0.1978(5) 0.3067(5) 0.105(5) Uani 1 1 d . . . . .
H35 H 0.3884 -0.1609 0.2905 0.126 Uiso 1 1 calc R . . . .
C36 C 0.4120(8) -0.2123(5) 0.3479(4) 0.078(3) Uani 1 1 d . . . . .
H36 H 0.4289 -0.1854 0.3608 0.094 Uiso 1 1 calc R . . . .
C37 C 0.4135(9) -0.2652(6) 0.3717(4) 0.089(4) Uani 1 1 d . . . . .
H37 H 0.4303 -0.2748 0.4011 0.106 Uiso 1 1 calc R . . . .
C38 C 0.0275(8) -0.6755(4) 0.4972(4) 0.068(3) Uani 1 1 d . . . . .
C39 C 0.0608(10) -0.7301(3) 0.4899(3) 0.073(3) Uani 1 1 d . . . . .
C40 C 0.0754(14) -0.7234(6) 0.4410(4) 0.124(6) Uani 1 1 d . . . . .
H40A H 0.1278 -0.6977 0.4293 0.186 Uiso 1 1 calc R . . . .
H40B H 0.0147 -0.7099 0.4262 0.186 Uiso 1 1 calc R . . . .
H40C H 0.0928 -0.7583 0.4368 0.186 Uiso 1 1 calc R . . . .
C41 C 0.1550(9) -0.7470(4) 0.5134(3) 0.073(3) Uani 1 1 d . . . . .
H41A H 0.2055 -0.7203 0.5009 0.109 Uiso 1 1 calc R . . . .
H41B H 0.1759 -0.7822 0.5108 0.109 Uiso 1 1 calc R . . . .
H41C H 0.1447 -0.7494 0.5438 0.109 Uiso 1 1 calc R . . . .
C42 C -0.0174(9) -0.7683(4) 0.5073(4) 0.088(4) Uani 1 1 d . . . . .
H42A H -0.0769 -0.7561 0.4910 0.132 Uiso 1 1 calc R . . . .
H42B H -0.0298 -0.7706 0.5375 0.132 Uiso 1 1 calc R . . . .
H42C H 0.0019 -0.8038 0.5049 0.132 Uiso 1 1 calc R . . . .
C43 C -0.1927(7) -0.5801(4) 0.4981(4) 0.064(3) Uani 1 1 d . . . . .
C44 C -0.3070(8) -0.5694(4) 0.5009(4) 0.076(3) Uani 1 1 d . . . . .
C45 C -0.3459(12) -0.5660(15) 0.4588(6) 0.26(2) Uani 1 1 d . U . . .
H45A H -0.3334 -0.6001 0.4522 0.388 Uiso 1 1 calc R . . . .
H45B H -0.3139 -0.5366 0.4369 0.388 Uiso 1 1 calc R . . . .
H45C H -0.4163 -0.5591 0.4591 0.388 Uiso 1 1 calc R . . . .
C46 C -0.3225(13) -0.5202(10) 0.5073(13) 0.28(2) Uani 1 1 d . U . . .
H46A H -0.2869 -0.4927 0.4851 0.420 Uiso 1 1 calc R . . . .
H46B H -0.2991 -0.5210 0.5357 0.420 Uiso 1 1 calc R . . . .
H46C H -0.3924 -0.5115 0.5058 0.420 Uiso 1 1 calc R . . . .
C47 C -0.3514(12) -0.6163(7) 0.5303(8) 0.171(10) Uani 1 1 d . U . . .
H47A H -0.3350 -0.6481 0.5210 0.256 Uiso 1 1 calc R . . . .
H47B H -0.4224 -0.6113 0.5306 0.256 Uiso 1 1 calc R . . . .
H47C H -0.3268 -0.6213 0.5592 0.256 Uiso 1 1 calc R . . . .
C48 C 0.2419(9) -0.5528(5) 0.3953(4) 0.073(3) Uani 1 1 d . . . . .
C49 C 0.3385(13) -0.5858(8) 0.4005(10) 0.172(7) Uani 1 1 d . U . . .
C50 C 0.4211(12) -0.5560(8) 0.4025(8) 0.160(7) Uani 1 1 d . U . . .
H50A H 0.4019 -0.5247 0.4120 0.240 Uiso 1 1 calc R . . . .
H50B H 0.4527 -0.5438 0.3740 0.240 Uiso 1 1 calc R . . . .
H50C H 0.4668 -0.5786 0.4229 0.240 Uiso 1 1 calc R . . . .
C51 C 0.3324(17) -0.6120(9) 0.4585(10) 0.202(8) Uani 1 1 d . U . . .
H51A H 0.3372 -0.5823 0.4712 0.304 Uiso 1 1 calc R . . . .
H51B H 0.3864 -0.6375 0.4683 0.304 Uiso 1 1 calc R . . . .
H51C H 0.2702 -0.6306 0.4675 0.304 Uiso 1 1 calc R . . . .
C52 C 0.3338(15) -0.6324(9) 0.3921(11) 0.208(9) Uani 1 1 d . U . . .
H52A H 0.2659 -0.6443 0.3948 0.311 Uiso 1 1 calc R . . . .
H52B H 0.3736 -0.6593 0.4125 0.311 Uiso 1 1 calc R . . . .
H52C H 0.3585 -0.6283 0.3628 0.311 Uiso 1 1 calc R . . . .
C53 C -0.2110(8) -0.3596(4) 0.3786(5) 0.080(4) Uani 1 1 d . . . . .
C54 C -0.3113(10) -0.3395(6) 0.3893(7) 0.125(5) Uani 1 1 d . U . . .
C56 C -0.3147(10) -0.2936(6) 0.4014(6) 0.122(5) Uani 1 1 d . U . . .
H56A H -0.2868 -0.3006 0.4300 0.183 Uiso 1 1 calc GR . . . .
H56B H -0.3827 -0.2816 0.4024 0.183 Uiso 1 1 calc GR . . . .
H56C H -0.2771 -0.2654 0.3807 0.183 Uiso 1 1 calc GR . . . .
C57 C -0.3845(9) -0.3783(5) 0.3939(5) 0.091(4) Uani 1 1 d . U . . .
H57A H -0.3594 -0.4078 0.3833 0.136 Uiso 1 1 calc R . . . .
H57B H -0.4413 -0.3617 0.3773 0.136 Uiso 1 1 calc R . . . .
H57C H -0.4037 -0.3925 0.4243 0.136 Uiso 1 1 calc R . . . .
C58 C -0.3394(15) -0.2979(7) 0.3328(7) 0.157(6) Uani 1 1 d . U . . .
H58A H -0.3979 -0.2759 0.3333 0.235 Uiso 1 1 calc GR . . . .
H58B H -0.3507 -0.3219 0.3151 0.235 Uiso 1 1 calc GR . . . .
H58C H -0.2841 -0.2744 0.3207 0.235 Uiso 1 1 calc GR . . . .
C157 C -0.3008(16) -0.4815(8) 0.1978(5) 0.178(11) Uani 1 1 d . . . . .
H15A H -0.2760 -0.4673 0.1682 0.268 Uiso 1 1 calc R . . . .
H15B H -0.3516 -0.4572 0.2034 0.268 Uiso 1 1 calc R . . . .
H15C H -0.3284 -0.5173 0.2019 0.268 Uiso 1 1 calc R . . . .
Dy5 Dy 0.03568(4) 0.02253(2) 0.10342(2) 0.06137(14) Uani 1 1 d . . . . .
Dy6 Dy -0.13932(3) 0.10086(2) -0.08363(2) 0.05670(13) Uani 1 1 d . . . . .
C1F_b C 0.307(3) -0.0003(12) 0.1900(16) 0.178(18) Uiso 0.5 1 d D . P A 2
H1FA_b H 0.2581 0.0286 0.1853 0.266 Uiso 0.5 1 calc R . P A 2
H1FB_b H 0.3475 0.0046 0.1638 0.266 Uiso 0.5 1 calc R . P A 2
H1FC_b H 0.3485 0.0007 0.2138 0.266 Uiso 0.5 1 calc R . P A 2
Dy7 Dy 0.04086(6) 0.01249(4) -0.00741(2) 0.0534(2) Uani 0.5 1 d . . P B -1
Co5 Co -0.07160(10) 0.11913(6) 0.01314(4) 0.0606(3) Uani 1 1 d . . . . .
O31 O -0.3155(5) 0.0628(3) -0.0547(2) 0.072(2) Uani 1 1 d . . . . .
O32 O -0.1929(5) 0.1068(3) -0.0175(2) 0.0677(18) Uani 1 1 d . . . . .
O33 O -0.0409(6) 0.0829(3) 0.13243(19) 0.0710(19) Uani 1 1 d . . . . .
O34 O 0.0611(5) 0.1105(3) 0.04843(19) 0.0672(19) Uani 1 1 d . . . . .
O35 O 0.1710(5) 0.0835(3) 0.0977(2) 0.078(2) Uani 1 1 d . . . . .
O36 O -0.0823(6) 0.1855(3) -0.0866(2) 0.078(2) Uani 1 1 d . . . . .
O37 O -0.0507(6) 0.1972(3) -0.0219(2) 0.079(2) Uani 1 1 d . . . . .
O38 O -0.1065(5) -0.0284(3) 0.1415(2) 0.0637(17) Uani 1 1 d . . . . .
O39 O 0.0008(5) -0.0763(3) 0.11721(17) 0.0582(16) Uani 1 1 d . . . . .
O40 O 0.1064(6) -0.0143(4) 0.1699(3) 0.082(2) Uani 1 1 d . . . . .
O41 O 0.1963(6) -0.0534(4) 0.1306(2) 0.090(3) Uani 1 1 d . . . . .
O42 O 0.1160(7) -0.0074(3) 0.0511(2) 0.093(3) Uani 1 1 d . . . . .
O43 O -0.0075(6) 0.0875(5) -0.0339(2) 0.106(3) Uani 1 1 d . . . . .
O45 O 0.1962(8) 0.0480(5) -0.0445(4) 0.050(3) Uani 0.5 1 d . . P . .
O46 O 0.3324(6) 0.0858(5) -0.0573(3) 0.046(3) Uani 0.5 1 d . . P . .
O47 O 0.2758(9) 0.0549(5) 0.0072(3) 0.060(3) Uani 0.5 1 d . . P . .
O48 O -0.2766(5) 0.1634(3) -0.1099(2) 0.0713(19) Uani 1 1 d . . . . .
O49 O -0.2831(6) 0.2238(4) -0.1739(2) 0.090(3) Uani 1 1 d . . . . .
O50 O -0.1610(6) 0.1668(3) -0.15790(19) 0.0688(19) Uani 1 1 d . . . . .
N13 N -0.1611(7) 0.1461(4) 0.0565(3) 0.069(2) Uani 1 1 d . . . . .
N14 N -0.0282(7) 0.1672(4) 0.1436(2) 0.076(3) Uani 1 1 d D . . . .
N15 N -0.0681(9) 0.2165(5) 0.1272(3) 0.098(3) Uani 1 1 d . . . . .
N16 N -0.2406(7) 0.1859(4) -0.1481(3) 0.068(2) Uani 1 1 d . . . . .
N17 N 0.2686(9) 0.0611(5) -0.0328(4) 0.040(3) Uani 0.5 1 d . . P B .
C12_b C 0.0189(13) 0.1471(7) 0.1858(4) 0.079(7) Uiso 0.5 1 d D . P C 2
C1E_b C -0.0254(12) 0.1661(7) 0.2175(6) 0.089(7) Uiso 0.5 1 d G . P C 2
H1E_b H -0.0793 0.1904 0.2107 0.107 Uiso 0.5 1 calc R . P C 2
C1D_b C 0.0090(15) 0.1496(8) 0.2591(5) 0.112(10) Uiso 0.5 1 d G . P C 2
H1D_b H -0.0213 0.1626 0.2808 0.134 Uiso 0.5 1 calc R . P C 2
C1C_b C 0.0877(16) 0.1140(9) 0.2690(4) 0.117(10) Uiso 0.5 1 d G . P C 2
H1CA_b H 0.1113 0.1027 0.2975 0.140 Uiso 0.5 1 calc R . P C 2
C1B_b C 0.1320(14) 0.0950(8) 0.2373(5) 0.116(10) Uiso 0.5 1 d G . P C 2
H1BB_b H 0.1859 0.0707 0.2441 0.139 Uiso 0.5 1 calc R . P C 2
C1A_b C 0.0976(13) 0.1115(7) 0.1957(5) 0.063(5) Uiso 0.5 1 d G . P C 2
H1AA_b H 0.1279 0.0985 0.1740 0.076 Uiso 0.5 1 calc R . P C 2
C118 C -0.3827(9) 0.0324(6) -0.0724(4) 0.093(4) Uani 1 1 d . . . . .
H11S H -0.4102 0.0028 -0.0491 0.139 Uiso 1 1 calc R . . . .
H11T H -0.3476 0.0177 -0.0931 0.139 Uiso 1 1 calc R . . . .
H11U H -0.4355 0.0562 -0.0867 0.139 Uiso 1 1 calc R . . . .
C119 C -0.3590(7) 0.0867(5) -0.0256(3) 0.069(3) Uani 1 1 d . . . . .
C120 C -0.4542(8) 0.0897(6) -0.0161(4) 0.098(5) Uani 1 1 d . . . . .
H120 H -0.5001 0.0750 -0.0308 0.117 Uiso 1 1 calc R . . . .
C121 C -0.4884(10) 0.1142(7) 0.0153(5) 0.110(5) Uani 1 1 d . . . . .
H121 H -0.5563 0.1177 0.0206 0.132 Uiso 1 1 calc R . . . .
C122 C -0.4215(9) 0.1326(6) 0.0374(4) 0.093(4) Uani 1 1 d . . . . .
H122 H -0.4433 0.1464 0.0601 0.111 Uiso 1 1 calc R . . . .
C123 C -0.3189(9) 0.1319(5) 0.0276(3) 0.076(3) Uani 1 1 d . . . . .
C124 C -0.2872(7) 0.1102(5) -0.0045(3) 0.067(3) Uani 1 1 d . . . . .
C125 C -0.2547(10) 0.1491(5) 0.0544(3) 0.078(3) Uani 1 1 d . . . . .
H125 H -0.2859 0.1654 0.0739 0.093 Uiso 1 1 calc R . . . .
C126 C -0.1144(8) 0.1667(5) 0.0876(3) 0.069(3) Uani 1 1 d . . . . .
C127 C -0.1160(10) 0.2173(5) 0.0915(4) 0.086(4) Uani 1 1 d . . . . .
C128 C -0.1618(12) 0.2677(6) 0.0605(4) 0.109(5) Uani 1 1 d . . . . .
H12A H -0.1524 0.2988 0.0713 0.163 Uiso 1 1 calc R . . . .
H12B H -0.2318 0.2621 0.0584 0.163 Uiso 1 1 calc R . . . .
H12C H -0.1305 0.2746 0.0320 0.163 Uiso 1 1 calc R . . . .
C129 C -0.0159(15) 0.2652(6) 0.1339(5) 0.134(6) Uani 1 1 d . . . . .
H12D H -0.0525 0.2982 0.1200 0.201 Uiso 1 1 calc R . . . .
H12E H 0.0501 0.2675 0.1212 0.201 Uiso 1 1 calc R . . . .
H12F H -0.0120 0.2610 0.1647 0.201 Uiso 1 1 calc R . . . .
C130 C -0.0590(9) 0.1343(5) 0.1212(3) 0.070(3) Uani 1 1 d . . . . .
C134_a C 0.0316(12) 0.1126(6) 0.2749(3) 0.071(6) Uiso 0.5 1 d . . P C 1
H134_a H 0.0485 0.0993 0.3043 0.086 Uiso 0.5 1 calc R . P C 1
C135_a C 0.0904(10) 0.1004(6) 0.2434(4) 0.074(6) Uiso 0.5 1 d G . P C 1
H135_a H 0.1473 0.0788 0.2513 0.089 Uiso 0.5 1 calc R . P C 1
C136_a C 0.0657(12) 0.1199(7) 0.2005(4) 0.067(6) Uiso 0.5 1 d G . P C 1
H136_a H 0.1058 0.1115 0.1790 0.081 Uiso 0.5 1 calc R . P C 1
C131_a C -0.0176(13) 0.1515(7) 0.1890(3) 0.069(6) Uiso 0.5 1 d DG . P C 1
C132_a C -0.0764(11) 0.1637(6) 0.2204(5) 0.087(7) Uiso 0.5 1 d G . P C 1
H132_a H -0.1333 0.1853 0.2126 0.105 Uiso 0.5 1 calc R . P C 1
C133_a C -0.0517(12) 0.1442(7) 0.2634(4) 0.089(7) Uiso 0.5 1 d G . P C 1
H133_a H -0.0918 0.1526 0.2849 0.107 Uiso 0.5 1 calc R . P C 1
C137 C 0.1393(8) 0.1184(5) 0.0651(3) 0.070(3) Uani 1 1 d . . . . .
C138 C 0.1935(8) 0.1721(5) 0.0448(3) 0.072(3) Uani 1 1 d . . . . .
C139 C 0.2155(11) 0.1800(6) -0.0025(4) 0.101(5) Uani 1 1 d . . . . .
H13A H 0.2581 0.1506 -0.0058 0.152 Uiso 1 1 calc R . . . .
H13B H 0.2483 0.2145 -0.0148 0.152 Uiso 1 1 calc R . . . .
H13C H 0.1544 0.1798 -0.0174 0.152 Uiso 1 1 calc R . . . .
C140 C 0.1290(10) 0.2163(6) 0.0518(5) 0.113(5) Uani 1 1 d . . . . .
H14A H 0.1165 0.2099 0.0827 0.169 Uiso 1 1 calc R . . . .
H14B H 0.0671 0.2168 0.0374 0.169 Uiso 1 1 calc R . . . .
H14C H 0.1615 0.2510 0.0400 0.169 Uiso 1 1 calc R . . . .
C141 C 0.2907(9) 0.1686(6) 0.0699(4) 0.097(4) Uani 1 1 d . . . . .
H14D H 0.3327 0.1401 0.0647 0.146 Uiso 1 1 calc R . . . .
H14E H 0.2757 0.1604 0.1007 0.146 Uiso 1 1 calc R . . . .
H14F H 0.3246 0.2031 0.0599 0.146 Uiso 1 1 calc R . . . .
C142 C 0.1801(10) -0.0405(5) 0.1650(3) 0.071(3) Uani 1 1 d . . . . .
C143 C 0.2544(8) -0.0566(4) 0.2012(4) 0.071(3) Uani 1 1 d D . . . .
C144 C 0.3416(10) -0.0845(6) 0.1923(4) 0.098(4) Uani 1 1 d . U . . .
H14G H 0.3837 -0.0931 0.2174 0.147 Uiso 1 1 calc R . . . .
H14H H 0.3769 -0.0613 0.1674 0.147 Uiso 1 1 calc R . . . .
H14I H 0.3230 -0.1178 0.1863 0.147 Uiso 1 1 calc R . . . .
C145_a C 0.2685(15) -0.0113(7) 0.2212(6) 0.063(5) Uiso 0.5 1 d D U P A 1
H14J_a H 0.2047 0.0016 0.2287 0.094 Uiso 0.5 1 calc R . P A 1
H14K_a H 0.3030 0.0184 0.2007 0.094 Uiso 0.5 1 calc R . P A 1
H14L_a H 0.3069 -0.0245 0.2473 0.094 Uiso 0.5 1 calc R . P A 1
C146 C 0.1935(12) -0.0957(9) 0.2394(4) 0.153(8) Uani 1 1 d . U . . .
H14M H 0.1343 -0.0771 0.2452 0.229 Uiso 1 1 calc R . . . .
H14N H 0.2331 -0.1064 0.2652 0.229 Uiso 1 1 calc R . . . .
H14O H 0.1755 -0.1278 0.2314 0.229 Uiso 1 1 calc R . . . .
C147 C -0.0644(9) 0.2148(5) -0.0620(3) 0.081(3) Uani 1 1 d . . . . .
C148 C -0.0625(16) 0.2764(6) -0.0837(4) 0.121(5) Uani 1 1 d . U . . .
C149 C 0.0020(19) 0.3041(7) -0.0610(6) 0.177(7) Uani 1 1 d . U . . .
H14P H 0.0015 0.3428 -0.0756 0.266 Uiso 1 1 calc R . . . .
H14Q H 0.0688 0.2899 -0.0612 0.266 Uiso 1 1 calc R . . . .
H14R H -0.0216 0.2976 -0.0312 0.266 Uiso 1 1 calc R . . . .
C150 C -0.1704(17) 0.2965(7) -0.0772(5) 0.148(6) Uani 1 1 d . U . . .
H15D H -0.1771 0.3024 -0.0489 0.221 Uiso 1 1 calc R . . . .
H15E H -0.2170 0.2692 -0.0792 0.221 Uiso 1 1 calc R . . . .
H15F H -0.1835 0.3303 -0.0995 0.221 Uiso 1 1 calc R . . . .
C151 C -0.0491(15) 0.2868(7) -0.1329(4) 0.136(6) Uani 1 1 d . U . . .
H15G H -0.0985 0.2668 -0.1431 0.204 Uiso 1 1 calc R . . . .
H15H H 0.0161 0.2747 -0.1393 0.204 Uiso 1 1 calc R . . . .
H15I H -0.0567 0.3254 -0.1474 0.204 Uiso 1 1 calc R . . . .
C152 C -0.0790(7) -0.0732(5) 0.1380(3) 0.064(3) Uani 1 1 d . . . . .
C153 C -0.1342(8) -0.1252(5) 0.1607(3) 0.067(3) Uani 1 1 d . . . . .
C154 C -0.2331(8) -0.1125(5) 0.1791(4) 0.085(4) Uani 1 1 d . . . . .
H15J H -0.2227 -0.0918 0.1994 0.128 Uiso 1 1 calc R . . . .
H15K H -0.2661 -0.1462 0.1940 0.128 Uiso 1 1 calc R . . . .
H15L H -0.2736 -0.0914 0.1556 0.128 Uiso 1 1 calc R . . . .
C155 C -0.0670(8) -0.1586(5) 0.1975(3) 0.072(3) Uani 1 1 d . . . . .
H15M H -0.0980 -0.1930 0.2122 0.107 Uiso 1 1 calc R . . . .
H15N H -0.0573 -0.1383 0.2181 0.107 Uiso 1 1 calc R . . . .
H15O H -0.0037 -0.1653 0.1852 0.107 Uiso 1 1 calc R . . . .
C156 C -0.1477(9) -0.1572(5) 0.1296(4) 0.089(4) Uani 1 1 d . . . . .
H15P H -0.1833 -0.1903 0.1439 0.133 Uiso 1 1 calc R . . . .
H15Q H -0.0837 -0.1665 0.1194 0.133 Uiso 1 1 calc R . . . .
H15R H -0.1850 -0.1357 0.1051 0.133 Uiso 1 1 calc R . . . .
O44 O -0.0733(5) 0.0350(3) 0.0495(2) 0.078(2) Uani 1 1 d . . . . .


_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
Dy3 Dy4 3.9245(6) . ?
Dy3 Co3 3.4251(11) . ?
Dy3 O1BA 2.389(5) . ?
Dy3 O19 2.533(5) . ?
Dy3 O20 2.471(5) . ?
Dy3 O23 2.307(6) . ?
Dy3 O24 2.375(6) . ?
Dy3 O29 2.333(5) . ?
Dy3 O30 2.268(5) . ?
Dy3 O76 2.373(5) . ?
Dy4 Co4 3.4612(11) . ?
Dy4 O1BA 2.394(5) . ?
Dy4 O16 2.528(6) . ?
Dy4 O17 2.479(5) . ?
Dy4 O22 2.325(5) 2_456 ?
Dy4 O25 2.402(5) . ?
Dy4 O26 2.340(6) . ?
Dy4 O30 2.264(5) 2_456 ?
Dy4 O76 2.415(5) . ?
Co3 O1BA 2.048(5) . ?
Co3 O17 2.231(5) . ?
Co3 O20 2.058(5) . ?
Co3 O21 2.124(6) . ?
Co3 O28 2.045(6) . ?
Co3 N7 2.098(6) . ?
Co4 O17 2.090(5) . ?
Co4 O18 2.141(6) . ?
Co4 O20 2.227(5) . ?
Co4 O27 2.032(6) . ?
Co4 O76 2.051(5) . ?
Co4 N10 2.109(7) . ?
O1BA H1BA 1.0000 . ?
O16 C59 1.477(10) . ?
O16 C60 1.383(10) . ?
O17 C65 1.340(10) . ?
O18 C71 1.250(10) . ?
O19 C78 1.437(11) . ?
O19 C79 1.394(10) . ?
O20 C84 1.376(9) . ?
O21 C90 1.243(9) . ?
O22 Dy4 2.325(5) 2_456 ?
O22 C97 1.242(9) . ?
O23 C97 1.264(10) . ?
O24 C102 1.257(10) 2_456 ?
O25 C102 1.252(10) . ?
O26 C107 1.267(10) . ?
O27 C107 1.248(9) . ?
O28 C112 1.260(11) . ?
O29 C112 1.264(11) . ?
O30 Dy4 2.264(5) 2_456 ?
O76 H76 1.0000 . ?
N7 C85 1.297(10) . ?
N7 C86 1.413(11) . ?
N8 N9 1.427(10) . ?
N8 C90 1.344(11) . ?
N8 C91 1.433(12) . ?
N9 C87 1.408(12) . ?
N9 C89 1.476(11) . ?
N10 C66 1.278(11) . ?
N10 C67 1.397(11) . ?
N11 N12 1.409(11) . ?
N11 C71 1.387(11) . ?
N11 C72 1.417(14) . ?
N12 C68 1.381(14) . ?
N12 C70 1.471(13) . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 C61 1.377(12) . ?
C60 C65 1.397(12) . ?
C61 H61 0.9500 . ?
C61 C62 1.384(13) . ?
C62 H62 0.9500 . ?
C62 C63 1.364(14) . ?
C63 H63 0.9500 . ?
C63 C64 1.400(13) . ?
C64 C65 1.423(12) . ?
C64 C66 1.491(13) . ?
C66 H66 0.9500 . ?
C67 C68 1.392(12) . ?
C67 C71 1.409(13) . ?
C68 C69 1.490(14) . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C72 C73 1.373(15) . ?
C72 C77 1.397(14) . ?
C73 H73 0.9500 . ?
C73 C74 1.384(18) . ?
C74 H74 0.9500 . ?
C74 C75 1.415(18) . ?
C75 H75 0.9500 . ?
C75 C76 1.449(18) . ?
C76 H76A 0.9500 . ?
C76 C77 1.380(16) . ?
C77 H77 0.9500 . ?
C78 H78A 0.9800 . ?
C78 H78B 0.9800 . ?
C78 H78C 0.9800 . ?
C79 C80 1.412(12) . ?
C79 C84 1.389(12) . ?
C80 H80 0.9500 . ?
C80 C81 1.410(13) . ?
C81 H81 0.9500 . ?
C81 C82 1.363(14) . ?
C82 H82 0.9500 . ?
C82 C83 1.417(11) . ?
C83 C84 1.406(12) . ?
C83 C85 1.423(13) . ?
C85 H85 0.9500 . ?
C86 C87 1.346(11) . ?
C86 C90 1.448(12) . ?
C87 C88 1.499(13) . ?
C88 H88A 0.9800 . ?
C88 H88B 0.9800 . ?
C88 H88C 0.9800 . ?
C89 H89A 0.9800 . ?
C89 H89B 0.9800 . ?
C89 H89C 0.9800 . ?
C91 C92 1.374(13) . ?
C91 C96 1.388(13) . ?
C92 H92 0.9500 . ?
C92 C93 1.378(13) . ?
C93 H93 0.9500 . ?
C93 C94 1.397(15) . ?
C94 H94 0.9500 . ?
C94 C95 1.378(15) . ?
C95 H95 0.9500 . ?
C95 C96 1.379(14) . ?
C96 H96 0.9500 . ?
C97 C98 1.530(11) . ?
C98 C99 1.527(14) . ?
C98 C100 1.545(13) . ?
C98 C101 1.535(14) . ?
C99 H99A 0.9800 . ?
C99 H99B 0.9800 . ?
C99 H99C 0.9800 . ?
C100 H10A 0.9800 . ?
C100 H10B 0.9800 . ?
C100 H10C 0.9800 . ?
C101 H10D 0.9800 . ?
C101 H10E 0.9800 . ?
C101 H10F 0.9800 . ?
C102 O24 1.257(10) 2_456 ?
C102 C103 1.545(13) . ?
C103 C104 1.561(15) . ?
C103 C105 1.529(15) . ?
C103 C106 1.502(13) . ?
C104 H10G 0.9800 . ?
C104 H10H 0.9800 . ?
C104 H10I 0.9800 . ?
C105 H10J 0.9800 . ?
C105 H10K 0.9800 . ?
C105 H10L 0.9800 . ?
C106 H10M 0.9800 . ?
C106 H10N 0.9800 . ?
C106 H10O 0.9800 . ?
C107 C108 1.529(12) . ?
C108 C109 1.516(14) . ?
C108 C110 1.513(15) . ?
C108 C111 1.536(15) . ?
C109 H10P 0.9800 . ?
C109 H10Q 0.9800 . ?
C109 H10R 0.9800 . ?
C110 H11A 0.9800 . ?
C110 H11B 0.9800 . ?
C110 H11C 0.9800 . ?
C111 H11D 0.9800 . ?
C111 H11E 0.9800 . ?
C111 H11F 0.9800 . ?
C112 C113 1.510(13) . ?
C113 C114 1.587(17) . ?
C113 C115 1.565(18) . ?
C113 C116 1.504(15) . ?
C114 H11G 0.9800 . ?
C114 H11H 0.9800 . ?
C114 H11I 0.9800 . ?
C115 H11J 0.9800 . ?
C115 H11K 0.9800 . ?
C115 H11L 0.9800 . ?
C116 H11M 0.9800 . ?
C116 H11N 0.9800 . ?
C116 H11O 0.9800 . ?
Dy1 Dy2 3.9011(6) . ?
Dy1 Co2 3.4695(14) . ?
Dy1 O4 2.531(5) . ?
Dy1 O5 2.482(6) . ?
Dy1 O6AA 2.373(6) . ?
Dy1 O8 2.340(7) . ?
Dy1 O10 2.366(7) 2_546 ?
Dy1 O11 2.321(7) . ?
Dy1 O15 2.259(6) . ?
Dy1 O104 2.385(6) . ?
Dy2 Co1 3.4373(13) . ?
Dy2 O1 2.529(7) . ?
Dy2 O2 2.493(6) . ?
Dy2 O6AA 2.393(6) . ?
Dy2 O7 2.286(6) . ?
Dy2 O9 2.384(7) . ?
Dy2 O14 2.331(7) . ?
Dy2 O15 2.290(7) 2_546 ?
Dy2 O104 2.390(6) . ?
Co1 O2 2.044(6) . ?
Co1 O3 2.109(7) . ?
Co1 O5 2.222(6) . ?
Co1 O6AA 2.062(6) . ?
Co1 O13 2.062(7) . ?
Co1 N1 2.089(8) . ?
Co2 O2 2.255(6) . ?
Co2 O5 2.077(6) . ?
Co2 O6 2.124(7) . ?
Co2 O12 2.023(7) . ?
Co2 O104 2.061(6) . ?
Co2 N4 2.073(8) . ?
O1 C20 1.447(12) . ?
O1 C21 1.413(13) . ?
O2 C26 1.357(11) . ?
O3 C32 1.295(12) . ?
O4 C1 1.446(11) . ?
O4 C2 1.391(11) . ?
O5 C7 1.353(9) . ?
O6 C13 1.249(13) . ?
O6AA H6AA 1.0000 . ?
O7 C38 1.273(12) . ?
O8 C38 1.237(13) 2_546 ?
O9 C43 1.244(12) . ?
O10 Dy1 2.366(7) 2_546 ?
O10 C43 1.266(12) . ?
O11 C53 1.331(15) . ?
O12 C53 1.187(15) . ?
O13 C48 1.217(13) . ?
O14 C48 1.271(13) . ?
O15 Dy2 2.290(7) 2_546 ?
O104 H104 1.0000 . ?
N1 C27 1.307(14) . ?
N1 C28 1.412(13) . ?
N2 N3 1.360(12) . ?
N2 C32 1.387(13) . ?
N2 C33 1.447(15) . ?
N3 C29 1.390(16) . ?
N3 C31 1.494(12) . ?
N4 C8 1.293(12) . ?
N4 C9 1.416(14) . ?
N5 N6 1.381(16) . ?
N5 C13 1.367(15) . ?
N5 C14 1.450(15) . ?
N6 C10 1.397(17) . ?
N6 C157 1.525(18) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 C3 1.385(12) . ?
C2 C7 1.408(13) . ?
C3 H3 0.9500 . ?
C3 C4 1.345(15) . ?
C4 H4 0.9500 . ?
C4 C5 1.368(15) . ?
C4BA H4BA 0.9500 . ?
C4BA C33 1.352(15) . ?
C4BA C37 1.368(18) . ?
C5 H5 0.9500 . ?
C5 C6 1.415(12) . ?
C6 C7 1.421(13) . ?
C6 C8 1.465(14) . ?
C8 H8 0.9500 . ?
C9 C10 1.358(18) . ?
C9 C13 1.425(15) . ?
C10 C11 1.50(2) . ?
C11 H11P 0.9800 . ?
C11 H11Q 0.9800 . ?
C11 H11R 0.9800 . ?
C14 C15 1.43(2) . ?
C14 C19 1.387(18) . ?
C15 H15 0.9500 . ?
C15 C16 1.360(18) . ?
C16 H16 0.9500 . ?
C16 C17 1.36(2) . ?
C17 H17 0.9500 . ?
C17 C18 1.37(2) . ?
C18 H18 0.9500 . ?
C18 C19 1.395(16) . ?
C19 H19 0.9500 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.369(15) . ?
C21 C26 1.403(14) . ?
C22 H22 0.9500 . ?
C22 C23 1.387(19) . ?
C23 H23 0.9500 . ?
C23 C24 1.39(2) . ?
C24 H24 0.9500 . ?
C24 C25 1.484(17) . ?
C25 C26 1.378(16) . ?
C25 C27 1.489(17) . ?
C27 H27 0.9500 . ?
C28 C29 1.391(14) . ?
C28 C32 1.369(16) . ?
C29 C30 1.439(17) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C33 C34 1.404(15) . ?
C34 H34 0.9500 . ?
C34 C35 1.42(2) . ?
C35 H35 0.9500 . ?
C35 C36 1.333(18) . ?
C36 H36 0.9500 . ?
C36 C37 1.367(16) . ?
C37 H37 0.9500 . ?
C38 O8 1.238(13) 2_546 ?
C38 C39 1.563(13) . ?
C39 C40 1.557(16) . ?
C39 C41 1.512(16) . ?
C39 C42 1.459(16) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 C44 1.591(15) . ?
C44 C45 1.46(2) . ?
C44 C46 1.37(2) . ?
C44 C47 1.441(18) . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 C49 1.55(2) . ?
C49 C50 1.40(2) . ?
C49 C51 1.81(4) . ?
C49 C52 1.32(2) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 C54 1.529(18) . ?
C54 C56 1.36(2) . ?
C54 C57 1.408(18) . ?
C54 C58 1.89(3) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C157 H15A 0.9800 . ?
C157 H15B 0.9800 . ?
C157 H15C 0.9800 . ?
Dy5 O33 2.280(8) . ?
Dy5 O34 2.479(7) . ?
Dy5 O35 2.427(7) . ?
Dy5 O38 2.466(7) . ?
Dy5 O39 2.523(7) . ?
Dy5 O40 2.326(8) . ?
Dy5 O41 2.907(10) . ?
Dy5 O42 2.315(7) . ?
Dy5 C137 2.825(11) . ?
Dy5 C142 2.968(13) . ?
Dy5 C152 2.883(10) . ?
Dy5 O44 2.282(7) . ?
Dy6 Dy5 3.7003(8) 2 ?
Dy6 Co5 3.4719(14) . ?
Dy6 O31 2.666(7) . ?
Dy6 O32 2.303(7) . ?
Dy6 O36 2.319(8) . ?
Dy6 O39 2.337(6) 2 ?
Dy6 O41 2.381(8) 2 ?
Dy6 O42 2.366(8) 2 ?
Dy6 O43 2.413(7) . ?
Dy6 O48 2.466(7) . ?
Dy6 O50 2.543(6) . ?
Dy6 N16 2.924(9) . ?
C1F_b H1FA_b 0.9800 . ?
C1F_b H1FB_b 0.9800 . ?
C1F_b H1FC_b 0.9800 . ?
C1F_b C143 1.580(19) . ?
Dy7 O42 2.114(9) . ?
Dy7 O43 1.996(11) . ?
Dy7 O45 2.475(10) . ?
Dy7 O44 2.581(8) . ?
Co5 O32 2.039(7) . ?
Co5 O34 2.151(7) . ?
Co5 O37 2.034(8) . ?
Co5 O43 2.102(8) . ?
Co5 N13 2.109(9) . ?
Co5 O44 2.159(8) . ?
O31 C118 1.457(13) . ?
O31 C119 1.392(13) . ?
O32 C124 1.357(12) . ?
O33 C130 1.298(13) . ?
O34 C137 1.261(13) . ?
O35 C137 1.259(13) . ?
O36 C147 1.285(13) . ?
O37 C147 1.270(12) . ?
O38 C152 1.252(13) . ?
O39 Dy6 2.337(6) 2 ?
O39 C152 1.283(11) . ?
O40 C142 1.241(14) . ?
O41 Dy6 2.381(8) 2 ?
O41 C142 1.271(12) . ?
O42 Dy6 2.366(8) 2 ?
O45 N17 1.163(16) . ?
O46 N17 1.222(15) . ?
O47 N17 1.271(17) . ?
O48 N16 1.296(10) . ?
O49 N16 1.241(11) . ?
O50 N16 1.263(11) . ?
N13 C125 1.286(15) . ?
N13 C126 1.442(14) . ?
N14 N15 1.346(14) . ?
N14 C12_b 1.480(12) . ?
N14 C130 1.356(13) . ?
N14 C131_a 1.423(11) . ?
N15 C127 1.346(16) . ?
N15 C129 1.534(18) . ?
C12_b C1E_b 1.3900 . ?
C12_b C1A_b 1.3900 . ?
C1E_b H1E_b 0.9500 . ?
C1E_b C1D_b 1.3900 . ?
C1D_b H1D_b 0.9500 . ?
C1D_b C1C_b 1.3900 . ?
C1C_b H1CA_b 0.9500 . ?
C1C_b C1B_b 1.3900 . ?
C1B_b H1BB_b 0.9500 . ?
C1B_b C1A_b 1.3900 . ?
C1A_b H1AA_b 0.9500 . ?
C118 H11S 0.9800 . ?
C118 H11T 0.9800 . ?
C118 H11U 0.9800 . ?
C119 C120 1.339(14) . ?
C119 C124 1.452(15) . ?
C120 H120 0.9500 . ?
C120 C121 1.42(2) . ?
C121 H121 0.9500 . ?
C121 C122 1.36(2) . ?
C122 H122 0.9500 . ?
C122 C123 1.435(16) . ?
C123 C124 1.383(15) . ?
C123 C125 1.420(17) . ?
C125 H125 0.9500 . ?
C126 C127 1.354(16) . ?
C126 C130 1.403(16) . ?
C127 C128 1.537(18) . ?
C128 H12A 0.9800 . ?
C128 H12B 0.9800 . ?
C128 H12C 0.9800 . ?
C129 H12D 0.9800 . ?
C129 H12E 0.9800 . ?
C129 H12F 0.9800 . ?
C134_a H134_a 0.9500 . ?
C134_a C135_a 1.3900 . ?
C134_a C133_a 1.3900 . ?
C135_a H135_a 0.9500 . ?
C135_a C136_a 1.3900 . ?
C136_a H136_a 0.9500 . ?
C136_a C131_a 1.3900 . ?
C131_a C132_a 1.3900 . ?
C132_a H132_a 0.9500 . ?
C132_a C133_a 1.3900 . ?
C133_a H133_a 0.9500 . ?
C137 C138 1.549(15) . ?
C138 C139 1.516(15) . ?
C138 C140 1.502(19) . ?
C138 C141 1.569(17) . ?
C139 H13A 0.9800 . ?
C139 H13B 0.9800 . ?
C139 H13C 0.9800 . ?
C140 H14A 0.9800 . ?
C140 H14B 0.9800 . ?
C140 H14C 0.9800 . ?
C141 H14D 0.9800 . ?
C141 H14E 0.9800 . ?
C141 H14F 0.9800 . ?
C142 C143 1.537(15) . ?
C143 C144 1.453(17) . ?
C143 C145_a 1.519(15) . ?
C143 C146 1.583(18) . ?
C144 H14G 0.9800 . ?
C144 H14H 0.9800 . ?
C144 H14I 0.9800 . ?
C145_a H14J_a 0.9800 . ?
C145_a H14K_a 0.9800 . ?
C145_a H14L_a 0.9800 . ?
C146 H14M 0.9800 . ?
C146 H14N 0.9800 . ?
C146 H14O 0.9800 . ?
C147 C148 1.547(18) . ?
C148 C149 1.49(2) . ?
C148 C150 1.59(3) . ?
C148 C151 1.551(19) . ?
C149 H14P 0.9800 . ?
C149 H14Q 0.9800 . ?
C149 H14R 0.9800 . ?
C150 H15D 0.9800 . ?
C150 H15E 0.9800 . ?
C150 H15F 0.9800 . ?
C151 H15G 0.9800 . ?
C151 H15H 0.9800 . ?
C151 H15I 0.9800 . ?
C152 C153 1.537(14) . ?
C153 C154 1.537(15) . ?
C153 C155 1.569(15) . ?
C153 C156 1.503(15) . ?
C154 H15J 0.9800 . ?
C154 H15K 0.9800 . ?
C154 H15L 0.9800 . ?
C155 H15M 0.9800 . ?
C155 H15N 0.9800 . ?
C155 H15O 0.9800 . ?
C156 H15P 0.9800 . ?
C156 H15Q 0.9800 . ?
C156 H15R 0.9800 . ?

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
Co3 Dy3 Dy4 57.658(19) . . ?
O1BA Dy3 Dy4 34.90(13) . . ?
O1BA Dy3 Co3 35.97(12) . . ?
O1BA Dy3 O19 131.50(18) . . ?
O1BA Dy3 O20 70.07(17) . . ?
O19 Dy3 Dy4 126.74(13) . . ?
O19 Dy3 Co3 96.42(13) . . ?
O20 Dy3 Dy4 76.78(12) . . ?
O20 Dy3 Co3 36.53(12) . . ?
O20 Dy3 O19 61.46(18) . . ?
O23 Dy3 Dy4 155.88(14) . . ?
O23 Dy3 Co3 140.19(15) . . ?
O23 Dy3 O1BA 143.7(2) . . ?
O23 Dy3 O19 73.63(19) . . ?
O23 Dy3 O20 127.33(18) . . ?
O23 Dy3 O24 77.8(2) . . ?
O23 Dy3 O29 76.1(2) . . ?
O23 Dy3 O76 145.5(2) . . ?
O24 Dy3 Dy4 92.67(15) . . ?
O24 Dy3 Co3 139.27(16) . . ?
O24 Dy3 O1BA 126.9(2) . . ?
O24 Dy3 O19 78.94(19) . . ?
O24 Dy3 O20 116.10(19) . . ?
O29 Dy3 Dy4 113.83(14) . . ?
O29 Dy3 Co3 64.90(15) . . ?
O29 Dy3 O1BA 79.10(19) . . ?
O29 Dy3 O19 87.82(19) . . ?
O29 Dy3 O20 76.14(19) . . ?
O29 Dy3 O24 153.2(2) . . ?
O29 Dy3 O76 137.43(19) . . ?
O30 Dy3 Dy4 76.50(15) . . ?
O30 Dy3 Co3 111.13(15) . . ?
O30 Dy3 O1BA 76.84(19) . . ?
O30 Dy3 O19 151.6(2) . . ?
O30 Dy3 O20 146.90(19) . . ?
O30 Dy3 O23 80.5(2) . . ?
O30 Dy3 O24 84.3(2) . . ?
O30 Dy3 O29 97.4(2) . . ?
O30 Dy3 O76 98.73(19) . . ?
O76 Dy3 Dy4 35.30(13) . . ?
O76 Dy3 Co3 72.55(13) . . ?
O76 Dy3 O1BA 66.76(19) . . ?
O76 Dy3 O19 96.04(18) . . ?
O76 Dy3 O20 68.98(17) . . ?
O76 Dy3 O24 67.8(2) . . ?
Co4 Dy4 Dy3 57.90(2) . . ?
O1BA Dy4 Dy3 34.82(13) . . ?
O1BA Dy4 Co4 73.20(13) . . ?
O1BA Dy4 O16 99.67(18) . . ?
O1BA Dy4 O17 70.32(18) . . ?
O1BA Dy4 O25 69.09(19) . . ?
O1BA Dy4 O76 66.02(18) . . ?
O16 Dy4 Dy3 128.91(13) . . ?
O16 Dy4 Co4 95.72(12) . . ?
O17 Dy4 Dy3 77.32(12) . . ?
O17 Dy4 Co4 36.72(13) . . ?
O17 Dy4 O16 61.15(17) . . ?
O22 Dy4 Dy3 153.34(14) 2_456 . ?
O22 Dy4 Co4 139.58(15) 2_456 . ?
O22 Dy4 O1BA 146.7(2) 2_456 . ?
O22 Dy4 O16 75.32(19) 2_456 . ?
O22 Dy4 O17 129.10(19) 2_456 . ?
O22 Dy4 O25 77.8(2) 2_456 . ?
O22 Dy4 O26 75.9(2) 2_456 . ?
O22 Dy4 O76 141.41(19) 2_456 . ?
O25 Dy4 Dy3 96.10(14) . . ?
O25 Dy4 Co4 139.18(13) . . ?
O25 Dy4 O16 76.09(18) . . ?
O25 Dy4 O17 112.95(18) . . ?
O25 Dy4 O76 130.55(19) . . ?
O26 Dy4 Dy3 111.87(14) . . ?
O26 Dy4 Co4 64.27(13) . . ?
O26 Dy4 O1BA 137.36(18) . . ?
O26 Dy4 O16 87.8(2) . . ?
O26 Dy4 O17 77.27(18) . . ?
O26 Dy4 O25 151.9(2) . . ?
O26 Dy4 O76 77.30(19) . . ?
O30 Dy4 Dy3 72.26(14) 2_456 . ?
O30 Dy4 Co4 112.33(14) 2_456 . ?
O30 Dy4 O1BA 91.30(19) 2_456 . ?
O30 Dy4 O16 151.82(18) 2_456 . ?
O30 Dy4 O17 146.67(19) 2_456 . ?
O30 Dy4 O22 81.2(2) 2_456 2_456 ?
O30 Dy4 O25 83.90(19) 2_456 . ?
O30 Dy4 O26 101.6(2) 2_456 . ?
O30 Dy4 O76 77.52(18) 2_456 . ?
O76 Dy4 Dy3 34.59(13) . . ?
O76 Dy4 Co4 35.53(12) . . ?
O76 Dy4 O16 130.65(17) . . ?
O76 Dy4 O17 69.70(17) . . ?
O1BA Co3 Dy3 43.25(15) . . ?
O1BA Co3 O17 81.9(2) . . ?
O1BA Co3 O20 85.6(2) . . ?
O1BA Co3 O21 101.7(2) . . ?
O1BA Co3 N7 174.6(3) . . ?
O17 Co3 Dy3 92.12(14) . . ?
O20 Co3 Dy3 45.60(14) . . ?
O20 Co3 O17 81.9(2) . . ?
O20 Co3 O21 167.8(2) . . ?
O20 Co3 N7 89.3(2) . . ?
O21 Co3 Dy3 143.99(15) . . ?
O21 Co3 O17 89.4(2) . . ?
O28 Co3 Dy3 84.18(17) . . ?
O28 Co3 O1BA 92.9(2) . . ?
O28 Co3 O17 174.8(2) . . ?
O28 Co3 O20 98.0(2) . . ?
O28 Co3 O21 91.5(2) . . ?
O28 Co3 N7 89.4(3) . . ?
N7 Co3 Dy3 132.4(2) . . ?
N7 Co3 O17 95.8(2) . . ?
N7 Co3 O21 83.1(2) . . ?
O17 Co4 Dy4 45.16(13) . . ?
O17 Co4 O18 168.2(2) . . ?
O17 Co4 O20 81.3(2) . . ?
O17 Co4 N10 88.6(2) . . ?
O18 Co4 Dy4 144.98(16) . . ?
O18 Co4 O20 91.5(2) . . ?
O20 Co4 Dy4 90.49(13) . . ?
O27 Co4 Dy4 83.86(16) . . ?
O27 Co4 O17 96.7(2) . . ?
O27 Co4 O18 91.4(2) . . ?
O27 Co4 O20 173.6(2) . . ?
O27 Co4 O76 94.1(2) . . ?
O27 Co4 N10 92.4(2) . . ?
O76 Co4 Dy4 43.17(15) . . ?
O76 Co4 O17 85.0(2) . . ?
O76 Co4 O18 103.1(2) . . ?
O76 Co4 O20 79.7(2) . . ?
O76 Co4 N10 171.4(3) . . ?
N10 Co4 Dy4 132.3(2) . . ?
N10 Co4 O18 82.4(3) . . ?
N10 Co4 O20 93.6(2) . . ?
Dy3 O1BA Dy4 110.3(2) . . ?
Dy3 O1BA H1BA 112.7 . . ?
Dy4 O1BA H1BA 112.7 . . ?
Co3 O1BA Dy3 100.8(2) . . ?
Co3 O1BA Dy4 106.8(2) . . ?
Co3 O1BA H1BA 112.7 . . ?
C59 O16 Dy4 122.8(5) . . ?
C60 O16 Dy4 120.9(5) . . ?
C60 O16 C59 116.1(7) . . ?
Co3 O17 Dy4 98.5(2) . . ?
Co4 O17 Dy4 98.13(19) . . ?
Co4 O17 Co3 97.8(2) . . ?
C65 O17 Dy4 121.1(5) . . ?
C65 O17 Co3 114.8(4) . . ?
C65 O17 Co4 121.8(5) . . ?
C71 O18 Co4 105.8(6) . . ?
C78 O19 Dy3 124.1(5) . . ?
C79 O19 Dy3 117.9(5) . . ?
C79 O19 C78 117.2(6) . . ?
Co3 O20 Dy3 97.87(19) . . ?
Co3 O20 Co4 98.9(2) . . ?
Co4 O20 Dy3 99.86(19) . . ?
C84 O20 Dy3 119.5(5) . . ?
C84 O20 Co3 120.5(5) . . ?
C84 O20 Co4 116.1(4) . . ?
C90 O21 Co3 107.0(5) . . ?
C97 O22 Dy4 139.9(6) . 2_456 ?
C97 O23 Dy3 143.0(5) . . ?
C102 O24 Dy3 139.1(6) 2_456 . ?
C102 O25 Dy4 139.1(5) . . ?
C107 O26 Dy4 139.6(5) . . ?
C107 O27 Co4 125.5(5) . . ?
C112 O28 Co3 124.9(6) . . ?
C112 O29 Dy3 139.5(6) . . ?
Dy4 O30 Dy3 134.3(3) 2_456 . ?
Dy3 O76 Dy4 110.1(2) . . ?
Dy3 O76 H76 112.1 . . ?
Dy4 O76 H76 112.1 . . ?
Co4 O76 Dy3 108.6(2) . . ?
Co4 O76 Dy4 101.3(2) . . ?
Co4 O76 H76 112.1 . . ?
C85 N7 Co3 124.5(6) . . ?
C85 N7 C86 125.9(7) . . ?
C86 N7 Co3 108.3(5) . . ?
N9 N8 C91 118.9(7) . . ?
C90 N8 N9 109.8(7) . . ?
C90 N8 C91 127.2(7) . . ?
N8 N9 C89 113.8(7) . . ?
C87 N9 N8 105.7(7) . . ?
C87 N9 C89 117.7(7) . . ?
C66 N10 Co4 126.6(6) . . ?
C66 N10 C67 124.9(7) . . ?
C67 N10 Co4 107.9(6) . . ?
N12 N11 C72 121.9(8) . . ?
C71 N11 N12 107.5(8) . . ?
C71 N11 C72 126.6(8) . . ?
N11 N12 C70 117.9(9) . . ?
C68 N12 N11 108.4(7) . . ?
C68 N12 C70 122.1(10) . . ?
O16 C59 H59A 109.5 . . ?
O16 C59 H59B 109.5 . . ?
O16 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
O16 C60 C65 112.7(8) . . ?
C61 C60 O16 125.6(8) . . ?
C61 C60 C65 121.7(8) . . ?
C60 C61 H61 120.0 . . ?
C60 C61 C62 120.0(9) . . ?
C62 C61 H61 120.0 . . ?
C61 C62 H62 120.3 . . ?
C63 C62 C61 119.5(9) . . ?
C63 C62 H62 120.3 . . ?
C62 C63 H63 118.8 . . ?
C62 C63 C64 122.4(9) . . ?
C64 C63 H63 118.8 . . ?
C63 C64 C65 118.1(9) . . ?
C63 C64 C66 116.7(8) . . ?
C65 C64 C66 125.2(8) . . ?
O17 C65 C60 117.1(8) . . ?
O17 C65 C64 124.7(8) . . ?
C60 C65 C64 118.2(8) . . ?
N10 C66 C64 124.1(7) . . ?
N10 C66 H66 117.9 . . ?
C64 C66 H66 117.9 . . ?
N10 C67 C71 115.6(7) . . ?
C68 C67 N10 135.9(9) . . ?
C68 C67 C71 108.0(8) . . ?
N12 C68 C67 108.0(9) . . ?
N12 C68 C69 122.3(8) . . ?
C67 C68 C69 129.7(10) . . ?
C68 C69 H69A 109.5 . . ?
C68 C69 H69B 109.5 . . ?
C68 C69 H69C 109.5 . . ?
H69A C69 H69B 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
N12 C70 H70A 109.5 . . ?
N12 C70 H70B 109.5 . . ?
N12 C70 H70C 109.5 . . ?
H70A C70 H70B 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
O18 C71 N11 124.0(9) . . ?
O18 C71 C67 128.2(8) . . ?
N11 C71 C67 107.7(8) . . ?
C73 C72 N11 121.6(10) . . ?
C73 C72 C77 121.0(11) . . ?
C77 C72 N11 117.4(9) . . ?
C72 C73 H73 119.4 . . ?
C72 C73 C74 121.3(12) . . ?
C74 C73 H73 119.4 . . ?
C73 C74 H74 120.4 . . ?
C73 C74 C75 119.2(12) . . ?
C75 C74 H74 120.4 . . ?
C74 C75 H75 120.5 . . ?
C74 C75 C76 118.9(12) . . ?
C76 C75 H75 120.5 . . ?
C75 C76 H76A 120.2 . . ?
C77 C76 C75 119.5(11) . . ?
C77 C76 H76A 120.2 . . ?
C72 C77 H77 120.1 . . ?
C76 C77 C72 119.8(10) . . ?
C76 C77 H77 120.1 . . ?
O19 C78 H78A 109.5 . . ?
O19 C78 H78B 109.5 . . ?
O19 C78 H78C 109.5 . . ?
H78A C78 H78B 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
O19 C79 C80 123.4(8) . . ?
C84 C79 O19 115.0(7) . . ?
C84 C79 C80 121.6(8) . . ?
C79 C80 H80 121.2 . . ?
C81 C80 C79 117.6(9) . . ?
C81 C80 H80 121.2 . . ?
C80 C81 H81 119.6 . . ?
C82 C81 C80 120.8(8) . . ?
C82 C81 H81 119.6 . . ?
C81 C82 H82 119.1 . . ?
C81 C82 C83 121.9(8) . . ?
C83 C82 H82 119.1 . . ?
C82 C83 C85 116.4(8) . . ?
C84 C83 C82 117.9(9) . . ?
C84 C83 C85 125.7(7) . . ?
O20 C84 C79 114.7(7) . . ?
O20 C84 C83 125.2(8) . . ?
C79 C84 C83 120.0(7) . . ?
N7 C85 C83 125.8(7) . . ?
N7 C85 H85 117.1 . . ?
C83 C85 H85 117.1 . . ?
N7 C86 C90 114.6(7) . . ?
C87 C86 N7 136.7(8) . . ?
C87 C86 C90 108.5(8) . . ?
N9 C87 C88 120.3(8) . . ?
C86 C87 N9 109.1(7) . . ?
C86 C87 C88 130.4(9) . . ?
C87 C88 H88A 109.5 . . ?
C87 C88 H88B 109.5 . . ?
C87 C88 H88C 109.5 . . ?
H88A C88 H88B 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
N9 C89 H89A 109.5 . . ?
N9 C89 H89B 109.5 . . ?
N9 C89 H89C 109.5 . . ?
H89A C89 H89B 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
O21 C90 N8 126.3(8) . . ?
O21 C90 C86 127.1(8) . . ?
N8 C90 C86 106.6(7) . . ?
C92 C91 N8 117.9(9) . . ?
C92 C91 C96 120.8(9) . . ?
C96 C91 N8 121.3(8) . . ?
C91 C92 H92 120.1 . . ?
C91 C92 C93 119.9(9) . . ?
C93 C92 H92 120.1 . . ?
C92 C93 H93 119.8 . . ?
C92 C93 C94 120.4(9) . . ?
C94 C93 H93 119.8 . . ?
C93 C94 H94 120.8 . . ?
C95 C94 C93 118.5(10) . . ?
C95 C94 H94 120.8 . . ?
C94 C95 H95 119.1 . . ?
C94 C95 C96 121.8(10) . . ?
C96 C95 H95 119.1 . . ?
C91 C96 H96 120.7 . . ?
C95 C96 C91 118.6(10) . . ?
C95 C96 H96 120.7 . . ?
O22 C97 O23 124.5(8) . . ?
O22 C97 C98 118.6(8) . . ?
O23 C97 C98 116.9(7) . . ?
C97 C98 C99 111.8(8) . . ?
C97 C98 C100 104.9(7) . . ?
C97 C98 C101 108.4(7) . . ?
C99 C98 C100 108.7(9) . . ?
C99 C98 C101 111.6(9) . . ?
C101 C98 C100 111.2(9) . . ?
C98 C99 H99A 109.5 . . ?
C98 C99 H99B 109.5 . . ?
C98 C99 H99C 109.5 . . ?
H99A C99 H99B 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
C98 C100 H10A 109.5 . . ?
C98 C100 H10B 109.5 . . ?
C98 C100 H10C 109.5 . . ?
H10A C100 H10B 109.5 . . ?
H10A C100 H10C 109.5 . . ?
H10B C100 H10C 109.5 . . ?
C98 C101 H10D 109.5 . . ?
C98 C101 H10E 109.5 . . ?
C98 C101 H10F 109.5 . . ?
H10D C101 H10E 109.5 . . ?
H10D C101 H10F 109.5 . . ?
H10E C101 H10F 109.5 . . ?
O24 C102 C103 116.6(8) 2_456 . ?
O25 C102 O24 125.5(8) . 2_456 ?
O25 C102 C103 117.9(8) . . ?
C102 C103 C104 108.1(9) . . ?
C105 C103 C102 106.9(8) . . ?
C105 C103 C104 111.8(11) . . ?
C106 C103 C102 111.8(8) . . ?
C106 C103 C104 109.9(9) . . ?
C106 C103 C105 108.3(10) . . ?
C103 C104 H10G 109.5 . . ?
C103 C104 H10H 109.5 . . ?
C103 C104 H10I 109.5 . . ?
H10G C104 H10H 109.5 . . ?
H10G C104 H10I 109.5 . . ?
H10H C104 H10I 109.5 . . ?
C103 C105 H10J 109.5 . . ?
C103 C105 H10K 109.5 . . ?
C103 C105 H10L 109.5 . . ?
H10J C105 H10K 109.5 . . ?
H10J C105 H10L 109.5 . . ?
H10K C105 H10L 109.5 . . ?
C103 C106 H10M 109.5 . . ?
C103 C106 H10N 109.5 . . ?
C103 C106 H10O 109.5 . . ?
H10M C106 H10N 109.5 . . ?
H10M C106 H10O 109.5 . . ?
H10N C106 H10O 109.5 . . ?
O26 C107 C108 116.5(7) . . ?
O27 C107 O26 125.0(8) . . ?
O27 C107 C108 118.4(8) . . ?
C107 C108 C111 109.3(7) . . ?
C109 C108 C107 108.7(8) . . ?
C109 C108 C111 113.0(10) . . ?
C110 C108 C107 108.9(9) . . ?
C110 C108 C109 107.6(9) . . ?
C110 C108 C111 109.2(11) . . ?
C108 C109 H10P 109.5 . . ?
C108 C109 H10Q 109.5 . . ?
C108 C109 H10R 109.5 . . ?
H10P C109 H10Q 109.5 . . ?
H10P C109 H10R 109.5 . . ?
H10Q C109 H10R 109.5 . . ?
C108 C110 H11A 109.5 . . ?
C108 C110 H11B 109.5 . . ?
C108 C110 H11C 109.5 . . ?
H11A C110 H11B 109.5 . . ?
H11A C110 H11C 109.5 . . ?
H11B C110 H11C 109.5 . . ?
C108 C111 H11D 109.5 . . ?
C108 C111 H11E 109.5 . . ?
C108 C111 H11F 109.5 . . ?
H11D C111 H11E 109.5 . . ?
H11D C111 H11F 109.5 . . ?
H11E C111 H11F 109.5 . . ?
O28 C112 O29 125.2(9) . . ?
O28 C112 C113 116.3(9) . . ?
O29 C112 C113 118.5(9) . . ?
C112 C113 C114 106.3(9) . . ?
C112 C113 C115 104.2(10) . . ?
C112 C113 C116 112.9(9) . . ?
C115 C113 C114 112.4(12) . . ?
C116 C113 C114 108.4(10) . . ?
C116 C113 C115 112.5(11) . . ?
C113 C114 H11G 109.5 . . ?
C113 C114 H11H 109.5 . . ?
C113 C114 H11I 109.5 . . ?
H11G C114 H11H 109.5 . . ?
H11G C114 H11I 109.5 . . ?
H11H C114 H11I 109.5 . . ?
C113 C115 H11J 109.5 . . ?
C113 C115 H11K 109.5 . . ?
C113 C115 H11L 109.5 . . ?
H11J C115 H11K 109.5 . . ?
H11J C115 H11L 109.5 . . ?
H11K C115 H11L 109.5 . . ?
C113 C116 H11M 109.5 . . ?
C113 C116 H11N 109.5 . . ?
C113 C116 H11O 109.5 . . ?
H11M C116 H11N 109.5 . . ?
H11M C116 H11O 109.5 . . ?
H11N C116 H11O 109.5 . . ?
Co2 Dy1 Dy2 58.20(2) . . ?
O4 Dy1 Dy2 130.02(15) . . ?
O4 Dy1 Co2 95.74(15) . . ?
O5 Dy1 Dy2 76.98(12) . . ?
O5 Dy1 Co2 36.29(13) . . ?
O5 Dy1 O4 62.00(19) . . ?
O6AA Dy1 Dy2 35.23(13) . . ?
O6AA Dy1 Co2 72.99(15) . . ?
O6AA Dy1 O4 100.16(19) . . ?
O6AA Dy1 O5 69.29(19) . . ?
O6AA Dy1 O104 66.8(2) . . ?
O8 Dy1 Dy2 152.82(16) . . ?
O8 Dy1 Co2 138.63(18) . . ?
O8 Dy1 O4 75.2(2) . . ?
O8 Dy1 O5 129.7(2) . . ?
O8 Dy1 O6AA 147.9(2) . . ?
O8 Dy1 O10 78.0(3) . 2_546 ?
O8 Dy1 O104 139.8(2) . . ?
O10 Dy1 Dy2 97.24(17) 2_546 . ?
O10 Dy1 Co2 139.74(18) 2_546 . ?
O10 Dy1 O4 75.6(2) 2_546 . ?
O10 Dy1 O5 112.8(2) 2_546 . ?
O10 Dy1 O6AA 70.2(2) 2_546 . ?
O10 Dy1 O104 132.4(2) 2_546 . ?
O11 Dy1 Dy2 112.00(17) . . ?
O11 Dy1 Co2 63.96(19) . . ?
O11 Dy1 O4 86.5(2) . . ?
O11 Dy1 O5 77.1(2) . . ?
O11 Dy1 O6AA 136.9(2) . . ?
O11 Dy1 O8 75.1(3) . . ?
O11 Dy1 O10 150.7(2) . 2_546 ?
O11 Dy1 O104 76.8(2) . . ?
O15 Dy1 Dy2 71.14(16) . . ?
O15 Dy1 Co2 111.24(17) . . ?
O15 Dy1 O4 152.8(2) . . ?
O15 Dy1 O5 145.0(2) . . ?
O15 Dy1 O6AA 91.5(2) . . ?
O15 Dy1 O8 81.8(2) . . ?
O15 Dy1 O10 85.6(2) . 2_546 ?
O15 Dy1 O11 101.7(2) . . ?
O15 Dy1 O104 76.4(2) . . ?
O104 Dy1 Dy2 35.26(14) . . ?
O104 Dy1 Co2 35.48(14) . . ?
O104 Dy1 O4 130.8(2) . . ?
O104 Dy1 O5 69.25(19) . . ?
Co1 Dy2 Dy1 58.35(2) . . ?
O1 Dy2 Dy1 126.87(14) . . ?
O1 Dy2 Co1 96.38(17) . . ?
O2 Dy2 Dy1 77.67(14) . . ?
O2 Dy2 Co1 36.08(14) . . ?
O2 Dy2 O1 61.6(2) . . ?
O6AA Dy2 Dy1 34.88(13) . . ?
O6AA Dy2 Co1 36.12(14) . . ?
O6AA Dy2 O1 131.5(2) . . ?
O6AA Dy2 O2 69.9(2) . . ?
O7 Dy2 Dy1 155.9(2) . . ?
O7 Dy2 Co1 140.7(2) . . ?
O7 Dy2 O1 72.6(2) . . ?
O7 Dy2 O2 126.4(2) . . ?
O7 Dy2 O6AA 145.5(2) . . ?
O7 Dy2 O9 76.9(3) . . ?
O7 Dy2 O14 77.3(3) . . ?
O7 Dy2 O15 79.6(2) . 2_546 ?
O7 Dy2 O104 144.4(2) . . ?
O9 Dy2 Dy1 91.94(17) . . ?
O9 Dy2 Co1 139.53(15) . . ?
O9 Dy2 O1 79.5(3) . . ?
O9 Dy2 O2 117.4(2) . . ?
O9 Dy2 O6AA 126.2(2) . . ?
O9 Dy2 O104 67.8(2) . . ?
O14 Dy2 Dy1 113.68(18) . . ?
O14 Dy2 Co1 64.64(17) . . ?
O14 Dy2 O1 88.8(3) . . ?
O14 Dy2 O2 75.7(2) . . ?
O14 Dy2 O6AA 78.9(2) . . ?
O14 Dy2 O9 153.8(2) . . ?
O14 Dy2 O104 137.4(2) . . ?
O15 Dy2 Dy1 78.02(14) 2_546 . ?
O15 Dy2 Co1 112.25(15) 2_546 . ?
O15 Dy2 O1 150.1(2) 2_546 . ?
O15 Dy2 O2 148.0(2) 2_546 . ?
O15 Dy2 O6AA 78.3(2) 2_546 . ?
O15 Dy2 O9 83.9(2) 2_546 . ?
O15 Dy2 O14 95.6(2) 2_546 . ?
O15 Dy2 O104 100.4(2) 2_546 . ?
O104 Dy2 Dy1 35.17(14) . . ?
O104 Dy2 Co1 72.73(14) . . ?
O104 Dy2 O1 96.0(2) . . ?
O104 Dy2 O2 69.9(2) . . ?
O104 Dy2 O6AA 66.34(19) . . ?
O2 Co1 Dy2 45.90(17) . . ?
O2 Co1 O3 167.2(3) . . ?
O2 Co1 O5 82.3(2) . . ?
O2 Co1 O6AA 85.9(2) . . ?
O2 Co1 O13 98.2(3) . . ?
O2 Co1 N1 88.9(3) . . ?
O3 Co1 Dy2 144.13(18) . . ?
O3 Co1 O5 88.9(2) . . ?
O5 Co1 Dy2 90.97(14) . . ?
O6AA Co1 Dy2 43.17(16) . . ?
O6AA Co1 O3 101.8(2) . . ?
O6AA Co1 O5 80.1(2) . . ?
O6AA Co1 N1 174.7(3) . . ?
O13 Co1 Dy2 83.90(19) . . ?
O13 Co1 O3 91.8(3) . . ?
O13 Co1 O5 172.2(3) . . ?
O13 Co1 O6AA 92.1(3) . . ?
O13 Co1 N1 89.7(3) . . ?
N1 Co1 Dy2 132.2(3) . . ?
N1 Co1 O3 83.1(3) . . ?
N1 Co1 O5 98.1(3) . . ?
O2 Co2 Dy1 90.57(17) . . ?
O5 Co2 Dy1 44.99(17) . . ?
O5 Co2 O2 80.7(2) . . ?
O5 Co2 O6 168.7(3) . . ?
O6 Co2 Dy1 144.1(2) . . ?
O6 Co2 O2 91.5(2) . . ?
O12 Co2 Dy1 83.1(3) . . ?
O12 Co2 O2 172.6(3) . . ?
O12 Co2 O5 97.3(3) . . ?
O12 Co2 O6 91.4(3) . . ?
O12 Co2 O104 92.1(3) . . ?
O12 Co2 N4 93.0(3) . . ?
O104 Co2 Dy1 42.18(16) . . ?
O104 Co2 O2 80.7(2) . . ?
O104 Co2 O5 83.9(2) . . ?
O104 Co2 O6 103.1(3) . . ?
O104 Co2 N4 171.8(3) . . ?
N4 Co2 Dy1 132.4(2) . . ?
N4 Co2 O2 94.1(3) . . ?
N4 Co2 O5 89.2(3) . . ?
N4 Co2 O6 83.1(3) . . ?
C20 O1 Dy2 124.8(7) . . ?
C21 O1 Dy2 119.3(6) . . ?
C21 O1 C20 115.2(8) . . ?
Co1 O2 Dy2 98.0(2) . . ?
Co1 O2 Co2 98.5(3) . . ?
Co2 O2 Dy2 98.6(2) . . ?
C26 O2 Dy2 118.9(6) . . ?
C26 O2 Co1 123.3(6) . . ?
C26 O2 Co2 114.9(5) . . ?
C32 O3 Co1 104.4(7) . . ?
C1 O4 Dy1 123.6(5) . . ?
C2 O4 Dy1 120.4(5) . . ?
C2 O4 C1 115.8(7) . . ?
Co1 O5 Dy1 99.7(2) . . ?
Co2 O5 Dy1 98.7(2) . . ?
Co2 O5 Co1 98.5(2) . . ?
C7 O5 Dy1 121.4(5) . . ?
C7 O5 Co1 112.8(5) . . ?
C7 O5 Co2 121.4(5) . . ?
C13 O6 Co2 107.0(6) . . ?
Dy1 O6AA Dy2 109.9(2) . . ?
Dy1 O6AA H6AA 112.4 . . ?
Dy2 O6AA H6AA 112.4 . . ?
Co1 O6AA Dy1 108.3(2) . . ?
Co1 O6AA Dy2 100.7(2) . . ?
Co1 O6AA H6AA 112.4 . . ?
C38 O7 Dy2 143.6(7) . . ?
C38 O8 Dy1 136.2(6) 2_546 . ?
C43 O9 Dy2 139.3(7) . . ?
C43 O10 Dy1 138.2(6) . 2_546 ?
C53 O11 Dy1 138.8(7) . . ?
C53 O12 Co2 128.2(8) . . ?
C48 O13 Co1 123.7(7) . . ?
C48 O14 Dy2 137.7(7) . . ?
Dy1 O15 Dy2 133.3(3) . 2_546 ?
Dy1 O104 Dy2 109.6(2) . . ?
Dy1 O104 H104 112.2 . . ?
Dy2 O104 H104 112.2 . . ?
Co2 O104 Dy1 102.3(2) . . ?
Co2 O104 Dy2 107.9(3) . . ?
Co2 O104 H104 112.2 . . ?
C27 N1 Co1 127.1(8) . . ?
C27 N1 C28 123.2(9) . . ?
C28 N1 Co1 108.7(7) . . ?
N3 N2 C32 107.5(10) . . ?
N3 N2 C33 119.9(8) . . ?
C32 N2 C33 125.3(9) . . ?
N2 N3 C29 108.8(9) . . ?
N2 N3 C31 118.0(10) . . ?
C29 N3 C31 117.9(11) . . ?
C8 N4 Co2 127.5(7) . . ?
C8 N4 C9 123.7(9) . . ?
C9 N4 Co2 108.2(6) . . ?
N6 N5 C14 119.8(12) . . ?
C13 N5 N6 110.6(10) . . ?
C13 N5 C14 123.9(10) . . ?
N5 N6 C10 105.6(11) . . ?
N5 N6 C157 113.4(13) . . ?
C10 N6 C157 121.3(12) . . ?
O4 C1 H1A 109.5 . . ?
O4 C1 H1B 109.5 . . ?
O4 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O4 C2 C7 113.8(7) . . ?
C3 C2 O4 127.1(9) . . ?
C3 C2 C7 119.0(9) . . ?
C2 C3 H3 118.6 . . ?
C4 C3 C2 122.8(10) . . ?
C4 C3 H3 118.6 . . ?
C3 C4 H4 120.3 . . ?
C3 C4 C5 119.4(9) . . ?
C5 C4 H4 120.3 . . ?
C33 C4BA H4BA 119.6 . . ?
C33 C4BA C37 120.7(11) . . ?
C37 C4BA H4BA 119.6 . . ?
C4 C5 H5 119.4 . . ?
C4 C5 C6 121.3(9) . . ?
C6 C5 H5 119.4 . . ?
C5 C6 C7 118.2(9) . . ?
C5 C6 C8 115.9(9) . . ?
C7 C6 C8 125.8(8) . . ?
O5 C7 C2 116.8(8) . . ?
O5 C7 C6 124.7(8) . . ?
C2 C7 C6 118.5(8) . . ?
N4 C8 C6 123.3(9) . . ?
N4 C8 H8 118.3 . . ?
C6 C8 H8 118.3 . . ?
N4 C9 C13 115.4(11) . . ?
C10 C9 N4 136.7(12) . . ?
C10 C9 C13 107.7(12) . . ?
N6 C10 C11 118.7(13) . . ?
C9 C10 N6 109.5(12) . . ?
C9 C10 C11 131.7(14) . . ?
C10 C11 H11P 109.5 . . ?
C10 C11 H11Q 109.5 . . ?
C10 C11 H11R 109.5 . . ?
H11P C11 H11Q 109.5 . . ?
H11P C11 H11R 109.5 . . ?
H11Q C11 H11R 109.5 . . ?
O6 C13 N5 127.7(10) . . ?
O6 C13 C9 126.2(11) . . ?
N5 C13 C9 105.9(11) . . ?
C15 C14 N5 119.9(13) . . ?
C19 C14 N5 119.6(14) . . ?
C19 C14 C15 120.3(12) . . ?
C14 C15 H15 121.8 . . ?
C16 C15 C14 116.5(14) . . ?
C16 C15 H15 121.8 . . ?
C15 C16 H16 118.1 . . ?
C17 C16 C15 123.9(16) . . ?
C17 C16 H16 118.1 . . ?
C16 C17 H17 120.1 . . ?
C16 C17 C18 119.8(13) . . ?
C18 C17 H17 120.1 . . ?
C17 C18 H18 120.1 . . ?
C17 C18 C19 119.7(14) . . ?
C19 C18 H18 120.1 . . ?
C14 C19 C18 119.7(14) . . ?
C14 C19 H19 120.1 . . ?
C18 C19 H19 120.1 . . ?
O1 C20 H20A 109.5 . . ?
O1 C20 H20B 109.5 . . ?
O1 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 O1 124.5(10) . . ?
C22 C21 C26 123.1(11) . . ?
C26 C21 O1 112.3(9) . . ?
C21 C22 H22 120.5 . . ?
C21 C22 C23 119.0(12) . . ?
C23 C22 H22 120.5 . . ?
C22 C23 H23 119.1 . . ?
C22 C23 C24 121.7(14) . . ?
C24 C23 H23 119.1 . . ?
C23 C24 H24 121.1 . . ?
C23 C24 C25 117.8(13) . . ?
C25 C24 H24 121.1 . . ?
C24 C25 C27 112.3(12) . . ?
C26 C25 C24 119.3(12) . . ?
C26 C25 C27 128.3(10) . . ?
O2 C26 C21 117.6(9) . . ?
O2 C26 C25 123.6(9) . . ?
C25 C26 C21 118.8(10) . . ?
N1 C27 C25 121.0(11) . . ?
N1 C27 H27 119.5 . . ?
C25 C27 H27 119.5 . . ?
C29 C28 N1 137.7(12) . . ?
C32 C28 N1 113.9(9) . . ?
C32 C28 C29 108.4(11) . . ?
N3 C29 C28 106.4(11) . . ?
N3 C29 C30 123.0(11) . . ?
C28 C29 C30 130.3(13) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
N3 C31 H31A 109.5 . . ?
N3 C31 H31B 109.5 . . ?
N3 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
O3 C32 N2 122.2(11) . . ?
O3 C32 C28 129.8(10) . . ?
C28 C32 N2 108.0(9) . . ?
C4BA C33 N2 119.0(10) . . ?
C4BA C33 C34 120.3(12) . . ?
C34 C33 N2 120.6(10) . . ?
C33 C34 H34 121.3 . . ?
C33 C34 C35 117.3(11) . . ?
C35 C34 H34 121.3 . . ?
C34 C35 H35 119.7 . . ?
C36 C35 C34 120.5(12) . . ?
C36 C35 H35 119.7 . . ?
C35 C36 H36 119.5 . . ?
C35 C36 C37 121.1(13) . . ?
C37 C36 H36 119.5 . . ?
C4BA C37 H37 120.0 . . ?
C36 C37 C4BA 119.9(12) . . ?
C36 C37 H37 120.0 . . ?
O7 C38 C39 116.0(10) . . ?
O8 C38 O7 125.8(9) 2_546 . ?
O8 C38 C39 118.2(9) 2_546 . ?
C40 C39 C38 110.3(9) . . ?
C41 C39 C38 107.5(9) . . ?
C41 C39 C40 111.0(11) . . ?
C42 C39 C38 106.6(10) . . ?
C42 C39 C40 109.4(12) . . ?
C42 C39 C41 112.0(8) . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C39 C41 H41A 109.5 . . ?
C39 C41 H41B 109.5 . . ?
C39 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C39 C42 H42A 109.5 . . ?
C39 C42 H42B 109.5 . . ?
C39 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
O9 C43 O10 126.5(10) . . ?
O9 C43 C44 117.6(10) . . ?
O10 C43 C44 115.7(10) . . ?
C45 C44 C43 107.0(12) . . ?
C46 C44 C43 109.1(11) . . ?
C46 C44 C45 107(2) . . ?
C46 C44 C47 119(2) . . ?
C47 C44 C43 108.7(10) . . ?
C47 C44 C45 105.6(17) . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C44 C46 H46A 109.5 . . ?
C44 C46 H46B 109.5 . . ?
C44 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C44 C47 H47A 109.5 . . ?
C44 C47 H47B 109.5 . . ?
C44 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
O13 C48 O14 127.8(10) . . ?
O13 C48 C49 111.8(14) . . ?
O14 C48 C49 120.3(13) . . ?
C48 C49 C51 96.9(16) . . ?
C50 C49 C48 113.9(15) . . ?
C50 C49 C51 91(2) . . ?
C52 C49 C48 115.4(17) . . ?
C52 C49 C50 128.4(18) . . ?
C52 C49 C51 97(2) . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C49 C51 H51A 109.5 . . ?
C49 C51 H51B 109.5 . . ?
C49 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C49 C52 H52A 109.5 . . ?
C49 C52 H52B 109.5 . . ?
C49 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
O11 C53 C54 114.6(14) . . ?
O12 C53 O11 122.9(11) . . ?
O12 C53 C54 122.0(13) . . ?
C53 C54 C58 96.4(13) . . ?
C56 C54 C53 117.5(13) . . ?
C56 C54 C57 128.3(14) . . ?
C56 C54 C58 88.8(14) . . ?
C57 C54 C53 112.5(11) . . ?
C57 C54 C58 97.7(14) . . ?
C54 C56 H56A 109.5 . . ?
C54 C56 H56B 109.5 . . ?
C54 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C54 C57 H57A 109.5 . . ?
C54 C57 H57B 109.5 . . ?
C54 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C54 C58 H58A 109.5 . . ?
C54 C58 H58B 109.5 . . ?
C54 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
N6 C157 H15A 109.5 . . ?
N6 C157 H15B 109.5 . . ?
N6 C157 H15C 109.5 . . ?
H15A C157 H15B 109.5 . . ?
H15A C157 H15C 109.5 . . ?
H15B C157 H15C 109.5 . . ?
O33 Dy5 O34 76.1(2) . . ?
O33 Dy5 O35 81.9(3) . . ?
O33 Dy5 O38 77.3(3) . . ?
O33 Dy5 O39 128.6(2) . . ?
O33 Dy5 O40 87.2(3) . . ?
O33 Dy5 O41 133.6(2) . . ?
O33 Dy5 O42 156.8(2) . . ?
O33 Dy5 C137 77.3(3) . . ?
O33 Dy5 C142 109.0(3) . . ?
O33 Dy5 C152 102.5(3) . . ?
O33 Dy5 O44 93.6(3) . . ?
O34 Dy5 O39 146.1(2) . . ?
O34 Dy5 O41 121.1(2) . . ?
O34 Dy5 C137 26.5(3) . . ?
O34 Dy5 C142 127.3(2) . . ?
O34 Dy5 C152 149.7(2) . . ?
O35 Dy5 O34 52.8(2) . . ?
O35 Dy5 O38 152.7(2) . . ?
O35 Dy5 O39 140.9(3) . . ?
O35 Dy5 O41 79.0(3) . . ?
O35 Dy5 C137 26.4(3) . . ?
O35 Dy5 C142 75.4(3) . . ?
O35 Dy5 C152 157.4(3) . . ?
O38 Dy5 O34 135.7(2) . . ?
O38 Dy5 O39 52.0(2) . . ?
O38 Dy5 O41 102.9(2) . . ?
O38 Dy5 C137 153.3(3) . . ?
O38 Dy5 C142 94.7(3) . . ?
O38 Dy5 C152 25.6(3) . . ?
O39 Dy5 O41 62.3(2) . . ?
O39 Dy5 C137 154.1(3) . . ?
O39 Dy5 C142 71.6(2) . . ?
O39 Dy5 C152 26.4(3) . . ?
O40 Dy5 O34 130.8(3) . . ?
O40 Dy5 O35 79.5(3) . . ?
O40 Dy5 O38 82.0(3) . . ?
O40 Dy5 O39 78.6(3) . . ?
O40 Dy5 O41 48.0(3) . . ?
O40 Dy5 C137 105.1(3) . . ?
O40 Dy5 C142 23.3(3) . . ?
O40 Dy5 C152 78.6(3) . . ?
O41 Dy5 C142 25.0(3) . . ?
O42 Dy5 O34 81.0(3) . . ?
O42 Dy5 O35 87.0(3) . . ?
O42 Dy5 O38 118.5(3) . . ?
O42 Dy5 O39 71.3(2) . . ?
O42 Dy5 O40 110.7(3) . . ?
O42 Dy5 O41 62.7(2) . . ?
O42 Dy5 C137 83.6(3) . . ?
O42 Dy5 C142 87.4(3) . . ?
O42 Dy5 C152 95.6(3) . . ?
C137 Dy5 O41 100.7(3) . . ?
C137 Dy5 C142 101.4(3) . . ?
C137 Dy5 C152 176.2(3) . . ?
C152 Dy5 O41 82.2(3) . . ?
C152 Dy5 C142 82.3(3) . . ?
O44 Dy5 O34 69.1(2) . . ?
O44 Dy5 O35 121.2(3) . . ?
O44 Dy5 O38 78.0(3) . . ?
O44 Dy5 O39 84.8(2) . . ?
O44 Dy5 O40 159.3(3) . . ?
O44 Dy5 O41 132.3(3) . . ?
O44 Dy5 O42 74.9(3) . . ?
O44 Dy5 C137 95.2(3) . . ?
O44 Dy5 C142 154.2(3) . . ?
O44 Dy5 C152 81.0(3) . . ?
Co5 Dy6 Dy5 113.86(3) . 2 ?
O31 Dy6 Dy5 98.05(18) . 2 ?
O31 Dy6 Co5 94.55(15) . . ?
O31 Dy6 N16 86.8(2) . . ?
O32 Dy6 Dy5 124.50(18) . 2 ?
O32 Dy6 Co5 34.36(17) . . ?
O32 Dy6 O31 61.6(2) . . ?
O32 Dy6 O36 79.7(3) . . ?
O32 Dy6 O39 140.5(2) . 2 ?
O32 Dy6 O41 133.2(2) . 2 ?
O32 Dy6 O42 87.6(2) . 2 ?
O32 Dy6 O43 68.4(2) . . ?
O32 Dy6 O48 83.4(2) . . ?
O32 Dy6 O50 129.8(3) . . ?
O32 Dy6 N16 106.7(2) . . ?
O36 Dy6 Dy5 136.2(2) . 2 ?
O36 Dy6 Co5 63.62(18) . . ?
O36 Dy6 O31 125.5(3) . . ?
O36 Dy6 O39 94.9(3) . 2 ?
O36 Dy6 O41 139.4(3) . 2 ?
O36 Dy6 O42 143.9(3) . 2 ?
O36 Dy6 O43 73.0(3) . . ?
O36 Dy6 O48 74.6(3) . . ?
O36 Dy6 O50 68.9(2) . . ?
O36 Dy6 N16 68.4(3) . . ?
O39 Dy6 Dy5 42.32(16) 2 2 ?
O39 Dy6 Co5 108.56(15) 2 . ?
O39 Dy6 O31 139.4(2) 2 . ?
O39 Dy6 O41 73.6(3) 2 2 ?
O39 Dy6 O42 73.9(2) 2 2 ?
O39 Dy6 O43 72.6(2) 2 . ?
O39 Dy6 O48 133.3(2) 2 . ?
O39 Dy6 O50 81.9(2) 2 . ?
O39 Dy6 N16 107.4(2) 2 . ?
O41 Dy6 Dy5 51.7(2) 2 2 ?
O41 Dy6 Co5 156.93(19) 2 . ?
O41 Dy6 O31 72.5(2) 2 . ?
O41 Dy6 O43 134.6(3) 2 . ?
O41 Dy6 O48 85.4(3) 2 . ?
O41 Dy6 O50 71.0(3) 2 . ?
O41 Dy6 N16 78.0(3) 2 . ?
O42 Dy6 Dy5 37.29(17) 2 2 ?
O42 Dy6 Co5 87.1(2) 2 . ?
O42 Dy6 O31 74.5(3) 2 . ?
O42 Dy6 O41 71.2(3) 2 2 ?
O42 Dy6 O43 70.9(4) 2 . ?
O42 Dy6 O48 137.7(3) 2 . ?
O42 Dy6 O50 139.5(3) 2 . ?
O42 Dy6 N16 147.6(3) 2 . ?
O43 Dy6 Dy5 82.9(2) . 2 ?
O43 Dy6 Co5 36.57(19) . . ?
O43 Dy6 O31 119.1(3) . . ?
O43 Dy6 O48 140.0(3) . . ?
O43 Dy6 O50 131.5(3) . . ?
O43 Dy6 N16 141.3(3) . . ?
O48 Dy6 Dy5 137.12(18) . 2 ?
O48 Dy6 Co5 106.76(18) . . ?
O48 Dy6 O31 64.8(2) . . ?
O48 Dy6 O50 51.5(2) . . ?
O48 Dy6 N16 26.1(2) . . ?
O50 Dy6 Dy5 105.02(18) . 2 ?
O50 Dy6 Co5 131.94(18) . . ?
O50 Dy6 O31 107.2(2) . . ?
O50 Dy6 N16 25.5(2) . . ?
N16 Dy6 Dy5 124.15(19) . 2 ?
N16 Dy6 Co5 121.19(19) . . ?
H1FA_b C1F_b H1FB_b 109.5 . . ?
H1FA_b C1F_b H1FC_b 109.5 . . ?
H1FB_b C1F_b H1FC_b 109.5 . . ?
C143 C1F_b H1FA_b 109.5 . . ?
C143 C1F_b H1FB_b 109.5 . . ?
C143 C1F_b H1FC_b 109.5 . . ?
Dy5 Dy7 Dy6 116.35(3) . . ?
O42 Dy7 Dy5 35.3(2) . . ?
O42 Dy7 Dy6 150.1(2) . . ?
O42 Dy7 O45 88.0(4) . . ?
O42 Dy7 O44 72.3(3) . . ?
O43 Dy7 Dy5 94.9(2) . . ?
O43 Dy7 Dy6 34.2(2) . . ?
O43 Dy7 O42 120.4(3) . . ?
O43 Dy7 O45 83.7(4) . . ?
O43 Dy7 O44 73.9(3) . . ?
O45 Dy7 Dy5 110.3(3) . . ?
O45 Dy7 Dy6 100.1(3) . . ?
O45 Dy7 O44 135.9(3) . . ?
O44 Dy7 Dy5 37.70(15) . . ?
O44 Dy7 Dy6 82.24(15) . . ?
O32 Co5 Dy6 39.61(19) . . ?
O32 Co5 O34 165.4(3) . . ?
O32 Co5 O43 79.6(3) . . ?
O32 Co5 N13 89.6(3) . . ?
O32 Co5 O44 88.8(3) . . ?
O34 Co5 Dy6 135.7(2) . . ?
O34 Co5 O44 77.7(3) . . ?
O37 Co5 Dy6 84.9(2) . . ?
O37 Co5 O32 96.7(3) . . ?
O37 Co5 O34 96.2(3) . . ?
O37 Co5 O43 94.2(4) . . ?
O37 Co5 N13 89.1(3) . . ?
O37 Co5 O44 172.5(3) . . ?
O43 Co5 Dy6 43.1(2) . . ?
O43 Co5 O34 92.9(3) . . ?
O43 Co5 N13 169.1(4) . . ?
O43 Co5 O44 81.8(4) . . ?
N13 Co5 Dy6 127.1(3) . . ?
N13 Co5 O34 97.2(3) . . ?
N13 Co5 O44 96.1(3) . . ?
O44 Co5 Dy6 96.3(2) . . ?
C118 O31 Dy6 129.5(6) . . ?
C119 O31 Dy6 114.3(6) . . ?
C119 O31 C118 114.0(8) . . ?
Co5 O32 Dy6 106.0(3) . . ?
C124 O32 Dy6 126.4(6) . . ?
C124 O32 Co5 126.8(6) . . ?
C130 O33 Dy5 137.4(6) . . ?
Co5 O34 Dy5 101.5(3) . . ?
C137 O34 Dy5 92.3(6) . . ?
C137 O34 Co5 165.2(8) . . ?
C137 O35 Dy5 94.7(6) . . ?
C147 O36 Dy6 141.0(7) . . ?
C147 O37 Co5 123.6(8) . . ?
C152 O38 Dy5 96.2(6) . . ?
Dy6 O39 Dy5 99.1(2) 2 . ?
C152 O39 Dy5 92.7(7) . . ?
C152 O39 Dy6 168.2(7) . 2 ?
C142 O40 Dy5 108.8(7) . . ?
Dy6 O41 Dy5 88.2(3) 2 . ?
C142 O41 Dy5 80.2(8) . . ?
C142 O41 Dy6 146.3(7) . 2 ?
Dy5 O42 Dy6 104.4(3) . 2 ?
Dy7 O42 Dy5 112.8(4) . . ?
Dy7 O42 Dy6 114.7(4) . 2 ?
Dy7 O43 Dy6 118.1(5) . . ?
Dy7 O43 Co5 110.7(4) . . ?
Co5 O43 Dy6 100.3(3) . . ?
N17 O45 Dy7 133.1(10) . . ?
N16 O48 Dy6 97.1(6) . . ?
N16 O50 Dy6 94.3(5) . . ?
C125 N13 Co5 123.1(8) . . ?
C125 N13 C126 118.6(9) . . ?
C126 N13 Co5 118.1(7) . . ?
N15 N14 C12_b 126.0(11) . . ?
N15 N14 C130 109.1(9) . . ?
N15 N14 C131_a 114.4(11) . . ?
C130 N14 C12_b 123.0(11) . . ?
C130 N14 C131_a 124.4(11) . . ?
N14 N15 C127 108.7(10) . . ?
N14 N15 C129 118.5(12) . . ?
C127 N15 C129 124.3(12) . . ?
O48 N16 Dy6 56.8(5) . . ?
O49 N16 Dy6 176.3(8) . . ?
O49 N16 O48 121.6(9) . . ?
O49 N16 O50 121.6(8) . . ?
O50 N16 Dy6 60.1(5) . . ?
O50 N16 O48 116.8(8) . . ?
O45 N17 O46 123.2(13) . . ?
O45 N17 O47 117.6(12) . . ?
O46 N17 O47 118.7(13) . . ?
C1E_b C12_b N14 113.3(12) . . ?
C1E_b C12_b C1A_b 120.0 . . ?
C1A_b C12_b N14 126.7(12) . . ?
C12_b C1E_b H1E_b 120.0 . . ?
C1D_b C1E_b C12_b 120.0 . . ?
C1D_b C1E_b H1E_b 120.0 . . ?
C1E_b C1D_b H1D_b 120.0 . . ?
C1E_b C1D_b C1C_b 120.0 . . ?
C1C_b C1D_b H1D_b 120.0 . . ?
C1D_b C1C_b H1CA_b 120.0 . . ?
C1B_b C1C_b C1D_b 120.0 . . ?
C1B_b C1C_b H1CA_b 120.0 . . ?
C1C_b C1B_b H1BB_b 120.0 . . ?
C1C_b C1B_b C1A_b 120.0 . . ?
C1A_b C1B_b H1BB_b 120.0 . . ?
C12_b C1A_b H1AA_b 120.0 . . ?
C1B_b C1A_b C12_b 120.0 . . ?
C1B_b C1A_b H1AA_b 120.0 . . ?
O31 C118 H11S 109.5 . . ?
O31 C118 H11T 109.5 . . ?
O31 C118 H11U 109.5 . . ?
H11S C118 H11T 109.5 . . ?
H11S C118 H11U 109.5 . . ?
H11T C118 H11U 109.5 . . ?
O31 C119 C124 111.8(8) . . ?
C120 C119 O31 127.8(12) . . ?
C120 C119 C124 120.4(12) . . ?
C119 C120 H120 119.1 . . ?
C119 C120 C121 121.8(14) . . ?
C121 C120 H120 119.1 . . ?
C120 C121 H121 120.9 . . ?
C122 C121 C120 118.2(12) . . ?
C122 C121 H121 120.9 . . ?
C121 C122 H122 118.9 . . ?
C121 C122 C123 122.1(13) . . ?
C123 C122 H122 118.9 . . ?
C124 C123 C122 118.7(12) . . ?
C124 C123 C125 123.5(11) . . ?
C125 C123 C122 117.5(11) . . ?
O32 C124 C119 115.9(9) . . ?
O32 C124 C123 125.6(10) . . ?
C123 C124 C119 118.5(10) . . ?
N13 C125 C123 130.5(11) . . ?
N13 C125 H125 114.8 . . ?
C123 C125 H125 114.8 . . ?
C127 C126 N13 129.4(11) . . ?
C127 C126 C130 107.7(11) . . ?
C130 C126 N13 122.9(10) . . ?
N15 C127 C126 108.2(12) . . ?
N15 C127 C128 124.9(12) . . ?
C126 C127 C128 126.9(12) . . ?
C127 C128 H12A 109.5 . . ?
C127 C128 H12B 109.5 . . ?
C127 C128 H12C 109.5 . . ?
H12A C128 H12B 109.5 . . ?
H12A C128 H12C 109.5 . . ?
H12B C128 H12C 109.5 . . ?
N15 C129 H12D 109.5 . . ?
N15 C129 H12E 109.5 . . ?
N15 C129 H12F 109.5 . . ?
H12D C129 H12E 109.5 . . ?
H12D C129 H12F 109.5 . . ?
H12E C129 H12F 109.5 . . ?
O33 C130 N14 123.0(10) . . ?
O33 C130 C126 130.9(10) . . ?
N14 C130 C126 106.0(10) . . ?
C135_a C134_a H134_a 120.0 . . ?
C135_a C134_a C133_a 120.0 . . ?
C133_a C134_a H134_a 120.0 . . ?
C134_a C135_a H135_a 120.0 . . ?
C134_a C135_a C136_a 120.0 . . ?
C136_a C135_a H135_a 120.0 . . ?
C135_a C136_a H136_a 120.0 . . ?
C131_a C136_a C135_a 120.0 . . ?
C131_a C136_a H136_a 120.0 . . ?
C136_a C131_a N14 110.5(11) . . ?
C132_a C131_a N14 129.5(11) . . ?
C132_a C131_a C136_a 120.0 . . ?
C131_a C132_a H132_a 120.0 . . ?
C131_a C132_a C133_a 120.0 . . ?
C133_a C132_a H132_a 120.0 . . ?
C134_a C133_a H133_a 120.0 . . ?
C132_a C133_a C134_a 120.0 . . ?
C132_a C133_a H133_a 120.0 . . ?
O34 C137 Dy5 61.2(5) . . ?
O34 C137 C138 118.4(10) . . ?
O35 C137 Dy5 58.9(5) . . ?
O35 C137 O34 120.1(10) . . ?
O35 C137 C138 121.5(10) . . ?
C138 C137 Dy5 178.0(8) . . ?
C137 C138 C141 106.7(10) . . ?
C139 C138 C137 110.7(9) . . ?
C139 C138 C141 110.4(10) . . ?
C140 C138 C137 106.9(9) . . ?
C140 C138 C139 111.7(12) . . ?
C140 C138 C141 110.2(11) . . ?
C138 C139 H13A 109.5 . . ?
C138 C139 H13B 109.5 . . ?
C138 C139 H13C 109.5 . . ?
H13A C139 H13B 109.5 . . ?
H13A C139 H13C 109.5 . . ?
H13B C139 H13C 109.5 . . ?
C138 C140 H14A 109.5 . . ?
C138 C140 H14B 109.5 . . ?
C138 C140 H14C 109.5 . . ?
H14A C140 H14B 109.5 . . ?
H14A C140 H14C 109.5 . . ?
H14B C140 H14C 109.5 . . ?
C138 C141 H14D 109.5 . . ?
C138 C141 H14E 109.5 . . ?
C138 C141 H14F 109.5 . . ?
H14D C141 H14E 109.5 . . ?
H14D C141 H14F 109.5 . . ?
H14E C141 H14F 109.5 . . ?
O40 C142 Dy5 47.9(6) . . ?
O40 C142 O41 121.6(11) . . ?
O40 C142 C143 118.8(10) . . ?
O41 C142 Dy5 74.8(7) . . ?
O41 C142 C143 119.6(12) . . ?
C143 C142 Dy5 161.6(8) . . ?
C142 C143 C1F_b 96.5(19) . . ?
C142 C143 C146 102.7(9) . . ?
C144 C143 C1F_b 93(2) . . ?
C144 C143 C142 115.8(11) . . ?
C144 C143 C145_a 117.1(12) . . ?
C144 C143 C146 109.3(11) . . ?
C145_a C143 C142 111.2(11) . . ?
C145_a C143 C146 98.1(14) . . ?
C146 C143 C1F_b 140(2) . . ?
C143 C144 H14G 109.5 . . ?
C143 C144 H14H 109.5 . . ?
C143 C144 H14I 109.5 . . ?
H14G C144 H14H 109.5 . . ?
H14G C144 H14I 109.5 . . ?
H14H C144 H14I 109.5 . . ?
C143 C145_a H14J_a 109.5 . . ?
C143 C145_a H14K_a 109.5 . . ?
C143 C145_a H14L_a 109.5 . . ?
H14J_a C145_a H14K_a 109.5 . . ?
H14J_a C145_a H14L_a 109.5 . . ?
H14K_a C145_a H14L_a 109.5 . . ?
C143 C146 H14M 109.5 . . ?
C143 C146 H14N 109.5 . . ?
C143 C146 H14O 109.5 . . ?
H14M C146 H14N 109.5 . . ?
H14M C146 H14O 109.5 . . ?
H14N C146 H14O 109.5 . . ?
O36 C147 C148 116.2(10) . . ?
O37 C147 O36 125.1(11) . . ?
O37 C147 C148 118.7(11) . . ?
C147 C148 C150 104.8(13) . . ?
C149 C148 C147 111.8(13) . . ?
C149 C148 C150 106.1(17) . . ?
C149 C148 C151 119.4(15) . . ?
C151 C148 C147 108.6(13) . . ?
C151 C148 C150 105.0(15) . . ?
C148 C149 H14P 109.5 . . ?
C148 C149 H14Q 109.5 . . ?
C148 C149 H14R 109.5 . . ?
H14P C149 H14Q 109.5 . . ?
H14P C149 H14R 109.5 . . ?
H14Q C149 H14R 109.5 . . ?
C148 C150 H15D 109.5 . . ?
C148 C150 H15E 109.5 . . ?
C148 C150 H15F 109.5 . . ?
H15D C150 H15E 109.5 . . ?
H15D C150 H15F 109.5 . . ?
H15E C150 H15F 109.5 . . ?
C148 C151 H15G 109.5 . . ?
C148 C151 H15H 109.5 . . ?
C148 C151 H15I 109.5 . . ?
H15G C151 H15H 109.5 . . ?
H15G C151 H15I 109.5 . . ?
H15H C151 H15I 109.5 . . ?
O38 C152 Dy5 58.2(5) . . ?
O38 C152 O39 119.1(9) . . ?
O38 C152 C153 121.6(9) . . ?
O39 C152 Dy5 60.9(5) . . ?
O39 C152 C153 119.1(11) . . ?
C153 C152 Dy5 174.0(6) . . ?
C152 C153 C155 106.5(8) . . ?
C154 C153 C152 111.0(10) . . ?
C154 C153 C155 110.9(8) . . ?
C156 C153 C152 109.3(8) . . ?
C156 C153 C154 110.7(10) . . ?
C156 C153 C155 108.3(10) . . ?
C153 C154 H15J 109.5 . . ?
C153 C154 H15K 109.5 . . ?
C153 C154 H15L 109.5 . . ?
H15J C154 H15K 109.5 . . ?
H15J C154 H15L 109.5 . . ?
H15K C154 H15L 109.5 . . ?
C153 C155 H15M 109.5 . . ?
C153 C155 H15N 109.5 . . ?
C153 C155 H15O 109.5 . . ?
H15M C155 H15N 109.5 . . ?
H15M C155 H15O 109.5 . . ?
H15N C155 H15O 109.5 . . ?
C153 C156 H15P 109.5 . . ?
C153 C156 H15Q 109.5 . . ?
C153 C156 H15R 109.5 . . ?
H15P C156 H15Q 109.5 . . ?
H15P C156 H15R 109.5 . . ?
H15Q C156 H15R 109.5 . . ?
Dy5 O44 Dy7 98.5(3) . . ?
Co5 O44 Dy5 107.9(3) . . ?
Co5 O44 Dy7 90.2(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy3 O19 C79 C80 -160.3(7) . . . . ?
Dy3 O19 C79 C84 20.7(9) . . . . ?
Dy3 O20 C84 C79 -31.6(9) . . . . ?
Dy3 O20 C84 C83 151.7(7) . . . . ?
Dy3 O23 C97 O22 -26.6(15) . . . . ?
Dy3 O23 C97 C98 153.6(7) . . . . ?
Dy3 O29 C112 O28 13.2(14) . . . . ?
Dy3 O29 C112 C113 -168.3(7) . . . . ?
Dy4 O16 C60 C61 -164.4(6) . . . . ?
Dy4 O16 C60 C65 16.2(9) . . . . ?
Dy4 O17 C65 C60 -25.3(9) . . . . ?
Dy4 O17 C65 C64 157.1(6) . . . . ?
Dy4 O22 C97 O23 10.1(15) 2_456 . . . ?
Dy4 O22 C97 C98 -170.0(6) 2_456 . . . ?
Dy4 O25 C102 O24 32.9(14) . . . 2_456 ?
Dy4 O25 C102 C103 -144.1(7) . . . . ?
Dy4 O26 C107 O27 20.4(14) . . . . ?
Dy4 O26 C107 C108 -163.6(6) . . . . ?
Co3 O17 C65 C60 92.6(7) . . . . ?
Co3 O17 C65 C64 -85.0(8) . . . . ?
Co3 O20 C84 C79 -152.6(6) . . . . ?
Co3 O20 C84 C83 30.7(10) . . . . ?
Co3 O21 C90 N8 -177.2(7) . . . . ?
Co3 O21 C90 C86 -1.2(10) . . . . ?
Co3 O28 C112 O29 0.3(12) . . . . ?
Co3 O28 C112 C113 -178.2(7) . . . . ?
Co3 N7 C85 C83 -9.4(13) . . . . ?
Co3 N7 C86 C87 171.8(10) . . . . ?
Co3 N7 C86 C90 -1.5(8) . . . . ?
Co4 O17 C65 C60 -149.9(6) . . . . ?
Co4 O17 C65 C64 32.4(10) . . . . ?
Co4 O18 C71 N11 -175.7(7) . . . . ?
Co4 O18 C71 C67 1.3(11) . . . . ?
Co4 O20 C84 C79 88.2(7) . . . . ?
Co4 O20 C84 C83 -88.6(9) . . . . ?
Co4 O27 C107 O26 -13.5(12) . . . . ?
Co4 O27 C107 C108 170.6(6) . . . . ?
Co4 N10 C66 C64 -2.5(12) . . . . ?
Co4 N10 C67 C68 169.0(10) . . . . ?
Co4 N10 C67 C71 -2.2(9) . . . . ?
O16 C60 C61 C62 -179.8(8) . . . . ?
O16 C60 C65 O17 5.3(10) . . . . ?
O16 C60 C65 C64 -176.9(7) . . . . ?
O19 C79 C80 C81 -180.0(8) . . . . ?
O19 C79 C84 O20 6.1(11) . . . . ?
O19 C79 C84 C83 -177.0(7) . . . . ?
O22 C97 C98 C99 172.8(9) . . . . ?
O22 C97 C98 C100 -69.5(10) . . . . ?
O22 C97 C98 C101 49.4(11) . . . . ?
O23 C97 C98 C99 -7.3(12) . . . . ?
O23 C97 C98 C100 110.4(9) . . . . ?
O23 C97 C98 C101 -130.7(9) . . . . ?
O24 C102 C103 C104 45.7(11) 2_456 . . . ?
O24 C102 C103 C105 -74.8(11) 2_456 . . . ?
O24 C102 C103 C106 166.8(8) 2_456 . . . ?
O25 C102 C103 C104 -137.1(9) . . . . ?
O25 C102 C103 C105 102.5(11) . . . . ?
O25 C102 C103 C106 -15.9(12) . . . . ?
O26 C107 C108 C109 57.5(11) . . . . ?
O26 C107 C108 C110 -59.4(11) . . . . ?
O26 C107 C108 C111 -178.7(10) . . . . ?
O27 C107 C108 C109 -126.1(9) . . . . ?
O27 C107 C108 C110 116.9(10) . . . . ?
O27 C107 C108 C111 -2.4(13) . . . . ?
O28 C112 C113 C114 -135.8(10) . . . . ?
O28 C112 C113 C115 105.3(12) . . . . ?
O28 C112 C113 C116 -17.0(13) . . . . ?
O29 C112 C113 C114 45.6(13) . . . . ?
O29 C112 C113 C115 -73.3(13) . . . . ?
O29 C112 C113 C116 164.3(9) . . . . ?
N7 C86 C87 N9 -173.2(9) . . . . ?
N7 C86 C87 C88 2.5(19) . . . . ?
N7 C86 C90 O21 2.0(13) . . . . ?
N7 C86 C90 N8 178.6(7) . . . . ?
N8 N9 C87 C86 -3.8(10) . . . . ?
N8 N9 C87 C88 180.0(9) . . . . ?
N8 C91 C92 C93 178.6(8) . . . . ?
N8 C91 C96 C95 -178.8(8) . . . . ?
N9 N8 C90 O21 170.8(8) . . . . ?
N9 N8 C90 C86 -5.8(9) . . . . ?
N9 N8 C91 C92 155.5(8) . . . . ?
N9 N8 C91 C96 -27.3(12) . . . . ?
N10 C67 C68 N12 -172.6(10) . . . . ?
N10 C67 C68 C69 7(2) . . . . ?
N10 C67 C71 O18 0.7(14) . . . . ?
N10 C67 C71 N11 178.0(7) . . . . ?
N11 N12 C68 C67 -3.0(11) . . . . ?
N11 N12 C68 C69 177.0(10) . . . . ?
N11 C72 C73 C74 -175.1(11) . . . . ?
N11 C72 C77 C76 176.3(9) . . . . ?
N12 N11 C71 O18 171.3(8) . . . . ?
N12 N11 C71 C67 -6.2(10) . . . . ?
N12 N11 C72 C73 -27.9(15) . . . . ?
N12 N11 C72 C77 151.6(9) . . . . ?
C59 O16 C60 C61 11.1(11) . . . . ?
C59 O16 C60 C65 -168.3(7) . . . . ?
C60 C61 C62 C63 -2.2(13) . . . . ?
C61 C60 C65 O17 -174.1(7) . . . . ?
C61 C60 C65 C64 3.7(12) . . . . ?
C61 C62 C63 C64 1.7(14) . . . . ?
C62 C63 C64 C65 1.5(13) . . . . ?
C62 C63 C64 C66 -177.3(8) . . . . ?
C63 C64 C65 O17 173.5(7) . . . . ?
C63 C64 C65 C60 -4.1(12) . . . . ?
C63 C64 C66 N10 169.6(8) . . . . ?
C65 C60 C61 C62 -0.5(12) . . . . ?
C65 C64 C66 N10 -9.2(13) . . . . ?
C66 N10 C67 C68 -19.2(16) . . . . ?
C66 N10 C67 C71 169.5(8) . . . . ?
C66 C64 C65 O17 -7.7(13) . . . . ?
C66 C64 C65 C60 174.6(8) . . . . ?
C67 N10 C66 C64 -172.8(8) . . . . ?
C68 C67 C71 O18 -172.9(9) . . . . ?
C68 C67 C71 N11 4.4(10) . . . . ?
C70 N12 C68 C67 -145.3(10) . . . . ?
C70 N12 C68 C69 34.6(16) . . . . ?
C71 N11 N12 C68 5.7(11) . . . . ?
C71 N11 N12 C70 149.9(9) . . . . ?
C71 N11 C72 C73 126.5(11) . . . . ?
C71 N11 C72 C77 -54.1(14) . . . . ?
C71 C67 C68 N12 -0.9(11) . . . . ?
C71 C67 C68 C69 179.2(11) . . . . ?
C72 N11 N12 C68 164.3(9) . . . . ?
C72 N11 N12 C70 -51.5(14) . . . . ?
C72 N11 C71 O18 13.9(15) . . . . ?
C72 N11 C71 C67 -163.5(9) . . . . ?
C72 C73 C74 C75 -3.5(19) . . . . ?
C73 C72 C77 C76 -4.3(16) . . . . ?
C73 C74 C75 C76 0.4(19) . . . . ?
C74 C75 C76 C77 0.7(18) . . . . ?
C75 C76 C77 C72 1.2(16) . . . . ?
C77 C72 C73 C74 5.5(17) . . . . ?
C78 O19 C79 C80 9.7(12) . . . . ?
C78 O19 C79 C84 -169.3(8) . . . . ?
C79 C80 C81 C82 -1.8(15) . . . . ?
C80 C79 C84 O20 -173.0(8) . . . . ?
C80 C79 C84 C83 3.9(13) . . . . ?
C80 C81 C82 C83 1.8(16) . . . . ?
C81 C82 C83 C84 1.1(14) . . . . ?
C81 C82 C83 C85 -178.5(9) . . . . ?
C82 C83 C84 O20 172.7(8) . . . . ?
C82 C83 C84 C79 -3.9(13) . . . . ?
C82 C83 C85 N7 175.2(9) . . . . ?
C84 C79 C80 C81 -1.0(14) . . . . ?
C84 C83 C85 N7 -4.3(15) . . . . ?
C85 N7 C86 C87 -21.1(16) . . . . ?
C85 N7 C86 C90 165.6(8) . . . . ?
C85 C83 C84 O20 -7.8(14) . . . . ?
C85 C83 C84 C79 175.7(9) . . . . ?
C86 N7 C85 C83 -174.5(8) . . . . ?
C87 C86 C90 O21 -173.1(9) . . . . ?
C87 C86 C90 N8 3.4(10) . . . . ?
C89 N9 C87 C86 -132.2(8) . . . . ?
C89 N9 C87 C88 51.6(12) . . . . ?
C90 N8 N9 C87 6.1(9) . . . . ?
C90 N8 N9 C89 136.7(8) . . . . ?
C90 N8 C91 C92 -49.8(13) . . . . ?
C90 N8 C91 C96 127.3(10) . . . . ?
C90 C86 C87 N9 0.4(10) . . . . ?
C90 C86 C87 C88 176.1(10) . . . . ?
C91 N8 N9 C87 164.8(7) . . . . ?
C91 N8 N9 C89 -64.5(10) . . . . ?
C91 N8 C90 O21 14.2(14) . . . . ?
C91 N8 C90 C86 -162.4(8) . . . . ?
C91 C92 C93 C94 -0.1(14) . . . . ?
C92 C91 C96 C95 -1.7(14) . . . . ?
C92 C93 C94 C95 -0.8(15) . . . . ?
C93 C94 C95 C96 0.4(16) . . . . ?
C94 C95 C96 C91 0.8(15) . . . . ?
C96 C91 C92 C93 1.4(14) . . . . ?
Dy1 O4 C2 C3 168.7(8) . . . . ?
Dy1 O4 C2 C7 -15.0(10) . . . . ?
Dy1 O5 C7 C2 22.4(10) . . . . ?
Dy1 O5 C7 C6 -156.4(7) . . . . ?
Dy1 O10 C43 O9 30.5(17) 2_546 . . . ?
Dy1 O10 C43 C44 -144.9(8) 2_546 . . . ?
Dy1 O11 C53 O12 -25.9(17) . . . . ?
Dy1 O11 C53 C54 146.2(9) . . . . ?
Dy2 O1 C21 C22 157.3(8) . . . . ?
Dy2 O1 C21 C26 -21.0(10) . . . . ?
Dy2 O2 C26 C21 29.2(11) . . . . ?
Dy2 O2 C26 C25 -152.8(8) . . . . ?
Dy2 O7 C38 O8 34(2) . . . 2_546 ?
Dy2 O7 C38 C39 -146.5(10) . . . . ?
Dy2 O9 C43 O10 -7.1(17) . . . . ?
Dy2 O9 C43 C44 168.2(7) . . . . ?
Dy2 O14 C48 O13 -20(2) . . . . ?
Dy2 O14 C48 C49 161.3(13) . . . . ?
Co1 O2 C26 C21 152.8(7) . . . . ?
Co1 O2 C26 C25 -29.2(12) . . . . ?
Co1 O3 C32 N2 -179.2(8) . . . . ?
Co1 O3 C32 C28 1.4(13) . . . . ?
Co1 O5 C7 C2 -95.7(8) . . . . ?
Co1 O5 C7 C6 85.4(10) . . . . ?
Co1 O13 C48 O14 5.0(17) . . . . ?
Co1 O13 C48 C49 -176.6(12) . . . . ?
Co1 N1 C27 C25 8.6(15) . . . . ?
Co1 N1 C28 C29 -176.2(13) . . . . ?
Co1 N1 C28 C32 0.9(12) . . . . ?
Co2 O2 C26 C21 -87.3(9) . . . . ?
Co2 O2 C26 C25 90.7(10) . . . . ?
Co2 O5 C7 C2 147.9(7) . . . . ?
Co2 O5 C7 C6 -31.0(12) . . . . ?
Co2 O6 C13 N5 176.1(11) . . . . ?
Co2 O6 C13 C9 1.7(14) . . . . ?
Co2 O12 C53 O11 16.4(16) . . . . ?
Co2 O12 C53 C54 -155.1(10) . . . . ?
Co2 N4 C8 C6 4.2(17) . . . . ?
Co2 N4 C9 C10 -172.6(17) . . . . ?
Co2 N4 C9 C13 2.3(12) . . . . ?
O1 C21 C22 C23 179.9(11) . . . . ?
O1 C21 C26 O2 -4.9(12) . . . . ?
O1 C21 C26 C25 177.0(9) . . . . ?
O4 C2 C3 C4 178.5(10) . . . . ?
O4 C2 C7 O5 -4.3(12) . . . . ?
O4 C2 C7 C6 174.7(8) . . . . ?
O7 C38 C39 C40 7.9(16) . . . . ?
O7 C38 C39 C41 129.1(10) . . . . ?
O7 C38 C39 C42 -110.7(11) . . . . ?
O8 C38 C39 C40 -172.3(12) 2_546 . . . ?
O8 C38 C39 C41 -51.1(13) 2_546 . . . ?
O8 C38 C39 C42 69.1(13) 2_546 . . . ?
O9 C43 C44 C45 31(2) . . . . ?
O9 C43 C44 C46 -84(2) . . . . ?
O9 C43 C44 C47 144.5(14) . . . . ?
O10 C43 C44 C45 -153.3(17) . . . . ?
O10 C43 C44 C46 92(2) . . . . ?
O10 C43 C44 C47 -39.8(17) . . . . ?
O11 C53 C54 C56 37(2) . . . . ?
O11 C53 C54 C57 -129.9(14) . . . . ?
O11 C53 C54 C58 129.0(11) . . . . ?
O12 C53 C54 C56 -150.8(16) . . . . ?
O12 C53 C54 C57 42(2) . . . . ?
O12 C53 C54 C58 -58.8(14) . . . . ?
O13 C48 C49 C50 38(3) . . . . ?
O13 C48 C49 C51 131.8(13) . . . . ?
O13 C48 C49 C52 -127(3) . . . . ?
O14 C48 C49 C50 -144(2) . . . . ?
O14 C48 C49 C51 -49.6(18) . . . . ?
O14 C48 C49 C52 52(3) . . . . ?
N1 C28 C29 N3 174.3(13) . . . . ?
N1 C28 C29 C30 0(3) . . . . ?
N1 C28 C32 O3 -1.7(17) . . . . ?
N1 C28 C32 N2 178.8(9) . . . . ?
N2 N3 C29 C28 8.2(13) . . . . ?
N2 N3 C29 C30 -177.0(11) . . . . ?
N2 C33 C34 C35 -179.2(10) . . . . ?
N3 N2 C32 O3 -171.2(9) . . . . ?
N3 N2 C32 C28 8.3(12) . . . . ?
N3 N2 C33 C4BA -162.2(10) . . . . ?
N3 N2 C33 C34 20.7(14) . . . . ?
N4 C9 C10 N6 171.9(15) . . . . ?
N4 C9 C10 C11 -5(3) . . . . ?
N4 C9 C13 O6 -2.9(18) . . . . ?
N4 C9 C13 N5 -178.3(10) . . . . ?
N5 N6 C10 C9 7.1(19) . . . . ?
N5 N6 C10 C11 -175.9(16) . . . . ?
N5 C14 C15 C16 176.3(12) . . . . ?
N5 C14 C19 C18 -174.7(11) . . . . ?
N6 N5 C13 O6 -168.7(13) . . . . ?
N6 N5 C13 C9 6.6(15) . . . . ?
N6 N5 C14 C15 29.4(18) . . . . ?
N6 N5 C14 C19 -155.8(13) . . . . ?
C1 O4 C2 C3 -7.3(14) . . . . ?
C1 O4 C2 C7 169.0(9) . . . . ?
C2 C3 C4 C5 4.0(17) . . . . ?
C3 C2 C7 O5 172.4(8) . . . . ?
C3 C2 C7 C6 -8.7(14) . . . . ?
C3 C4 C5 C6 -3.8(18) . . . . ?
C4 C5 C6 C7 -2.7(16) . . . . ?
C4 C5 C6 C8 176.4(11) . . . . ?
C4BA C33 C34 C35 3.7(16) . . . . ?
C5 C6 C7 O5 -172.3(9) . . . . ?
C5 C6 C7 C2 8.8(14) . . . . ?
C5 C6 C8 N4 -172.4(11) . . . . ?
C7 C2 C3 C4 2.3(15) . . . . ?
C7 C6 C8 N4 6.6(18) . . . . ?
C8 N4 C9 C10 16(2) . . . . ?
C8 N4 C9 C13 -169.3(11) . . . . ?
C8 C6 C7 O5 8.7(16) . . . . ?
C8 C6 C7 C2 -170.2(10) . . . . ?
C9 N4 C8 C6 174.0(11) . . . . ?
C10 C9 C13 O6 173.4(13) . . . . ?
C10 C9 C13 N5 -2.0(16) . . . . ?
C13 N5 N6 C10 -8.5(17) . . . . ?
C13 N5 N6 C157 -143.6(14) . . . . ?
C13 N5 C14 C15 -121.4(15) . . . . ?
C13 N5 C14 C19 53.5(18) . . . . ?
C13 C9 C10 N6 -3.2(19) . . . . ?
C13 C9 C10 C11 -179.7(19) . . . . ?
C14 N5 N6 C10 -162.8(13) . . . . ?
C14 N5 N6 C157 62.0(19) . . . . ?
C14 N5 C13 O6 -16(2) . . . . ?
C14 N5 C13 C9 159.7(13) . . . . ?
C14 C15 C16 C17 -4(2) . . . . ?
C15 C14 C19 C18 0.2(19) . . . . ?
C15 C16 C17 C18 5(2) . . . . ?
C16 C17 C18 C19 -3(2) . . . . ?
C17 C18 C19 C14 0(2) . . . . ?
C19 C14 C15 C16 1.4(19) . . . . ?
C20 O1 C21 C22 -13.5(14) . . . . ?
C20 O1 C21 C26 168.3(9) . . . . ?
C21 C22 C23 C24 5(2) . . . . ?
C22 C21 C26 O2 176.8(9) . . . . ?
C22 C21 C26 C25 -1.3(15) . . . . ?
C22 C23 C24 C25 -4(2) . . . . ?
C23 C24 C25 C26 0.7(19) . . . . ?
C23 C24 C25 C27 177.7(12) . . . . ?
C24 C25 C26 O2 -176.1(10) . . . . ?
C24 C25 C26 C21 1.9(15) . . . . ?
C24 C25 C27 N1 -172.8(11) . . . . ?
C26 C21 C22 C23 -2.1(17) . . . . ?
C26 C25 C27 N1 3.8(18) . . . . ?
C27 N1 C28 C29 14(2) . . . . ?
C27 N1 C28 C32 -169.0(10) . . . . ?
C27 C25 C26 O2 7.5(17) . . . . ?
C27 C25 C26 C21 -174.5(10) . . . . ?
C28 N1 C27 C25 176.6(10) . . . . ?
C29 C28 C32 O3 176.3(10) . . . . ?
C29 C28 C32 N2 -3.2(13) . . . . ?
C31 N3 C29 C28 146.0(10) . . . . ?
C31 N3 C29 C30 -39.2(17) . . . . ?
C32 N2 N3 C29 -10.2(12) . . . . ?
C32 N2 N3 C31 -148.1(10) . . . . ?
C32 N2 C33 C4BA 51.4(14) . . . . ?
C32 N2 C33 C34 -125.8(11) . . . . ?
C32 C28 C29 N3 -2.9(13) . . . . ?
C32 C28 C29 C30 -177.2(13) . . . . ?
C33 N2 N3 C29 -162.0(9) . . . . ?
C33 N2 N3 C31 60.1(14) . . . . ?
C33 N2 C32 O3 -21.4(15) . . . . ?
C33 N2 C32 C28 158.2(10) . . . . ?
C33 C4BA C37 C36 -1.5(19) . . . . ?
C33 C34 C35 C36 -4.2(19) . . . . ?
C34 C35 C36 C37 2(2) . . . . ?
C35 C36 C37 C4BA 1.0(19) . . . . ?
C37 C4BA C33 N2 -178.1(10) . . . . ?
C37 C4BA C33 C34 -0.9(17) . . . . ?
C157 N6 C10 C9 137.8(18) . . . . ?
C157 N6 C10 C11 -45(3) . . . . ?
Dy5 O33 C130 N14 -121.0(9) . . . . ?
Dy5 O33 C130 C126 62.8(17) . . . . ?
Dy5 O34 C137 O35 1.4(11) . . . . ?
Dy5 O34 C137 C138 -177.7(9) . . . . ?
Dy5 O35 C137 O34 -1.5(11) . . . . ?
Dy5 O35 C137 C138 177.7(9) . . . . ?
Dy5 O38 C152 O39 -2.3(9) . . . . ?
Dy5 O38 C152 C153 173.0(8) . . . . ?
Dy5 O39 C152 O38 2.2(9) . . . . ?
Dy5 O39 C152 C153 -173.2(7) . . . . ?
Dy5 O40 C142 O41 -14.2(12) . . . . ?
Dy5 O40 C142 C143 164.3(7) . . . . ?
Dy5 O41 C142 O40 10.9(9) . . . . ?
Dy5 O41 C142 C143 -167.7(9) . . . . ?
Dy5 C142 C143 C1F_b -40(3) . . . . ?
Dy5 C142 C143 C144 -137(2) . . . . ?
Dy5 C142 C143 C145_a 0(3) . . . . ?
Dy5 C142 C143 C146 104(2) . . . . ?
Dy6 O31 C119 C120 156.8(10) . . . . ?
Dy6 O31 C119 C124 -23.1(10) . . . . ?
Dy6 O32 C124 C119 26.6(13) . . . . ?
Dy6 O32 C124 C123 -156.0(8) . . . . ?
Dy6 O36 C147 O37 21(2) . . . . ?
Dy6 O36 C147 C148 -157.8(11) . . . . ?
Dy6 O39 C152 Dy5 175(3) 2 . . . ?
Dy6 O39 C152 O38 177(2) 2 . . . ?
Dy6 O39 C152 C153 2(3) 2 . . . ?
Dy6 O41 C142 Dy5 -71.6(14) 2 . . . ?
Dy6 O41 C142 O40 -60.7(19) 2 . . . ?
Dy6 O41 C142 C143 120.7(14) 2 . . . ?
Dy6 O48 N16 O49 -176.1(9) . . . . ?
Dy6 O48 N16 O50 4.9(9) . . . . ?
Dy6 O50 N16 O48 -4.7(9) . . . . ?
Dy6 O50 N16 O49 176.2(9) . . . . ?
Dy7 O45 N17 O46 -167.9(11) . . . . ?
Dy7 O45 N17 O47 4(2) . . . . ?
Co5 O32 C124 C119 -165.0(7) . . . . ?
Co5 O32 C124 C123 12.4(15) . . . . ?
Co5 O34 C137 Dy5 158(3) . . . . ?
Co5 O34 C137 O35 160(2) . . . . ?
Co5 O34 C137 C138 -19(3) . . . . ?
Co5 O37 C147 O36 -8.2(18) . . . . ?
Co5 O37 C147 C148 170.1(11) . . . . ?
Co5 N13 C125 C123 6.3(17) . . . . ?
Co5 N13 C126 C127 114.5(12) . . . . ?
Co5 N13 C126 C130 -67.4(11) . . . . ?
O31 C119 C120 C121 178.4(12) . . . . ?
O31 C119 C124 O32 2.3(13) . . . . ?
O31 C119 C124 C123 -175.3(9) . . . . ?
O34 C137 C138 C139 -55.7(15) . . . . ?
O34 C137 C138 C140 66.2(13) . . . . ?
O34 C137 C138 C141 -175.9(10) . . . . ?
O35 C137 C138 C139 125.1(12) . . . . ?
O35 C137 C138 C140 -112.9(13) . . . . ?
O35 C137 C138 C141 5.0(15) . . . . ?
O36 C147 C148 C149 -152.4(16) . . . . ?
O36 C147 C148 C150 93.1(14) . . . . ?
O36 C147 C148 C151 -19(2) . . . . ?
O37 C147 C148 C149 29(2) . . . . ?
O37 C147 C148 C150 -85.4(16) . . . . ?
O37 C147 C148 C151 162.9(14) . . . . ?
O38 C152 C153 C154 11.4(13) . . . . ?
O38 C152 C153 C155 -109.4(10) . . . . ?
O38 C152 C153 C156 133.8(10) . . . . ?
O39 C152 C153 C154 -173.3(9) . . . . ?
O39 C152 C153 C155 65.9(11) . . . . ?
O39 C152 C153 C156 -50.9(12) . . . . ?
O40 C142 C143 C1F_b -80(2) . . . . ?
O40 C142 C143 C144 -176.5(11) . . . . ?
O40 C142 C143 C145_a -39.6(15) . . . . ?
O40 C142 C143 C146 64.4(14) . . . . ?
O41 C142 C143 C1F_b 99(2) . . . . ?
O41 C142 C143 C144 2.1(15) . . . . ?
O41 C142 C143 C145_a 139.0(13) . . . . ?
O41 C142 C143 C146 -117.0(13) . . . . ?
N13 C126 C127 N15 175.3(10) . . . . ?
N13 C126 C127 C128 -6(2) . . . . ?
N13 C126 C130 O33 -2.6(18) . . . . ?
N13 C126 C130 N14 -179.3(9) . . . . ?
N14 N15 C127 C126 5.8(14) . . . . ?
N14 N15 C127 C128 -172.8(12) . . . . ?
N14 C12_b C1E_b C1D_b 178.4(16) . . . . ?
N14 C12_b C1A_b C1B_b -178.1(18) . . . . ?
N14 C131_a C132_a C133_a -179.4(17) . . . . ?
N15 N14 C12_b C1E_b 35.5(17) . . . . ?
N15 N14 C12_b C1A_b -146.2(13) . . . . ?
N15 N14 C130 O33 -172.5(10) . . . . ?
N15 N14 C130 C126 4.5(12) . . . . ?
N15 N14 C131_a C136_a -146.2(10) . . . . ?
N15 N14 C131_a C132_a 33.3(18) . . . . ?
C12_b N14 N15 C127 -171.0(13) . . . . ?
C12_b N14 N15 C129 39.6(19) . . . . ?
C12_b N14 C130 O33 -7.4(18) . . . . ?
C12_b N14 C130 C126 169.6(12) . . . . ?
C12_b N14 C131_a C136_a -17(3) . . . . ?
C12_b N14 C131_a C132_a 162(4) . . . . ?
C12_b C1E_b C1D_b C1C_b 0.0 . . . . ?
C1E_b C12_b C1A_b C1B_b 0.0 . . . . ?
C1E_b C1D_b C1C_b C1B_b 0.0 . . . . ?
C1D_b C1C_b C1B_b C1A_b 0.0 . . . . ?
C1C_b C1B_b C1A_b C12_b 0.0 . . . . ?
C1A_b C12_b C1E_b C1D_b 0.0 . . . . ?
C118 O31 C119 C120 -7.9(16) . . . . ?
C118 O31 C119 C124 172.2(9) . . . . ?
C119 C120 C121 C122 -3(2) . . . . ?
C120 C119 C124 O32 -177.6(10) . . . . ?
C120 C119 C124 C123 4.8(16) . . . . ?
C120 C121 C122 C123 5(2) . . . . ?
C121 C122 C123 C124 -2(2) . . . . ?
C121 C122 C123 C125 -176.3(13) . . . . ?
C122 C123 C124 O32 179.8(10) . . . . ?
C122 C123 C124 C119 -2.8(16) . . . . ?
C122 C123 C125 N13 169.9(12) . . . . ?
C124 C119 C120 C121 -1.8(19) . . . . ?
C124 C123 C125 N13 -4(2) . . . . ?
C125 N13 C126 C127 -60.0(16) . . . . ?
C125 N13 C126 C130 118.0(12) . . . . ?
C125 C123 C124 O32 -6.4(18) . . . . ?
C125 C123 C124 C119 170.9(10) . . . . ?
C126 N13 C125 C123 -179.5(11) . . . . ?
C127 C126 C130 O33 175.8(11) . . . . ?
C127 C126 C130 N14 -0.9(12) . . . . ?
C129 N15 C127 C126 153.0(14) . . . . ?
C129 N15 C127 C128 -26(2) . . . . ?
C130 N14 N15 C127 -6.5(14) . . . . ?
C130 N14 N15 C129 -155.8(12) . . . . ?
C130 N14 C12_b C1E_b -127.0(12) . . . . ?
C130 N14 C12_b C1A_b 51.3(19) . . . . ?
C130 N14 C131_a C136_a 75.5(15) . . . . ?
C130 N14 C131_a C132_a -105.0(16) . . . . ?
C130 C126 C127 N15 -3.0(14) . . . . ?
C130 C126 C127 C128 175.6(12) . . . . ?
C134_a C135_a C136_a C131_a 0.0 . . . . ?
C135_a C134_a C133_a C132_a 0.0 . . . . ?
C135_a C136_a C131_a N14 179.5(14) . . . . ?
C135_a C136_a C131_a C132_a 0.0 . . . . ?
C136_a C131_a C132_a C133_a 0.0 . . . . ?
C131_a N14 N15 C127 -151.0(12) . . . . ?
C131_a N14 N15 C129 59.6(16) . . . . ?
C131_a N14 C12_b C1E_b -26(3) . . . . ?
C131_a N14 C12_b C1A_b 152(4) . . . . ?
C131_a N14 C130 O33 -32.4(18) . . . . ?
C131_a N14 C130 C126 144.7(12) . . . . ?
C131_a C132_a C133_a C134_a 0.0 . . . . ?
C133_a C134_a C135_a C136_a 0.0 . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.041 0.034 0.390 37.6 0.0 ?
2 -0.041 -0.034 0.610 37.6 0.0 ?
3 -0.283 0.500 0.000 2929.1 108.7 ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_2014ncs0912z
_database_code_depnum_ccdc_archive 'CCDC 1055920'
_audit_update_record             
;
2015-03-24 deposited with the CCDC.
2015-06-19 downloaded from the CCDC.
;
_audit_creation_date             2015-02-10
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_shelxl_version_number           2014-1
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C116 H148 Co4 Dy4 N12 O34, C4 H6 N2'
_chemical_formula_sum            'C120 H154 Co4 Dy4 N14 O34'
_chemical_formula_weight         3222.28
_chemical_melting_point          ?
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'
Co Co 0.3494 0.9721 '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 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      hexagonal
_space_group_IT_number           175
_space_group_name_H-M_alt        'P 6/m'
_space_group_name_Hall           '-P 6'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x-y, x, z'
'-y, x-y, z'
'-x, -y, z'
'-x+y, -x, z'
'y, -x+y, z'
'-x, -y, -z'
'-x+y, -x, -z'
'y, -x+y, -z'
'x, y, -z'
'x-y, x, -z'
'-y, x-y, -z'

_cell_length_a                   27.7587(6)
_cell_length_b                   27.7587(6)
_cell_length_c                   22.5433(9)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     15043.4(9)
_cell_formula_units_Z            3
_cell_measurement_reflns_used    ?
_cell_measurement_temperature    100
_cell_measurement_theta_max      ?
_cell_measurement_theta_min      ?
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.845
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.53533
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm
;
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.067
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             4848
_exptl_crystal_size_max          0.048
_exptl_crystal_size_mid          0.034
_exptl_crystal_size_min          0.01
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1782
_diffrn_reflns_av_unetI/netI     0.1016
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            108985
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         26.371
_diffrn_reflns_theta_min         2.328
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6100
_reflns_number_total             10477
_reflns_special_details          
;
 Data were apparently pre-merged, so _diffrn_reflns_number
 etc. will have to be added later.
 
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         1.045
_refine_diff_density_min         -0.684
_refine_diff_density_rms         0.114
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.939
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     375
_refine_ls_number_reflns         10477
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1002
_refine_ls_R_factor_gt           0.0580
_refine_ls_restrained_S_all      0.939
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0789P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1401
_refine_ls_wR_factor_ref         0.1533
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All O(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid bond restraints
 C14, C19
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C12, C13
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
3. Uiso/Uaniso restraints and constraints
: with sigma of 0.1 and sigma for terminal atoms of 0.2
: with sigma of 0.1 and sigma for terminal atoms of 0.2
4. Rigid body (RIGU) restrains
 C14, C19
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C12, C13
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Fixed Sof: C12(0.5) H12A(0.5) H12B(0.5) H12C(0.5) C13(0.5) H13A(0.5)
 H13B(0.5) H13C(0.5) C14(0.5) C19(0.5) H19(0.5) C18(0.5) H18(0.5) C17(0.5)
 H17(0.5) C16(0.5) H16(0.5) C15(0.5) H15(0.5) C22(0.5) H22A(0.5) H22B(0.5)
 H22C(0.5) C23(0.5) H23A(0.5) H23B(0.5) H23C(0.5) C24(0.5) H24A(0.5) H24B(0.5)
 H24C(0.5) H31A(0.5) H31B(0.5) H31C(0.5) H0AA(0.5) H0AB(0.5) H0AC(0.5)
 C18A(0.5) H18A(0.5) C17A(0.5) H17A(0.5) C16A(0.5) H16A(0.5) C15A(0.5)
 H15A(0.5) C14A(0.5) C19A(0.5) H19A(0.5) C12A(0.5) H12D(0.5) H12E(0.5)
 H12F(0.5) C13A(0.5) H13D(0.5) H13E(0.5) H13F(0.5) C23A(0.5) H23D(0.5)
 H23E(0.5) H23F(0.5) C24A(0.5) H24D(0.5) H24E(0.5) H24F(0.5) C22A(0.5)
 H22D(0.5) H22E(0.5) H22F(0.5) H28A(0.5) H28B(0.5) H28C(0.5)
6.a Ternary CH refined with riding coordinates:
 O1(H1)
6.b Aromatic/amide H refined with riding coordinates:
 C3AA(H3AA), C4(H4), C5(H5), C8(H8), C19(H19), C18(H18), C17(H17), C16(H16),
 C15(H15), C18A(H18A), C17A(H17A), C16A(H16A), C15A(H15A), C19A(H19A)
6.c Fitted pentagon refined as free rotating group:
 C11(C9,C10,N2,N3)
6.d Fitted hexagon refined as free rotating group:
 C14(C19,C18,C17,C16,C15), C18A(C17A,C16A,C15A,C14A,C19A)
6.e Idealised Me refined as rotating group:
 C1AA(H1AA,H1AB,H1AC), C12(H12A,H12B,H12C), C13(H13A,H13B,H13C), C22(H22A,H22B,
 H22C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C31(H31A,H31B,H31C), C32(H32A,
 H32B,H32C), C0AA(H0AA,H0AB,H0AC), C12A(H12D,H12E,H12F), C13A(H13D,H13E,H13F),
 C23A(H23D,H23E,H23F), C24A(H24D,H24E,H24F), C22A(H22D,H22E,H22F), C27(H27A,
 H27B,H27C), C28(H28A,H28B,H28C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.44969(2) 0.41820(2) 0.59212(2) 0.03932(12) Uani 1 1 d . . . . .
Co1 Co 0.44355(3) 0.50487(3) 0.69768(4) 0.0449(2) Uani 1 1 d . . . . .
O1 O 0.45777(14) 0.50899(14) 0.60866(19) 0.0404(10) Uani 1 1 d . . . . .
H1 H 0.4299 0.5139 0.5854 0.048 Uiso 1 1 calc R . . . .
O2 O 0.4435(2) 0.4464(2) 0.5000 0.0407(14) Uani 1 2 d S T P . .
O3 O 0.44505(16) 0.34623(15) 0.6649(2) 0.0466(11) Uani 1 1 d . . . . .
O4 O 0.46309(15) 0.44222(16) 0.6990(2) 0.0438(10) Uani 1 1 d . . . . .
O5 O 0.43766(17) 0.57711(16) 0.7117(2) 0.0550(13) Uani 1 1 d . . . . .
O6 O 0.38928(16) 0.33144(16) 0.5501(2) 0.0502(11) Uani 1 1 d . . . . .
O7 O 0.50922(15) 0.39124(16) 0.5493(2) 0.0463(11) Uani 1 1 d . . . . .
O8 O 0.36204(16) 0.39166(16) 0.6284(2) 0.0519(12) Uani 1 1 d . . . . .
O9 O 0.35913(16) 0.45083(18) 0.6943(2) 0.0602(13) Uani 1 1 d . . . . .
N1 N 0.4360(2) 0.4992(3) 0.7900(3) 0.0620(16) Uani 1 1 d . . . . .
C1AA C 0.4441(3) 0.2954(2) 0.6475(4) 0.061(2) Uani 1 1 d . . . . .
H1AA H 0.4074 0.2634 0.6561 0.092 Uiso 1 1 calc GR . . . .
H1AB H 0.4726 0.2920 0.6697 0.092 Uiso 1 1 calc GR . . . .
H1AC H 0.4517 0.2966 0.6049 0.092 Uiso 1 1 calc GR . . . .
C2AA C 0.4338(3) 0.3489(3) 0.7243(4) 0.0548(18) Uani 1 1 d . . . . .
C3AA C 0.4185(3) 0.3071(3) 0.7644(4) 0.067(2) Uani 1 1 d . . . . .
H3AA H 0.4140 0.2722 0.7528 0.080 Uiso 1 1 calc R . . . .
C4 C 0.4096(4) 0.3167(4) 0.8227(4) 0.088(3) Uani 1 1 d . . . . .
H4 H 0.3985 0.2876 0.8509 0.106 Uiso 1 1 calc R . . . .
C5 C 0.4162(4) 0.3655(4) 0.8405(4) 0.088(3) Uani 1 1 d . . . . .
H5 H 0.4108 0.3708 0.8810 0.106 Uiso 1 1 calc R . . . .
C6 C 0.4311(3) 0.4091(3) 0.7998(4) 0.067(2) Uani 1 1 d . . . . .
C7 C 0.4425(2) 0.4019(3) 0.7418(3) 0.0497(17) Uani 1 1 d . . . . .
C8 C 0.4301(3) 0.4579(4) 0.8216(4) 0.073(2) Uani 1 1 d . . . . .
H8 H 0.4246 0.4594 0.8630 0.087 Uiso 1 1 calc R . . . .
C11 C 0.4303(2) 0.5782(2) 0.7662(2) 0.070(2) Uani 1 1 d . . . . .
C9 C 0.4298(3) 0.5413(2) 0.8101(3) 0.076(2) Uani 1 1 d G . . . .
C10 C 0.4262(3) 0.5620(3) 0.8665(3) 0.133(4) Uani 1 1 d G . . . .
N2 N 0.4244(3) 0.6117(3) 0.8575(3) 0.141(4) Uani 1 1 d G . . . .
N3 N 0.4269(2) 0.62174(18) 0.7955(3) 0.088(3) Uani 1 1 d G . . . .
C12_a C 0.3987(10) 0.5264(10) 0.9229(12) 0.120(8) Uiso 0.5 1 d . U . A 1
H12A_a H 0.3680 0.4899 0.9112 0.181 Uiso 0.5 1 calc GR . . A 1
H12B_a H 0.3845 0.5453 0.9481 0.181 Uiso 0.5 1 calc GR . . A 1
H12C_a H 0.4264 0.5216 0.9450 0.181 Uiso 0.5 1 calc GR . . A 1
C13_a C 0.3836(10) 0.6156(11) 0.8952(12) 0.109(8) Uiso 0.5 1 d . U . B 1
H13A_a H 0.3513 0.5784 0.9010 0.164 Uiso 0.5 1 calc GR . . B 1
H13B_a H 0.3717 0.6397 0.8763 0.164 Uiso 0.5 1 calc GR . . B 1
H13C_a H 0.4005 0.6313 0.9338 0.164 Uiso 0.5 1 calc GR . . B 1
C14_a C 0.4388(5) 0.6776(3) 0.7589(5) 0.058(4) Uiso 0.5 1 d . U . C 1
C19_a C 0.4196(4) 0.6772(3) 0.7019(5) 0.061(4) Uiso 0.5 1 d G U . C 1
H19_a H 0.3961 0.6429 0.6826 0.073 Uiso 0.5 1 calc R . . C 1
C18_a C 0.4348(4) 0.7271(4) 0.6731(4) 0.072(4) Uiso 0.5 1 d G U . C 1
H18_a H 0.4217 0.7268 0.6342 0.087 Uiso 0.5 1 calc R . . C 1
C17_a C 0.4692(4) 0.7773(3) 0.7014(5) 0.065(4) Uiso 0.5 1 d G U . C 1
H17_a H 0.4796 0.8114 0.6817 0.078 Uiso 0.5 1 calc R . . C 1
C16_a C 0.4884(4) 0.7777(3) 0.7584(5) 0.067(5) Uiso 0.5 1 d G U . C 1
H16_a H 0.5119 0.8121 0.7778 0.080 Uiso 0.5 1 calc R . . C 1
C15_a C 0.4732(5) 0.7278(4) 0.7872(4) 0.082(5) Uiso 0.5 1 d G U . C 1
H15_a H 0.4864 0.7281 0.8262 0.098 Uiso 0.5 1 calc R . . C 1
C20 C 0.3381(3) 0.4039(3) 0.6678(4) 0.066(2) Uani 1 1 d . . . . .
C21 C 0.2798(3) 0.3586(3) 0.6921(5) 0.084(3) Uani 1 1 d . . . . .
C22_a C 0.2382(14) 0.3628(13) 0.6537(17) 0.168(15) Uiso 0.5 1 d . . . D 1
H22A_a H 0.2444 0.4008 0.6555 0.252 Uiso 0.5 1 calc GR . . D 1
H22B_a H 0.2006 0.3366 0.6676 0.252 Uiso 0.5 1 calc GR . . D 1
H22C_a H 0.2425 0.3539 0.6126 0.252 Uiso 0.5 1 calc GR . . D 1
C23_a C 0.2595(6) 0.3038(6) 0.6572(8) 0.064(4) Uiso 0.5 1 d . . . D 1
H23A_a H 0.2568 0.3105 0.6150 0.096 Uiso 0.5 1 calc GR . . D 1
H23B_a H 0.2229 0.2757 0.6720 0.096 Uiso 0.5 1 calc GR . . D 1
H23C_a H 0.2861 0.2906 0.6625 0.096 Uiso 0.5 1 calc GR . . D 1
C24_a C 0.2801(6) 0.3573(6) 0.7619(8) 0.054(4) Uiso 0.5 1 d . . . D 1
H24A_a H 0.2996 0.3381 0.7754 0.081 Uiso 0.5 1 calc GR . . D 1
H24B_a H 0.2417 0.3376 0.7766 0.081 Uiso 0.5 1 calc GR . . D 1
H24C_a H 0.2991 0.3955 0.7772 0.081 Uiso 0.5 1 calc GR . . D 1
C25 C 0.3736(3) 0.3084(4) 0.5000 0.046(2) Uani 1 2 d S T P . .
C29 C 0.5246(3) 0.3824(3) 0.5000 0.042(2) Uani 1 2 d S T P . .
C30 C 0.5639(4) 0.3575(4) 0.5000 0.050(2) Uani 1 2 d S T P . .
C31 C 0.5257(4) 0.2943(4) 0.5000 0.071(3) Uani 1 2 d S T P . .
H31A H 0.5482 0.2763 0.4958 0.107 Uiso 0.5 1 calc GR . . E -1
H31B H 0.4996 0.2835 0.4668 0.107 Uiso 0.5 1 calc GR . . E -1
H31C H 0.5050 0.2827 0.5374 0.107 Uiso 0.5 1 calc GR . . E -1
C32 C 0.5995(3) 0.3760(4) 0.5546(5) 0.092(3) Uani 1 1 d . . . . .
H32A H 0.6227 0.4166 0.5545 0.138 Uiso 1 1 calc GR . . . .
H32B H 0.6234 0.3593 0.5552 0.138 Uiso 1 1 calc GR . . . .
H32C H 0.5757 0.3642 0.5899 0.138 Uiso 1 1 calc GR . . . .
N4 N 0.3572(9) 0.4925(10) 0.5000 0.210(8) Uiso 1 2 d S T P . .
C0AA C 0.2991(5) 0.3830(5) 0.5000 0.085(3) Uiso 1 2 d S T P . .
H0AA H 0.2989 0.3694 0.4599 0.128 Uiso 0.5 1 calc GR . . F -1
H0AB H 0.2607 0.3697 0.5129 0.128 Uiso 0.5 1 calc GR . . F -1
H0AC H 0.3170 0.3692 0.5272 0.128 Uiso 0.5 1 calc GR . . F -1
C5AA C 0.3296(8) 0.4433(9) 0.5000 0.151(7) Uiso 1 2 d S T P . .
C18A_b C 0.4446(4) 0.7311(3) 0.7067(4) 0.057(4) Uiso 0.5 1 d . . . C 2
H18A_b H 0.4322 0.7358 0.6690 0.068 Uiso 0.5 1 calc R . . C 2
C17A_b C 0.4812(4) 0.7774(3) 0.7397(5) 0.059(4) Uiso 0.5 1 d G . . C 2
H17A_b H 0.4937 0.8137 0.7246 0.070 Uiso 0.5 1 calc R . . C 2
C16A_b C 0.4994(4) 0.7705(3) 0.7949(5) 0.060(4) Uiso 0.5 1 d G . . C 2
H16A_b H 0.5243 0.8022 0.8175 0.072 Uiso 0.5 1 calc R . . C 2
C15A_b C 0.4810(4) 0.7174(4) 0.8169(4) 0.063(4) Uiso 0.5 1 d G . . C 2
H15A_b H 0.4934 0.7127 0.8546 0.075 Uiso 0.5 1 calc R . . C 2
C14A_b C 0.4444(4) 0.6711(3) 0.7839(4) 0.046(3) Uiso 0.5 1 d G . . C 2
C19A_b C 0.4263(4) 0.6780(3) 0.7287(4) 0.036(3) Uiso 0.5 1 d G . . C 2
H19A_b H 0.4013 0.6463 0.7061 0.043 Uiso 0.5 1 calc R . . C 2
C12A_b C 0.4424(10) 0.5503(10) 0.9312(13) 0.130(8) Uiso 0.5 1 d . . . A 2
H12D_b H 0.4113 0.5160 0.9473 0.195 Uiso 0.5 1 calc GR . . A 2
H12E_b H 0.4503 0.5815 0.9576 0.195 Uiso 0.5 1 calc GR . . A 2
H12F_b H 0.4754 0.5463 0.9283 0.195 Uiso 0.5 1 calc GR . . A 2
C13A_b C 0.3980(11) 0.6407(11) 0.8824(14) 0.125(10) Uiso 0.5 1 d . . . B 2
H13D_b H 0.3618 0.6136 0.8991 0.188 Uiso 0.5 1 calc GR . . B 2
H13E_b H 0.3927 0.6622 0.8512 0.188 Uiso 0.5 1 calc GR . . B 2
H13F_b H 0.4216 0.6659 0.9137 0.188 Uiso 0.5 1 calc GR . . B 2
C23A_b C 0.2787(7) 0.3004(7) 0.6890(10) 0.090(6) Uiso 0.5 1 d . . . D 2
H23D_b H 0.3052 0.3026 0.6589 0.135 Uiso 0.5 1 calc GR . . D 2
H23E_b H 0.2412 0.2708 0.6785 0.135 Uiso 0.5 1 calc GR . . D 2
H23F_b H 0.2891 0.2923 0.7277 0.135 Uiso 0.5 1 calc GR . . D 2
C24A_b C 0.2694(14) 0.3712(13) 0.7546(17) 0.172(15) Uiso 0.5 1 d . . . D 2
H24D_b H 0.3010 0.3784 0.7799 0.257 Uiso 0.5 1 calc GR . . D 2
H24E_b H 0.2355 0.3393 0.7702 0.257 Uiso 0.5 1 calc GR . . D 2
H24F_b H 0.2649 0.4041 0.7541 0.257 Uiso 0.5 1 calc GR . . D 2
C22A_b C 0.2387(6) 0.3799(7) 0.6713(8) 0.058(4) Uiso 0.5 1 d . . . D 2
H22D_b H 0.2507 0.4165 0.6886 0.087 Uiso 0.5 1 calc GR . . D 2
H22E_b H 0.2008 0.3535 0.6845 0.087 Uiso 0.5 1 calc GR . . D 2
H22F_b H 0.2393 0.3826 0.6279 0.087 Uiso 0.5 1 calc GR . . D 2
C26 C 0.3296(4) 0.2451(4) 0.5000 0.053(3) Uani 1 2 d S T P . .
C27 C 0.3037(6) 0.2253(5) 0.5549(7) 0.218(10) Uani 1 1 d . . . . .
H27A H 0.3293 0.2472 0.5868 0.328 Uiso 1 1 calc GR . . . .
H27B H 0.2933 0.1862 0.5593 0.328 Uiso 1 1 calc GR . . . .
H27C H 0.2702 0.2286 0.5570 0.328 Uiso 1 1 calc GR . . . .
C28 C 0.3644(7) 0.2130(6) 0.5000 0.195(11) Uani 1 2 d S T P . .
H28A H 0.3966 0.2323 0.5264 0.292 Uiso 0.5 1 calc GR . . G -1
H28B H 0.3773 0.2125 0.4597 0.292 Uiso 0.5 1 calc GR . . G -1
H28C H 0.3406 0.1748 0.5139 0.292 Uiso 0.5 1 calc GR . . G -1


_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 Dy1 3.9676(5) 4_665 ?
Dy1 Co1 3.4483(9) . ?
Dy1 O1 2.373(4) 4_665 ?
Dy1 O1 2.445(4) . ?
Dy1 O2 2.256(2) . ?
Dy1 O3 2.538(4) . ?
Dy1 O4 2.477(5) . ?
Dy1 O6 2.338(4) . ?
Dy1 O7 2.337(4) . ?
Dy1 O8 2.311(4) . ?
Co1 O1 2.037(4) . ?
Co1 O4 2.065(4) . ?
Co1 O4 2.251(4) 4_665 ?
Co1 O5 2.116(4) . ?
Co1 O9 2.057(4) . ?
Co1 N1 2.089(6) . ?
O1 Dy1 2.373(3) 4_665 ?
O1 H1 1.0000 . ?
O2 Dy1 2.256(2) 10_556 ?
O3 C1AA 1.452(7) . ?
O3 C2AA 1.385(8) . ?
O4 Co1 2.251(4) 4_665 ?
O4 C7 1.368(8) . ?
O5 C11 1.248(7) . ?
O6 C25 1.264(5) . ?
O7 C29 1.258(5) . ?
O8 C20 1.254(9) . ?
O9 C20 1.279(8) . ?
N1 C8 1.290(9) . ?
N1 C9 1.343(7) . ?
C1AA H1AA 0.9800 . ?
C1AA H1AB 0.9800 . ?
C1AA H1AC 0.9800 . ?
C2AA C3AA 1.361(9) . ?
C2AA C7 1.424(9) . ?
C3AA H3AA 0.9500 . ?
C3AA C4 1.388(11) . ?
C4 H4 0.9500 . ?
C4 C5 1.334(12) . ?
C5 H5 0.9500 . ?
C5 C6 1.405(11) . ?
C6 C7 1.383(11) . ?
C6 C8 1.453(10) . ?
C8 H8 0.9500 . ?
C11 C9 1.4200 . ?
C11 N3 1.4200 . ?
C9 C10 1.4200 . ?
C10 N2 1.4200 . ?
C10 C12_a 1.56(2) . ?
C10 C12A_b 1.61(3) . ?
N2 N3 1.4200 . ?
N2 C13_a 1.46(2) . ?
N2 C13A_b 1.44(3) . ?
N3 C14_a 1.636(9) . ?
N3 C14A_b 1.231(7) . ?
C12_a H12A_a 0.9800 . ?
C12_a H12B_a 0.9800 . ?
C12_a H12C_a 0.9800 . ?
C13_a H13A_a 0.9800 . ?
C13_a H13B_a 0.9800 . ?
C13_a H13C_a 0.9800 . ?
C14_a C19_a 1.3900 . ?
C14_a C15_a 1.3900 . ?
C19_a H19_a 0.9500 . ?
C19_a C18_a 1.3900 . ?
C18_a H18_a 0.9500 . ?
C18_a C17_a 1.3900 . ?
C17_a H17_a 0.9500 . ?
C17_a C16_a 1.3900 . ?
C16_a H16_a 0.9500 . ?
C16_a C15_a 1.3900 . ?
C15_a H15_a 0.9500 . ?
C20 C21 1.569(10) . ?
C21 C22_a 1.49(3) . ?
C21 C23_a 1.546(16) . ?
C21 C24_a 1.575(19) . ?
C21 C23A_b 1.602(18) . ?
C21 C24A_b 1.51(4) . ?
C21 C22A_b 1.596(19) . ?
C22_a H22A_a 0.9800 . ?
C22_a H22B_a 0.9800 . ?
C22_a H22C_a 0.9800 . ?
C23_a H23A_a 0.9800 . ?
C23_a H23B_a 0.9800 . ?
C23_a H23C_a 0.9800 . ?
C24_a H24A_a 0.9800 . ?
C24_a H24B_a 0.9800 . ?
C24_a H24C_a 0.9800 . ?
C25 O6 1.264(5) 10_556 ?
C25 C26 1.559(12) . ?
C29 O7 1.258(5) 10_556 ?
C29 C30 1.555(11) . ?
C30 C31 1.530(12) . ?
C30 C32 1.500(10) 10_556 ?
C30 C32 1.500(10) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
N4 C5AA 1.18(2) . ?
C0AA H0AA 0.9800 . ?
C0AA H0AB 0.9800 . ?
C0AA H0AC 0.9800 . ?
C0AA C5AA 1.45(2) . ?
C18A_b H18A_b 0.9500 . ?
C18A_b C17A_b 1.3900 . ?
C18A_b C19A_b 1.3900 . ?
C17A_b H17A_b 0.9500 . ?
C17A_b C16A_b 1.3900 . ?
C16A_b H16A_b 0.9500 . ?
C16A_b C15A_b 1.3900 . ?
C15A_b H15A_b 0.9500 . ?
C15A_b C14A_b 1.3900 . ?
C14A_b C19A_b 1.3900 . ?
C19A_b H19A_b 0.9500 . ?
C12A_b H12D_b 0.9800 . ?
C12A_b H12E_b 0.9800 . ?
C12A_b H12F_b 0.9800 . ?
C13A_b H13D_b 0.9800 . ?
C13A_b H13E_b 0.9800 . ?
C13A_b H13F_b 0.9800 . ?
C23A_b H23D_b 0.9800 . ?
C23A_b H23E_b 0.9800 . ?
C23A_b H23F_b 0.9800 . ?
C24A_b H24D_b 0.9800 . ?
C24A_b H24E_b 0.9800 . ?
C24A_b H24F_b 0.9800 . ?
C22A_b H22D_b 0.9800 . ?
C22A_b H22E_b 0.9800 . ?
C22A_b H22F_b 0.9800 . ?
C26 C27 1.399(13) . ?
C26 C27 1.399(13) 10_556 ?
C26 C28 1.607(18) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?

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
Co1 Dy1 Dy1 56.869(15) . 4_665 ?
O1 Dy1 Dy1 33.97(8) . 4_665 ?
O1 Dy1 Dy1 35.15(9) 4_665 4_665 ?
O1 Dy1 Co1 35.55(10) . . ?
O1 Dy1 Co1 72.98(10) 4_665 . ?
O1 Dy1 O1 66.15(14) 4_665 . ?
O1 Dy1 O3 100.15(13) 4_665 . ?
O1 Dy1 O3 130.95(15) . . ?
O1 Dy1 O4 69.52(14) . . ?
O1 Dy1 O4 70.43(14) 4_665 . ?
O2 Dy1 Dy1 74.66(12) . 4_665 ?
O2 Dy1 Co1 110.76(12) . . ?
O2 Dy1 O1 76.50(16) . . ?
O2 Dy1 O1 95.02(16) . 4_665 ?
O2 Dy1 O3 152.28(16) . . ?
O2 Dy1 O4 146.00(15) . . ?
O2 Dy1 O6 81.06(17) . . ?
O2 Dy1 O7 85.39(16) . . ?
O2 Dy1 O8 100.68(17) . . ?
O3 Dy1 Dy1 129.10(9) . 4_665 ?
O3 Dy1 Co1 95.89(10) . . ?
O4 Dy1 Dy1 76.52(9) . 4_665 ?
O4 Dy1 Co1 36.32(9) . . ?
O4 Dy1 O3 61.66(14) . . ?
O6 Dy1 Dy1 155.60(12) . 4_665 ?
O6 Dy1 Co1 137.53(11) . . ?
O6 Dy1 O1 140.57(13) . . ?
O6 Dy1 O1 148.67(14) . 4_665 ?
O6 Dy1 O3 73.90(15) . . ?
O6 Dy1 O4 127.19(15) . . ?
O7 Dy1 Dy1 99.25(9) . 4_665 ?
O7 Dy1 Co1 142.97(10) . . ?
O7 Dy1 O1 72.54(13) . 4_665 ?
O7 Dy1 O1 132.70(13) . . ?
O7 Dy1 O3 77.33(14) . . ?
O7 Dy1 O4 116.94(14) . . ?
O7 Dy1 O6 76.16(14) . . ?
O8 Dy1 Dy1 113.04(10) . 4_665 ?
O8 Dy1 Co1 64.32(11) . . ?
O8 Dy1 O1 137.29(15) . 4_665 ?
O8 Dy1 O1 79.28(13) . . ?
O8 Dy1 O3 83.65(14) . . ?
O8 Dy1 O4 74.58(15) . . ?
O8 Dy1 O6 73.52(15) . . ?
O8 Dy1 O7 147.64(14) . . ?
O1 Co1 Dy1 44.25(10) . . ?
O1 Co1 O4 81.29(16) . 4_665 ?
O1 Co1 O4 86.33(16) . . ?
O1 Co1 O5 101.47(18) . . ?
O1 Co1 O9 97.04(18) . . ?
O1 Co1 N1 174.0(2) . . ?
O4 Co1 Dy1 91.24(11) 4_665 . ?
O4 Co1 Dy1 45.30(13) . . ?
O4 Co1 O4 81.24(16) . 4_665 ?
O4 Co1 O5 166.81(18) . . ?
O4 Co1 N1 88.9(2) . . ?
O5 Co1 Dy1 144.97(15) . . ?
O5 Co1 O4 89.38(15) . 4_665 ?
O9 Co1 Dy1 84.33(14) . . ?
O9 Co1 O4 93.98(17) . . ?
O9 Co1 O4 175.01(16) . 4_665 ?
O9 Co1 O5 95.57(16) . . ?
O9 Co1 N1 87.0(2) . . ?
N1 Co1 Dy1 132.27(17) . . ?
N1 Co1 O4 94.4(2) . 4_665 ?
N1 Co1 O5 82.5(2) . . ?
Dy1 O1 Dy1 110.88(14) 4_665 . ?
Dy1 O1 H1 112.5 . . ?
Dy1 O1 H1 112.5 4_665 . ?
Co1 O1 Dy1 107.43(17) . 4_665 ?
Co1 O1 Dy1 100.20(15) . . ?
Co1 O1 H1 112.5 . . ?
Dy1 O2 Dy1 134.0(2) 10_556 . ?
C1AA O3 Dy1 124.0(4) . . ?
C2AA O3 Dy1 120.5(3) . . ?
C2AA O3 C1AA 114.7(5) . . ?
Co1 O4 Dy1 97.58(15) 4_665 . ?
Co1 O4 Dy1 98.38(17) . . ?
Co1 O4 Co1 98.74(16) . 4_665 ?
C7 O4 Dy1 121.4(4) . . ?
C7 O4 Co1 114.7(3) . 4_665 ?
C7 O4 Co1 121.3(4) . . ?
C11 O5 Co1 105.2(4) . . ?
C25 O6 Dy1 140.5(5) . . ?
C29 O7 Dy1 142.3(5) . . ?
C20 O8 Dy1 141.3(4) . . ?
C20 O9 Co1 122.2(4) . . ?
C8 N1 Co1 125.5(5) . . ?
C8 N1 C9 125.0(7) . . ?
C9 N1 Co1 108.8(5) . . ?
O3 C1AA H1AA 109.5 . . ?
O3 C1AA H1AB 109.5 . . ?
O3 C1AA H1AC 109.5 . . ?
H1AA C1AA H1AB 109.5 . . ?
H1AA C1AA H1AC 109.5 . . ?
H1AB C1AA H1AC 109.5 . . ?
O3 C2AA C7 113.4(6) . . ?
C3AA C2AA O3 125.5(7) . . ?
C3AA C2AA C7 121.1(8) . . ?
C2AA C3AA H3AA 120.8 . . ?
C2AA C3AA C4 118.4(8) . . ?
C4 C3AA H3AA 120.8 . . ?
C3AA C4 H4 118.9 . . ?
C5 C4 C3AA 122.2(8) . . ?
C5 C4 H4 118.9 . . ?
C4 C5 H5 119.6 . . ?
C4 C5 C6 120.7(9) . . ?
C6 C5 H5 119.6 . . ?
C5 C6 C8 116.6(8) . . ?
C7 C6 C5 118.9(7) . . ?
C7 C6 C8 124.4(7) . . ?
O4 C7 C2AA 115.8(6) . . ?
O4 C7 C6 125.6(6) . . ?
C6 C7 C2AA 118.6(7) . . ?
N1 C8 C6 126.1(7) . . ?
N1 C8 H8 117.0 . . ?
C6 C8 H8 117.0 . . ?
O5 C11 C9 127.6(5) . . ?
O5 C11 N3 124.1(5) . . ?
N3 C11 C9 108.0 . . ?
N1 C9 C11 115.7(6) . . ?
N1 C9 C10 136.1(6) . . ?
C10 C9 C11 108.0 . . ?
C9 C10 N2 108.0 . . ?
C9 C10 C12_a 125.9(11) . . ?
C9 C10 C12A_b 130.4(10) . . ?
N2 C10 C12_a 119.4(11) . . ?
N2 C10 C12A_b 118.4(10) . . ?
C10 N2 N3 108.0 . . ?
C10 N2 C13_a 113.1(12) . . ?
C10 N2 C13A_b 139.4(13) . . ?
N3 N2 C13_a 121.5(12) . . ?
N3 N2 C13A_b 105.2(13) . . ?
C11 N3 N2 108.0 . . ?
C11 N3 C14_a 120.2(6) . . ?
N2 N3 C14_a 130.4(6) . . ?
C14A_b N3 C11 133.6(7) . . ?
C14A_b N3 N2 112.4(7) . . ?
C10 C12_a H12A_a 109.5 . . ?
C10 C12_a H12B_a 109.5 . . ?
C10 C12_a H12C_a 109.5 . . ?
H12A_a C12_a H12B_a 109.5 . . ?
H12A_a C12_a H12C_a 109.5 . . ?
H12B_a C12_a H12C_a 109.5 . . ?
N2 C13_a H13A_a 109.5 . . ?
N2 C13_a H13B_a 109.5 . . ?
N2 C13_a H13C_a 109.5 . . ?
H13A_a C13_a H13B_a 109.5 . . ?
H13A_a C13_a H13C_a 109.5 . . ?
H13B_a C13_a H13C_a 109.5 . . ?
C19_a C14_a N3 124.3(7) . . ?
C19_a C14_a C15_a 120.0 . . ?
C15_a C14_a N3 115.6(7) . . ?
C14_a C19_a H19_a 120.0 . . ?
C14_a C19_a C18_a 120.0 . . ?
C18_a C19_a H19_a 120.0 . . ?
C19_a C18_a H18_a 120.0 . . ?
C17_a C18_a C19_a 120.0 . . ?
C17_a C18_a H18_a 120.0 . . ?
C18_a C17_a H17_a 120.0 . . ?
C18_a C17_a C16_a 120.0 . . ?
C16_a C17_a H17_a 120.0 . . ?
C17_a C16_a H16_a 120.0 . . ?
C15_a C16_a C17_a 120.0 . . ?
C15_a C16_a H16_a 120.0 . . ?
C14_a C15_a H15_a 120.0 . . ?
C16_a C15_a C14_a 120.0 . . ?
C16_a C15_a H15_a 120.0 . . ?
O8 C20 O9 125.0(6) . . ?
O8 C20 C21 120.3(7) . . ?
O9 C20 C21 114.6(7) . . ?
C20 C21 C24_a 110.6(9) . . ?
C20 C21 C23A_b 106.5(8) . . ?
C20 C21 C22A_b 104.1(8) . . ?
C22_a C21 C20 105.2(16) . . ?
C22_a C21 C23_a 82.3(14) . . ?
C22_a C21 C24_a 126.4(17) . . ?
C23_a C21 C20 109.4(9) . . ?
C23_a C21 C24_a 119.3(10) . . ?
C24A_b C21 C20 112.2(14) . . ?
C24A_b C21 C23A_b 111.4(17) . . ?
C24A_b C21 C22A_b 86.2(14) . . ?
C22A_b C21 C23A_b 134.8(11) . . ?
C21 C22_a H22A_a 109.5 . . ?
C21 C22_a H22B_a 109.5 . . ?
C21 C22_a H22C_a 109.5 . . ?
H22A_a C22_a H22B_a 109.5 . . ?
H22A_a C22_a H22C_a 109.5 . . ?
H22B_a C22_a H22C_a 109.5 . . ?
C21 C23_a H23A_a 109.5 . . ?
C21 C23_a H23B_a 109.5 . . ?
C21 C23_a H23C_a 109.5 . . ?
H23A_a C23_a H23B_a 109.5 . . ?
H23A_a C23_a H23C_a 109.5 . . ?
H23B_a C23_a H23C_a 109.5 . . ?
C21 C24_a H24A_a 109.5 . . ?
C21 C24_a H24B_a 109.5 . . ?
C21 C24_a H24C_a 109.5 . . ?
H24A_a C24_a H24B_a 109.5 . . ?
H24A_a C24_a H24C_a 109.5 . . ?
H24B_a C24_a H24C_a 109.5 . . ?
O6 C25 O6 126.8(8) 10_556 . ?
O6 C25 C26 116.6(4) 10_556 . ?
O6 C25 C26 116.6(4) . . ?
O7 C29 O7 124.1(8) . 10_556 ?
O7 C29 C30 117.9(4) . . ?
O7 C29 C30 118.0(4) 10_556 . ?
C31 C30 C29 105.8(7) . . ?
C32 C30 C29 109.7(5) 10_556 . ?
C32 C30 C29 109.7(5) . . ?
C32 C30 C31 110.6(5) . . ?
C32 C30 C31 110.6(5) 10_556 . ?
C32 C30 C32 110.4(9) 10_556 . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
H0AA C0AA H0AB 109.5 . . ?
H0AA C0AA H0AC 109.5 . . ?
H0AB C0AA H0AC 109.5 . . ?
C5AA C0AA H0AA 109.5 . . ?
C5AA C0AA H0AB 109.5 . . ?
C5AA C0AA H0AC 109.5 . . ?
N4 C5AA C0AA 176(2) . . ?
C17A_b C18A_b H18A_b 120.0 . . ?
C17A_b C18A_b C19A_b 120.0 . . ?
C19A_b C18A_b H18A_b 120.0 . . ?
C18A_b C17A_b H17A_b 120.0 . . ?
C16A_b C17A_b C18A_b 120.0 . . ?
C16A_b C17A_b H17A_b 120.0 . . ?
C17A_b C16A_b H16A_b 120.0 . . ?
C17A_b C16A_b C15A_b 120.0 . . ?
C15A_b C16A_b H16A_b 120.0 . . ?
C16A_b C15A_b H15A_b 120.0 . . ?
C14A_b C15A_b C16A_b 120.0 . . ?
C14A_b C15A_b H15A_b 120.0 . . ?
N3 C14A_b C15A_b 127.9(7) . . ?
N3 C14A_b C19A_b 112.0(7) . . ?
C19A_b C14A_b C15A_b 120.0 . . ?
C18A_b C19A_b H19A_b 120.0 . . ?
C14A_b C19A_b C18A_b 120.0 . . ?
C14A_b C19A_b H19A_b 120.0 . . ?
C10 C12A_b H12D_b 109.5 . . ?
C10 C12A_b H12E_b 109.5 . . ?
C10 C12A_b H12F_b 109.5 . . ?
H12D_b C12A_b H12E_b 109.5 . . ?
H12D_b C12A_b H12F_b 109.5 . . ?
H12E_b C12A_b H12F_b 109.5 . . ?
N2 C13A_b H13D_b 109.5 . . ?
N2 C13A_b H13E_b 109.5 . . ?
N2 C13A_b H13F_b 109.5 . . ?
H13D_b C13A_b H13E_b 109.5 . . ?
H13D_b C13A_b H13F_b 109.5 . . ?
H13E_b C13A_b H13F_b 109.5 . . ?
C21 C23A_b H23D_b 109.5 . . ?
C21 C23A_b H23E_b 109.5 . . ?
C21 C23A_b H23F_b 109.5 . . ?
H23D_b C23A_b H23E_b 109.5 . . ?
H23D_b C23A_b H23F_b 109.5 . . ?
H23E_b C23A_b H23F_b 109.5 . . ?
C21 C24A_b H24D_b 109.5 . . ?
C21 C24A_b H24E_b 109.5 . . ?
C21 C24A_b H24F_b 109.5 . . ?
H24D_b C24A_b H24E_b 109.5 . . ?
H24D_b C24A_b H24F_b 109.5 . . ?
H24E_b C24A_b H24F_b 109.5 . . ?
C21 C22A_b H22D_b 109.5 . . ?
C21 C22A_b H22E_b 109.5 . . ?
C21 C22A_b H22F_b 109.5 . . ?
H22D_b C22A_b H22E_b 109.5 . . ?
H22D_b C22A_b H22F_b 109.5 . . ?
H22E_b C22A_b H22F_b 109.5 . . ?
C25 C26 C28 106.0(8) . . ?
C27 C26 C25 113.7(6) . . ?
C27 C26 C25 113.7(6) 10_556 . ?
C27 C26 C27 124.4(14) 10_556 . ?
C27 C26 C28 96.7(9) 10_556 . ?
C27 C26 C28 96.7(9) . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O3 C2AA C3AA 165.0(5) . . . . ?
Dy1 O3 C2AA C7 -18.2(7) . . . . ?
Dy1 O4 C7 C2AA 24.4(6) . . . . ?
Dy1 O4 C7 C6 -157.4(6) . . . . ?
Dy1 O6 C25 O6 -1.5(14) . . . 10_556 ?
Dy1 O6 C25 C26 179.6(5) . . . . ?
Dy1 O7 C29 O7 5.2(13) . . . 10_556 ?
Dy1 O7 C29 C30 -173.2(5) . . . . ?
Dy1 O8 C20 O9 20.9(13) . . . . ?
Dy1 O8 C20 C21 -153.9(6) . . . . ?
Co1 O4 C7 C2AA -92.4(6) 4_665 . . . ?
Co1 O4 C7 C2AA 149.2(4) . . . . ?
Co1 O4 C7 C6 -32.5(8) . . . . ?
Co1 O4 C7 C6 85.8(7) 4_665 . . . ?
Co1 O5 C11 C9 4.1(6) . . . . ?
Co1 O5 C11 N3 176.6(4) . . . . ?
Co1 O9 C20 O8 -21.1(11) . . . . ?
Co1 O9 C20 C21 154.0(5) . . . . ?
Co1 N1 C8 C6 4.2(11) . . . . ?
Co1 N1 C9 C11 -0.4(6) . . . . ?
Co1 N1 C9 C10 -175.3(5) . . . . ?
O3 C2AA C3AA C4 178.8(7) . . . . ?
O3 C2AA C7 O4 -3.3(8) . . . . ?
O3 C2AA C7 C6 178.3(6) . . . . ?
O5 C11 C9 N1 -2.8(8) . . . . ?
O5 C11 C9 C10 173.5(7) . . . . ?
O5 C11 N3 N2 -173.8(7) . . . . ?
O5 C11 N3 C14_a -5.9(8) . . . . ?
O5 C11 N3 C14A_b -24.2(10) . . . . ?
O6 C25 C26 C27 164.6(11) . . . 10_556 ?
O6 C25 C26 C27 14.4(13) . . . . ?
O6 C25 C26 C27 -164.6(11) 10_556 . . . ?
O6 C25 C26 C27 -14.5(13) 10_556 . . 10_556 ?
O6 C25 C26 C28 90.5(6) 10_556 . . . ?
O6 C25 C26 C28 -90.5(6) . . . . ?
O7 C29 C30 C31 89.3(6) . . . . ?
O7 C29 C30 C31 -89.3(6) 10_556 . . . ?
O7 C29 C30 C32 -151.4(7) . . . 10_556 ?
O7 C29 C30 C32 30.1(10) 10_556 . . 10_556 ?
O7 C29 C30 C32 -30.1(10) . . . . ?
O7 C29 C30 C32 151.4(7) 10_556 . . . ?
O8 C20 C21 C22_a -90.8(15) . . . . ?
O8 C20 C21 C23_a -3.7(13) . . . . ?
O8 C20 C21 C24_a 129.7(10) . . . . ?
O8 C20 C21 C23A_b 32.1(13) . . . . ?
O8 C20 C21 C24A_b 154.2(15) . . . . ?
O8 C20 C21 C22A_b -114.2(10) . . . . ?
O9 C20 C21 C22_a 93.8(16) . . . . ?
O9 C20 C21 C23_a -179.1(9) . . . . ?
O9 C20 C21 C24_a -45.7(11) . . . . ?
O9 C20 C21 C23A_b -143.3(11) . . . . ?
O9 C20 C21 C24A_b -21.2(17) . . . . ?
O9 C20 C21 C22A_b 70.5(11) . . . . ?
N1 C9 C10 N2 175.2(8) . . . . ?
N1 C9 C10 C12_a -34.2(15) . . . . ?
N1 C9 C10 C12A_b 16.3(15) . . . . ?
C1AA O3 C2AA C3AA -5.0(9) . . . . ?
C1AA O3 C2AA C7 171.8(5) . . . . ?
C2AA C3AA C4 C5 -0.8(13) . . . . ?
C3AA C2AA C7 O4 173.6(6) . . . . ?
C3AA C2AA C7 C6 -4.7(10) . . . . ?
C3AA C4 C5 C6 1.8(14) . . . . ?
C4 C5 C6 C7 -4.2(13) . . . . ?
C4 C5 C6 C8 172.1(8) . . . . ?
C5 C6 C7 O4 -172.6(6) . . . . ?
C5 C6 C7 C2AA 5.6(11) . . . . ?
C5 C6 C8 N1 -171.4(8) . . . . ?
C7 C2AA C3AA C4 2.3(11) . . . . ?
C7 C6 C8 N1 4.6(13) . . . . ?
C8 N1 C9 C11 -171.3(6) . . . . ?
C8 N1 C9 C10 13.8(11) . . . . ?
C8 C6 C7 O4 11.4(11) . . . . ?
C8 C6 C7 C2AA -170.4(7) . . . . ?
C11 C9 C10 N2 0.0 . . . . ?
C11 C9 C10 C12_a 150.6(14) . . . . ?
C11 C9 C10 C12A_b -158.9(14) . . . . ?
C11 N3 C14_a C19_a 41.8(9) . . . . ?
C11 N3 C14_a C15_a -134.4(6) . . . . ?
C11 N3 C14A_b C15A_b -119.8(9) . . . . ?
C11 N3 C14A_b C19A_b 56.1(9) . . . . ?
C9 N1 C8 C6 173.5(7) . . . . ?
C9 C11 N3 N2 0.0 . . . . ?
C9 C11 N3 C14_a 167.8(6) . . . . ?
C9 C11 N3 C14A_b 149.6(9) . . . . ?
C9 C10 N2 N3 0.0 . . . . ?
C9 C10 N2 C13_a 137.4(13) . . . . ?
C9 C10 N2 C13A_b 143(2) . . . . ?
C10 N2 N3 C11 0.0 . . . . ?
C10 N2 N3 C14_a -166.2(7) . . . . ?
C10 N2 N3 C14A_b -156.7(7) . . . . ?
N2 N3 C14_a C19_a -153.4(6) . . . . ?
N2 N3 C14_a C15_a 30.4(9) . . . . ?
N2 N3 C14A_b C15A_b 28.9(10) . . . . ?
N2 N3 C14A_b C19A_b -155.3(5) . . . . ?
N3 C11 C9 N1 -176.3(6) . . . . ?
N3 C11 C9 C10 0.0 . . . . ?
N3 C14_a C19_a C18_a -176.0(9) . . . . ?
N3 C14_a C15_a C16_a 176.4(9) . . . . ?
N3 C14A_b C19A_b C18A_b -176.2(9) . . . . ?
C12_a C10 N2 N3 -152.9(13) . . . . ?
C12_a C10 N2 C13_a -15.5(17) . . . . ?
C12_a C10 N2 C13A_b -9(2) . . . . ?
C13_a N2 N3 C11 -133.1(14) . . . . ?
C13_a N2 N3 C14_a 60.7(15) . . . . ?
C13_a N2 N3 C14A_b 70.2(15) . . . . ?
C14_a N3 C14A_b C15A_b -173(3) . . . . ?
C14_a N3 C14A_b C19A_b 3(2) . . . . ?
C14_a C19_a C18_a C17_a 0.0 . . . . ?
C19_a C14_a C15_a C16_a 0.0 . . . . ?
C19_a C18_a C17_a C16_a 0.0 . . . . ?
C18_a C17_a C16_a C15_a 0.0 . . . . ?
C17_a C16_a C15_a C14_a 0.0 . . . . ?
C15_a C14_a C19_a C18_a 0.0 . . . . ?
C18A_b C17A_b C16A_b C15A_b 0.0 . . . . ?
C17A_b C18A_b C19A_b C14A_b 0.0 . . . . ?
C17A_b C16A_b C15A_b C14A_b 0.0 . . . . ?
C16A_b C15A_b C14A_b N3 175.6(11) . . . . ?
C16A_b C15A_b C14A_b C19A_b 0.0 . . . . ?
C15A_b C14A_b C19A_b C18A_b 0.0 . . . . ?
C14A_b N3 C14_a C19_a 180(100) . . . . ?
C14A_b N3 C14_a C15_a 3(2) . . . . ?
C19A_b C18A_b C17A_b C16A_b 0.0 . . . . ?
C12A_b C10 N2 N3 161.8(12) . . . . ?
C12A_b C10 N2 C13_a -60.7(16) . . . . ?
C12A_b C10 N2 C13A_b -55(2) . . . . ?
C13A_b N2 N3 C11 -156.3(12) . . . . ?
C13A_b N2 N3 C14_a 37.5(14) . . . . ?
C13A_b N2 N3 C14A_b 47.0(13) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.127 0.197 -0.686 6598.6 926.6 ?
2 0.202 0.727 0.402 9.3 8.6 ?
3 0.202 0.727 0.598 9.3 8.7 ?
4 0.273 0.476 0.402 9.3 8.4 ?
5 0.273 0.476 0.598 9.3 8.6 ?
6 0.333 0.667 0.199 9.9 0.0 ?
7 0.333 0.667 0.801 9.9 0.0 ?
8 0.333 0.667 0.375 7.3 7.7 ?
9 0.333 0.667 0.625 7.3 8.0 ?
10 0.476 0.202 0.402 9.3 8.5 ?
11 0.476 0.202 0.598 9.3 8.7 ?
12 0.524 0.798 0.402 9.3 8.4 ?
13 0.524 0.798 0.598 9.3 8.5 ?
14 0.667 0.333 0.199 9.9 0.0 ?
15 0.667 0.333 0.801 9.9 0.0 ?
16 0.667 0.333 0.375 7.3 7.7 ?
17 0.667 0.333 0.625 7.3 7.9 ?
18 0.727 0.524 0.402 9.3 8.4 ?
19 0.727 0.524 0.598 9.3 8.6 ?
20 0.798 0.273 0.402 9.3 8.3 ?
21 0.798 0.273 0.598 9.3 8.5 ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_2014ncs0911z
_database_code_depnum_ccdc_archive 'CCDC 1055921'
_audit_update_record             
;
2015-03-24 deposited with the CCDC.
2015-06-19 downloaded from the CCDC.
;
_audit_creation_date             2015-03-24
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C84 H117 Co2 Dy5 N6 O37, 4(C2 H3 N)'
_chemical_formula_sum            'C92 H129 Co2 Dy5 N10 O37'
_chemical_formula_weight         2897.40
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C78 H108 Co2 Dy5 N9 O38'
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'
Co Co 0.3494 0.9721 '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 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, z'
'x, -y-1/2, z-1/2'

_cell_length_a                   28.3983(4)
_cell_length_b                   17.1091(3)
_cell_length_c                   23.8614(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     11593.6(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    52276
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.5020
_cell_measurement_theta_min      2.5290
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.538
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.65009
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.660
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5724
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1091
_diffrn_reflns_av_unetI/netI     0.0429
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            150674
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_min         2.528
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_detector_type            'Rigaku HG Saturn724+ (2x2 bin mode)'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega -107.00   73.00   0.5000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.0000   -8.0000  -17.0000 360

#__ type_ start__ end____ width___ exp.time_
  2 omega  -81.50   22.00   0.5000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.0000  -72.0000 -115.0000 207

#__ type_ start__ end____ width___ exp.time_
  3 omega  -68.00   22.00   0.5000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.0000  -72.0000   81.0000 180

#__ type_ start__ end____ width___ exp.time_
  4 omega  -92.50  -30.00   0.5000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.0000  -40.0000  -17.0000 125

#__ type_ start__ end____ width___ exp.time_
  5 omega  -32.00  -16.00   0.5000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.0000   72.0000 -148.0000 32

#__ type_ start__ end____ width___ exp.time_
  6 omega -107.00    1.00   0.5000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.0000   -8.0000   49.0000 216
;
_diffrn_measurement_device       'four-circle κ diffractometer'
_diffrn_measurement_device_type  'Rigaku AFC12 (Right)'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support 'MiTeGen MicroMesh'
_diffrn_orient_matrix_UB_11      -0.0068975000
_diffrn_orient_matrix_UB_12      -0.0003373000
_diffrn_orient_matrix_UB_13      0.0285786000
_diffrn_orient_matrix_UB_21      0.0153304000
_diffrn_orient_matrix_UB_22      0.0318413000
_diffrn_orient_matrix_UB_23      0.0054487000
_diffrn_orient_matrix_UB_31      -0.0184664000
_diffrn_orient_matrix_UB_32      0.0265328000
_diffrn_orient_matrix_UB_33      -0.0061608000
_diffrn_radiation_collimation    0.3
_diffrn_radiation_monochromator  'Confocal mirrors, VHF Varimax'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating Anode'
_diffrn_source_current           55.0
_diffrn_source_power             2.475
_diffrn_source_target            Mo
_diffrn_source_type              'Rotating Anode'
_diffrn_source_voltage           45.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11412
_reflns_number_total             13272
_reflns_odcompleteness_completeness 99.87
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.42
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
'CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01)'
_computing_data_collection       'CrystalClear-SM Expert 3.1 b27 (Rigaku, 2013)'
_computing_data_reduction        
'CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         3.679
_refine_diff_density_min         -1.425
_refine_diff_density_rms         0.215
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.162
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     711
_refine_ls_number_reflns         13272
_refine_ls_number_restraints     1593
_refine_ls_R_factor_all          0.1005
_refine_ls_R_factor_gt           0.0911
_refine_ls_restrained_S_all      1.125
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0410P)²+279.9541P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2129
_refine_ls_wR_factor_ref         0.2165
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All O(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 N401-C401 = N441-C441
 1.16 with sigma of 0.02
 C401-C402 = C441-C442
 1.54 with sigma of 0.02
 C422-C421
 1.54 with sigma of 0.02
 C421-N421
 1.16 with sigma of 0.02
 O322-O323 \\sim O322-O321
 with sigma of 0.04
 N321-O322 \\sim N321-O323 \\sim N321-O321
 with sigma of 0.02
3. Restrained planarity
 O321, O322, O323, N321
 with sigma of 0.1
4. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 1.7A with sigma of 0.04 and sigma
for terminal atoms of 0.08
6. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
7. Others
 Fixed Sof: Dy1(0.5) O321(0.5) O322(0.5) O323(0.5) N321(0.5) N401(0.5)
 C401(0.5) C402(0.5) H40A(0.5) H40B(0.5) H40C(0.5)
8.a Ternary CH refined with riding coordinates:
 O1(H1), O2(H2), O3(H3)
8.b Me refined with riding coordinates:
 C422(H42A,H42B,H42C)
8.c Aromatic/amide H refined with riding coordinates:
 C107(H107), C108(H108), C109(H109), C110(H110), C111(H111), C114(H114),
 C118(H118), C119(H119), C120(H120)
8.d Idealised Me refined as rotating group:
 C112(H11A,H11B,H11C), C113(H11D,H11E,H11F), C121(H12A,H12B,H12C), C203(H20A,
 H20B,H20C), C204(H20D,H20E,H20F), C205(H20G,H20H,H20I), C223(H22A,H22B,H22C),
 C224(H22D,H22E,H22F), C225(H22G,H22H,H22I), C243(H24A,H24B,H24C), C244(H24D,
 H24E,H24F), C245(H24G,H24H,H24I), C263(H26A,H26B,H26C), C264(H26D,H26E,H26F),
 C265(H26G,H26H,H26I), C402(H40A,H40B,H40C), C442(H44A,H44B,H44C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.49701(3) 0.52124(6) 0.47052(5) 0.0340(2) Uani 0.5 1 d . U P A -1
Dy2 Dy 0.60464(2) 0.38776(3) 0.45356(3) 0.04114(16) Uani 1 1 d . U . . .
Dy3 Dy 0.48478(2) 0.30577(3) 0.43970(3) 0.04234(16) Uani 1 1 d . U . . .
Co1 Co 0.60807(5) 0.57857(9) 0.50151(7) 0.0404(4) Uani 1 1 d . U . . .
O1 O 0.5642(3) 0.5107(6) 0.4499(5) 0.068(2) Uani 1 1 d . U . . .
H1 H 0.5671 0.5279 0.4171 0.082 Uiso 1 1 calc R . . A .
O2 O 0.4522(3) 0.4279(5) 0.4444(5) 0.060(2) Uani 1 1 d . U . . .
H2 H 0.4424 0.4390 0.4121 0.072 Uiso 1 1 calc R . . A .
O3 O 0.4680(3) 0.6209(7) 0.4997(5) 0.080(3) Uani 1 1 d . U . . .
H3 H 0.4633 0.6493 0.4716 0.096 Uiso 1 1 calc R . . A .
O101 O 0.4176(3) 0.2426(5) 0.4117(4) 0.0427(16) Uani 1 1 d . U . . .
O102 O 0.6272(2) 0.4699(4) 0.5266(4) 0.0422(15) Uani 1 1 d . U . . .
O103 O 0.6244(4) 0.3257(5) 0.5544(4) 0.0599(19) Uani 1 1 d . U . . .
O201 O 0.5833(4) 0.2539(6) 0.4512(5) 0.070(2) Uani 1 1 d . U . . .
O202 O 0.5266(3) 0.2002(6) 0.4044(5) 0.065(2) Uani 1 1 d . U . . .
O221 O 0.4834(3) 0.3364(6) 0.3409(4) 0.0573(18) Uani 1 1 d . U . . .
O222 O 0.5473(3) 0.3743(5) 0.3838(4) 0.0491(15) Uani 1 1 d . U . . .
O241 O 0.4304(3) 0.3191(5) 0.5197(4) 0.0455(16) Uani 1 1 d . U . . .
O242 O 0.4782(3) 0.2189(5) 0.5199(4) 0.0587(19) Uani 1 1 d . U . . .
O261 O 0.6604(3) 0.5917(5) 0.4427(4) 0.054(2) Uani 1 1 d . U . . .
O262 O 0.6518(4) 0.4729(5) 0.4046(4) 0.0602(19) Uani 1 1 d . U . . .
O301 O 0.6834(3) 0.3416(6) 0.4623(5) 0.065(2) Uani 1 1 d . U . . .
O302 O 0.6552(3) 0.3207(5) 0.3799(5) 0.061(2) Uani 1 1 d . U . . .
O303 O 0.7290(4) 0.3030(9) 0.3940(6) 0.102(4) Uani 1 1 d . U . . .
O321 O 0.4840(12) 0.5650(17) 0.3811(15) 0.081(7) Uani 0.5 1 d D U P A 2
O322 O 0.4668(9) 0.6910(14) 0.3804(10) 0.084(6) Uani 0.5 1 d D U P A 2
O323 O 0.4703(14) 0.6307(19) 0.2991(11) 0.140(13) Uani 0.5 1 d D U P A 2
N101 N 0.3465(3) 0.3725(5) 0.4374(4) 0.0385(19) Uani 1 1 d . U . . .
N301 N 0.6896(4) 0.3205(8) 0.4113(6) 0.066(2) Uani 1 1 d . U . . .
N321 N 0.4736(8) 0.6270(14) 0.3529(9) 0.086(6) Uani 0.5 1 d D U P A 2
N401 N 0.4668(13) 0.571(2) 0.3767(16) 0.073(8) Uani 0.5 1 d D U P A 1
C101 C 0.3756(4) 0.2339(6) 0.4273(5) 0.039(2) Uani 1 1 d . U . . .
C102 C 0.3561(4) 0.1622(6) 0.4350(5) 0.039(2) Uani 1 1 d . U . . .
C103 C 0.3084(4) 0.1720(7) 0.4464(5) 0.045(2) Uani 1 1 d . U . . .
C104 C 0.2997(4) 0.2505(8) 0.4517(6) 0.054(3) Uani 1 1 d . U . . .
C105 C 0.3404(4) 0.2900(7) 0.4378(5) 0.042(2) Uani 1 1 d . U . . .
C106 C 0.3758(5) 0.0893(7) 0.4205(6) 0.050(2) Uani 1 1 d . U . . .
C107 C 0.3514(6) 0.0396(8) 0.3837(7) 0.061(3) Uani 1 1 d . U . . .
H107 H 0.3222 0.0552 0.3678 0.073 Uiso 1 1 calc R . . . .
C108 C 0.3710(6) -0.0337(8) 0.3709(7) 0.071(4) Uani 1 1 d . U . . .
H108 H 0.3547 -0.0690 0.3470 0.086 Uiso 1 1 calc R . . . .
C109 C 0.4144(6) -0.0539(9) 0.3935(7) 0.071(3) Uani 1 1 d . U . . .
H109 H 0.4268 -0.1044 0.3861 0.085 Uiso 1 1 calc R . . . .
C110 C 0.4408(6) -0.0023(8) 0.4270(7) 0.065(3) Uani 1 1 d . U . . .
H110 H 0.4716 -0.0151 0.4398 0.078 Uiso 1 1 calc R . . . .
C111 C 0.4193(5) 0.0692(8) 0.4406(6) 0.056(3) Uani 1 1 d . U . . .
H111 H 0.4354 0.1046 0.4645 0.067 Uiso 1 1 calc R . . . .
C112 C 0.2840(6) 0.1108(9) 0.4789(7) 0.070(4) Uani 1 1 d . U . . .
H11A H 0.2851 0.0614 0.4582 0.105 Uiso 1 1 calc GR . . . .
H11B H 0.2512 0.1262 0.4849 0.105 Uiso 1 1 calc GR . . . .
H11C H 0.2997 0.1043 0.5152 0.105 Uiso 1 1 calc GR . . . .
C113 C 0.2525(5) 0.2835(9) 0.4707(8) 0.071(5) Uani 1 1 d . U . . .
H11D H 0.2269 0.2537 0.4533 0.107 Uiso 1 1 calc GR . . . .
H11E H 0.2502 0.3384 0.4593 0.107 Uiso 1 1 calc GR . . . .
H11F H 0.2501 0.2797 0.5115 0.107 Uiso 1 1 calc GR . . . .
C114 C 0.3194(4) 0.4110(7) 0.4068(6) 0.046(2) Uani 1 1 d . U . . .
H114 H 0.2972 0.3817 0.3857 0.055 Uiso 1 1 calc R . . . .
C115 C 0.3178(4) 0.4971(8) 0.3994(6) 0.048(3) Uani 1 1 d . U . . .
C116 C 0.3457(4) 0.5489(7) 0.4300(5) 0.045(2) Uani 1 1 d . U . . .
C117 C 0.3453(5) 0.6288(8) 0.4147(6) 0.054(3) Uani 1 1 d . U . . .
C118 C 0.3169(7) 0.6549(9) 0.3721(7) 0.076(5) Uani 1 1 d . U . . .
H118 H 0.3176 0.7085 0.3616 0.092 Uiso 1 1 calc R . . . .
C119 C 0.2870(7) 0.6030(9) 0.3441(8) 0.077(5) Uani 1 1 d . U . . .
H119 H 0.2661 0.6217 0.3160 0.093 Uiso 1 1 calc R . . . .
C120 C 0.2878(5) 0.5252(8) 0.3574(7) 0.063(4) Uani 1 1 d . U . . .
H120 H 0.2679 0.4899 0.3379 0.075 Uiso 1 1 calc R . . . .
C121 C 0.6153(8) 0.2491(9) 0.5764(7) 0.088(6) Uani 1 1 d . U . . .
H12A H 0.5894 0.2250 0.5555 0.133 Uiso 1 1 calc GR . . . .
H12B H 0.6067 0.2531 0.6160 0.133 Uiso 1 1 calc GR . . . .
H12C H 0.6437 0.2168 0.5726 0.133 Uiso 1 1 calc GR . . . .
C201 C 0.5676(5) 0.1981(8) 0.4227(7) 0.061(2) Uani 1 1 d . U . . .
C202 C 0.5977(6) 0.1270(10) 0.4105(8) 0.073(3) Uani 1 1 d . U . . .
C203 C 0.5681(6) 0.0571(9) 0.4114(9) 0.085(4) Uani 1 1 d . U . . .
H20A H 0.5502 0.0555 0.4465 0.128 Uiso 1 1 calc GR . . . .
H20B H 0.5880 0.0104 0.4087 0.128 Uiso 1 1 calc GR . . . .
H20C H 0.5462 0.0584 0.3796 0.128 Uiso 1 1 calc GR . . . .
C204 C 0.6363(7) 0.1177(14) 0.4536(9) 0.102(5) Uani 1 1 d . U . . .
H20D H 0.6577 0.1626 0.4516 0.153 Uiso 1 1 calc GR . . . .
H20E H 0.6540 0.0696 0.4460 0.153 Uiso 1 1 calc GR . . . .
H20F H 0.6224 0.1148 0.4911 0.153 Uiso 1 1 calc GR . . . .
C205 C 0.6191(6) 0.1386(9) 0.3514(8) 0.078(4) Uani 1 1 d . U . . .
H20G H 0.5945 0.1323 0.3231 0.118 Uiso 1 1 calc GR . . . .
H20H H 0.6439 0.0997 0.3452 0.118 Uiso 1 1 calc GR . . . .
H20I H 0.6326 0.1912 0.3487 0.118 Uiso 1 1 calc GR . . . .
C221 C 0.5243(5) 0.3672(8) 0.3388(6) 0.054(2) Uani 1 1 d . U . . .
C222 C 0.5457(6) 0.3952(11) 0.2837(7) 0.071(3) Uani 1 1 d . U . . .
C223 C 0.5771(9) 0.3287(13) 0.2632(10) 0.113(6) Uani 1 1 d . U . . .
H22A H 0.5995 0.3145 0.2928 0.169 Uiso 1 1 calc GR . . . .
H22B H 0.5945 0.3456 0.2298 0.169 Uiso 1 1 calc GR . . . .
H22C H 0.5577 0.2832 0.2538 0.169 Uiso 1 1 calc GR . . . .
C224 C 0.5751(8) 0.4663(12) 0.2914(8) 0.098(5) Uani 1 1 d . U . . .
H22D H 0.5553 0.5094 0.3048 0.147 Uiso 1 1 calc GR . . . .
H22E H 0.5896 0.4808 0.2556 0.147 Uiso 1 1 calc GR . . . .
H22F H 0.5999 0.4556 0.3190 0.147 Uiso 1 1 calc GR . . . .
C225 C 0.5087(8) 0.4165(15) 0.2407(9) 0.109(6) Uani 1 1 d . U . . .
H22G H 0.4891 0.3707 0.2326 0.163 Uiso 1 1 calc GR . . . .
H22H H 0.5241 0.4341 0.2062 0.163 Uiso 1 1 calc GR . . . .
H22I H 0.4888 0.4586 0.2554 0.163 Uiso 1 1 calc GR . . . .
C241 C 0.4453(5) 0.2565(8) 0.5422(6) 0.054(2) Uani 1 1 d . U . . .
C242 C 0.4224(6) 0.2289(9) 0.5961(7) 0.069(3) Uani 1 1 d . U . . .
C243 C 0.4515(8) 0.1631(11) 0.6221(8) 0.088(5) Uani 1 1 d . U . . .
H24A H 0.4552 0.1208 0.5948 0.132 Uiso 1 1 calc GR . . . .
H24B H 0.4354 0.1432 0.6555 0.132 Uiso 1 1 calc GR . . . .
H24C H 0.4826 0.1832 0.6326 0.132 Uiso 1 1 calc GR . . . .
C244 C 0.4162(8) 0.2962(11) 0.6377(7) 0.093(5) Uani 1 1 d . U . . .
H24D H 0.4007 0.2768 0.6717 0.140 Uiso 1 1 calc GR . . . .
H24E H 0.3968 0.3372 0.6206 0.140 Uiso 1 1 calc GR . . . .
H24F H 0.4471 0.3177 0.6474 0.140 Uiso 1 1 calc GR . . . .
C245 C 0.3728(7) 0.1951(12) 0.5813(7) 0.083(4) Uani 1 1 d . U . . .
H24G H 0.3764 0.1527 0.5539 0.125 Uiso 1 1 calc GR . . . .
H24H H 0.3532 0.2365 0.5652 0.125 Uiso 1 1 calc GR . . . .
H24I H 0.3579 0.1748 0.6153 0.125 Uiso 1 1 calc GR . . . .
C261 C 0.6717(6) 0.5392(8) 0.4092(7) 0.063(3) Uani 1 1 d . U . . .
C262 C 0.7130(7) 0.5554(11) 0.3681(8) 0.082(4) Uani 1 1 d . U . . .
C263 C 0.7027(7) 0.5225(12) 0.3112(8) 0.093(5) Uani 1 1 d . U . . .
H26A H 0.6943 0.4672 0.3147 0.140 Uiso 1 1 calc GR . . . .
H26B H 0.7307 0.5277 0.2874 0.140 Uiso 1 1 calc GR . . . .
H26C H 0.6765 0.5512 0.2943 0.140 Uiso 1 1 calc GR . . . .
C264 C 0.7544(7) 0.5138(13) 0.3928(9) 0.100(5) Uani 1 1 d . U . . .
H26D H 0.7595 0.5320 0.4313 0.149 Uiso 1 1 calc GR . . . .
H26E H 0.7825 0.5247 0.3703 0.149 Uiso 1 1 calc GR . . . .
H26F H 0.7484 0.4574 0.3931 0.149 Uiso 1 1 calc GR . . . .
C265 C 0.7263(9) 0.6365(11) 0.3661(9) 0.110(6) Uani 1 1 d . U . . .
H26G H 0.6998 0.6677 0.3522 0.165 Uiso 1 1 calc GR . . . .
H26H H 0.7533 0.6429 0.3409 0.165 Uiso 1 1 calc GR . . . .
H26I H 0.7349 0.6543 0.4038 0.165 Uiso 1 1 calc GR . . . .
C401 C 0.4399(12) 0.556(2) 0.3418(14) 0.086(8) Uani 0.5 1 d D U P A 1
C402 C 0.4062(13) 0.530(4) 0.2949(15) 0.132(17) Uani 0.5 1 d D U P A 1
H40A H 0.4200 0.5423 0.2584 0.198 Uiso 0.5 1 calc GR . P A 1
H40B H 0.3760 0.5573 0.2989 0.198 Uiso 0.5 1 calc GR . P A 1
H40C H 0.4009 0.4734 0.2976 0.198 Uiso 0.5 1 calc GR . P A 1
N441 N 0.2815(6) 0.8417(10) 0.3220(8) 0.093(5) Uani 1 1 d D U . . .
C441 C 0.2697(10) 0.8217(12) 0.2799(9) 0.117(8) Uani 1 1 d D U . . .
C442 C 0.2427(16) 0.801(3) 0.2271(13) 0.26(2) Uani 1 1 d D U . . .
H44A H 0.2626 0.8104 0.1943 0.391 Uiso 1 1 calc GR . . . .
H44B H 0.2143 0.8331 0.2246 0.391 Uiso 1 1 calc GR . . . .
H44C H 0.2338 0.7455 0.2283 0.391 Uiso 1 1 calc GR . . . .
N421 N 0.4473(13) 0.157(2) 0.2980(14) 0.223(16) Uani 1 1 d D U . . .
C421 C 0.4070(14) 0.174(2) 0.2896(13) 0.212(17) Uani 1 1 d D U . . .
C422 C 0.3539(13) 0.196(2) 0.2899(10) 0.199(17) Uani 1 1 d D U . . .
H42A H 0.3427 0.2021 0.2513 0.299 Uiso 1 1 calc R . . . .
H42B H 0.3358 0.1551 0.3087 0.299 Uiso 1 1 calc R . . . .
H42C H 0.3497 0.2458 0.3100 0.299 Uiso 1 1 calc R . . . .


_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 Dy2 3.8368(11) . ?
Dy1 Dy3 3.7752(11) . ?
Dy1 Co1 3.3846(17) . ?
Dy1 O1 1.979(10) . ?
Dy1 O2 2.135(9) . ?
Dy1 O3 2.018(11) . ?
Dy1 O321 2.29(3) . ?
Dy1 N401 2.54(3) . ?
Dy2 Dy3 3.6964(7) . ?
Dy2 Co1 3.4606(16) . ?
Dy2 O1 2.398(9) . ?
Dy2 O3 2.350(10) 5_666 ?
Dy2 O102 2.329(8) . ?
Dy2 O103 2.690(10) . ?
Dy2 O201 2.370(10) . ?
Dy2 O222 2.339(9) . ?
Dy2 O262 2.299(10) . ?
Dy2 O301 2.381(9) . ?
Dy2 O302 2.543(10) . ?
Dy2 N301 2.857(12) . ?
Dy3 O2 2.287(9) . ?
Dy3 O3 2.336(9) 5_666 ?
Dy3 O101 2.291(8) . ?
Dy3 O202 2.320(9) . ?
Dy3 O221 2.416(10) . ?
Dy3 O222 2.512(9) . ?
Dy3 O241 2.465(9) . ?
Dy3 O242 2.430(10) . ?
Dy3 C201 3.015(15) . ?
Dy3 C221 2.857(15) . ?
Dy3 C241 2.820(15) . ?
Co1 O1 2.103(9) . ?
Co1 O2 2.148(9) 5_666 ?
Co1 O102 2.028(8) . ?
Co1 O241 2.126(8) 5_666 ?
Co1 O261 2.056(9) . ?
Co1 N101 2.119(9) 5_666 ?
O1 H1 0.8400 . ?
O2 Co1 2.148(9) 5_666 ?
O2 H2 0.8400 . ?
O3 Dy2 2.350(10) 5_666 ?
O3 Dy3 2.336(9) 5_666 ?
O3 H3 0.8400 . ?
O101 C101 1.260(13) . ?
O102 C116 1.329(14) 5_666 ?
O103 C117 1.374(16) 5_666 ?
O103 C121 1.435(17) . ?
O201 C201 1.255(17) . ?
O202 C201 1.245(18) . ?
O221 C221 1.275(15) . ?
O222 C221 1.264(16) . ?
O241 Co1 2.126(8) 5_666 ?
O241 C241 1.271(15) . ?
O242 C241 1.251(16) . ?
O261 C261 1.246(16) . ?
O262 C261 1.271(16) . ?
O301 N301 1.282(16) . ?
O302 N301 1.231(16) . ?
O303 N301 1.229(16) . ?
O321 N321 1.29(2) . ?
O322 N321 1.29(2) . ?
O323 N321 1.29(2) . ?
N101 Co1 2.119(9) 5_666 ?
N101 C105 1.422(14) . ?
N101 C114 1.250(15) . ?
N401 C401 1.158(19) . ?
C101 C102 1.359(15) . ?
C101 C105 1.407(16) . ?
C102 C103 1.391(15) . ?
C102 C106 1.410(16) . ?
C103 C104 1.372(18) . ?
C103 C112 1.474(17) . ?
C104 C105 1.380(16) . ?
C104 C113 1.522(18) . ?
C106 C107 1.406(19) . ?
C106 C111 1.37(2) . ?
C107 H107 0.9500 . ?
C107 C108 1.40(2) . ?
C108 H108 0.9500 . ?
C108 C109 1.39(2) . ?
C109 H109 0.9500 . ?
C109 C110 1.41(2) . ?
C110 H110 0.9500 . ?
C110 C111 1.405(19) . ?
C111 H111 0.9500 . ?
C112 H11A 0.9800 . ?
C112 H11B 0.9800 . ?
C112 H11C 0.9800 . ?
C113 H11D 0.9800 . ?
C113 H11E 0.9800 . ?
C113 H11F 0.9800 . ?
C114 H114 0.9500 . ?
C114 C115 1.484(17) . ?
C115 C116 1.395(17) . ?
C115 C120 1.401(18) . ?
C116 O102 1.329(14) 5_666 ?
C116 C117 1.415(18) . ?
C117 O103 1.374(16) 5_666 ?
C117 C118 1.37(2) . ?
C118 H118 0.9500 . ?
C118 C119 1.40(2) . ?
C119 H119 0.9500 . ?
C119 C120 1.37(2) . ?
C120 H120 0.9500 . ?
C121 H12A 0.9800 . ?
C121 H12B 0.9800 . ?
C121 H12C 0.9800 . ?
C201 C202 1.52(2) . ?
C202 C203 1.46(2) . ?
C202 C204 1.51(3) . ?
C202 C205 1.55(2) . ?
C203 H20A 0.9800 . ?
C203 H20B 0.9800 . ?
C203 H20C 0.9800 . ?
C204 H20D 0.9800 . ?
C204 H20E 0.9800 . ?
C204 H20F 0.9800 . ?
C205 H20G 0.9800 . ?
C205 H20H 0.9800 . ?
C205 H20I 0.9800 . ?
C221 C222 1.53(2) . ?
C222 C223 1.53(3) . ?
C222 C224 1.49(2) . ?
C222 C225 1.51(3) . ?
C223 H22A 0.9800 . ?
C223 H22B 0.9800 . ?
C223 H22C 0.9800 . ?
C224 H22D 0.9800 . ?
C224 H22E 0.9800 . ?
C224 H22F 0.9800 . ?
C225 H22G 0.9800 . ?
C225 H22H 0.9800 . ?
C225 H22I 0.9800 . ?
C241 C242 1.52(2) . ?
C242 C243 1.53(2) . ?
C242 C244 1.53(2) . ?
C242 C245 1.56(3) . ?
C243 H24A 0.9800 . ?
C243 H24B 0.9800 . ?
C243 H24C 0.9800 . ?
C244 H24D 0.9800 . ?
C244 H24E 0.9800 . ?
C244 H24F 0.9800 . ?
C245 H24G 0.9800 . ?
C245 H24H 0.9800 . ?
C245 H24I 0.9800 . ?
C261 C262 1.56(2) . ?
C262 C263 1.50(3) . ?
C262 C264 1.50(3) . ?
C262 C265 1.44(2) . ?
C263 H26A 0.9800 . ?
C263 H26B 0.9800 . ?
C263 H26C 0.9800 . ?
C264 H26D 0.9800 . ?
C264 H26E 0.9800 . ?
C264 H26F 0.9800 . ?
C265 H26G 0.9800 . ?
C265 H26H 0.9800 . ?
C265 H26I 0.9800 . ?
C401 C402 1.540(19) . ?
C402 H40A 0.9800 . ?
C402 H40B 0.9800 . ?
C402 H40C 0.9800 . ?
N441 C441 1.114(16) . ?
C441 C442 1.517(18) . ?
C442 H44A 0.9800 . ?
C442 H44B 0.9800 . ?
C442 H44C 0.9800 . ?
N421 C421 1.199(19) . ?
C421 C422 1.557(19) . ?
C422 H42A 0.9800 . ?
C422 H42B 0.9800 . ?
C422 H42C 0.9800 . ?

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
Dy3 Dy1 Dy2 58.097(19) . . ?
Co1 Dy1 Dy2 56.85(3) . . ?
Co1 Dy1 Dy3 114.29(4) . . ?
O1 Dy1 Dy2 31.9(3) . . ?
O1 Dy1 Dy3 87.2(3) . . ?
O1 Dy1 Co1 35.2(3) . . ?
O1 Dy1 O2 115.7(3) . . ?
O1 Dy1 O3 123.8(4) . . ?
O1 Dy1 O321 87.4(9) . . ?
O1 Dy1 N401 97.9(10) . . ?
O2 Dy1 Dy2 89.9(2) . . ?
O2 Dy1 Dy3 32.6(2) . . ?
O2 Dy1 Co1 146.7(2) . . ?
O2 Dy1 O321 82.9(8) . . ?
O2 Dy1 N401 77.9(9) . . ?
O3 Dy1 Dy2 149.8(3) . . ?
O3 Dy1 Dy3 148.8(3) . . ?
O3 Dy1 Co1 93.4(3) . . ?
O3 Dy1 O2 119.4(3) . . ?
O3 Dy1 O321 88.8(9) . . ?
O3 Dy1 N401 83.4(10) . . ?
O321 Dy1 Dy2 103.0(9) . . ?
O321 Dy1 Dy3 97.1(8) . . ?
O321 Dy1 Co1 105.0(9) . . ?
N401 Dy1 Dy2 112.0(10) . . ?
N401 Dy1 Dy3 97.0(8) . . ?
N401 Dy1 Co1 114.3(9) . . ?
Co1 Dy2 Dy3 114.42(3) . . ?
O1 Dy2 Dy3 83.6(2) . . ?
O1 Dy2 Co1 36.7(2) . . ?
O1 Dy2 O103 118.6(4) . . ?
O1 Dy2 O302 129.8(4) . . ?
O1 Dy2 N301 138.2(4) . . ?
O3 Dy2 Dy3 37.8(2) 5_666 . ?
O3 Dy2 Co1 85.8(3) 5_666 . ?
O3 Dy2 O1 69.6(4) 5_666 . ?
O3 Dy2 O103 74.6(4) 5_666 . ?
O3 Dy2 O201 74.1(4) 5_666 . ?
O3 Dy2 O301 139.7(4) 5_666 . ?
O3 Dy2 O302 142.7(3) 5_666 . ?
O3 Dy2 N301 152.1(4) 5_666 . ?
O102 Dy2 Dy3 123.30(19) . . ?
O102 Dy2 Co1 34.5(2) . . ?
O102 Dy2 O1 68.3(3) . . ?
O102 Dy2 O3 85.7(3) . 5_666 ?
O102 Dy2 O103 60.7(3) . . ?
O102 Dy2 O201 132.1(3) . . ?
O102 Dy2 O222 141.6(3) . . ?
O102 Dy2 O301 82.9(3) . . ?
O102 Dy2 O302 129.4(3) . . ?
O102 Dy2 N301 106.0(3) . . ?
O103 Dy2 Dy3 97.0(2) . . ?
O103 Dy2 Co1 94.0(2) . . ?
O103 Dy2 N301 88.9(4) . . ?
O201 Dy2 Dy3 52.8(3) . . ?
O201 Dy2 Co1 157.9(3) . . ?
O201 Dy2 O1 136.4(4) . . ?
O201 Dy2 O103 72.1(3) . . ?
O201 Dy2 O301 85.5(4) . . ?
O201 Dy2 O302 72.1(4) . . ?
O201 Dy2 N301 79.5(4) . . ?
O222 Dy2 Dy3 42.1(2) . . ?
O222 Dy2 Co1 110.3(2) . . ?
O222 Dy2 O1 74.1(3) . . ?
O222 Dy2 O3 73.7(4) . 5_666 ?
O222 Dy2 O103 138.0(3) . . ?
O222 Dy2 O201 73.2(4) . . ?
O222 Dy2 O301 133.1(3) . . ?
O222 Dy2 O302 81.8(3) . . ?
O222 Dy2 N301 107.3(4) . . ?
O262 Dy2 Dy3 137.0(3) . . ?
O262 Dy2 Co1 63.5(2) . . ?
O262 Dy2 O1 72.8(4) . . ?
O262 Dy2 O3 142.5(4) . 5_666 ?
O262 Dy2 O102 80.7(3) . . ?
O262 Dy2 O103 125.7(3) . . ?
O262 Dy2 O201 138.6(4) . . ?
O262 Dy2 O222 96.1(3) . . ?
O262 Dy2 O301 73.0(4) . . ?
O262 Dy2 O302 66.7(3) . . ?
O262 Dy2 N301 65.4(4) . . ?
O301 Dy2 Dy3 138.3(3) . . ?
O301 Dy2 Co1 104.9(3) . . ?
O301 Dy2 O1 138.1(3) . . ?
O301 Dy2 O103 66.1(4) . . ?
O301 Dy2 O302 51.7(4) . . ?
O301 Dy2 N301 26.4(4) . . ?
O302 Dy2 Dy3 106.7(2) . . ?
O302 Dy2 Co1 129.7(2) . . ?
O302 Dy2 O103 108.8(3) . . ?
O302 Dy2 N301 25.5(3) . . ?
N301 Dy2 Dy3 126.4(3) . . ?
N301 Dy2 Co1 118.2(3) . . ?
O2 Dy3 Dy2 91.2(2) . . ?
O2 Dy3 O3 73.2(4) . 5_666 ?
O2 Dy3 O101 96.2(3) . . ?
O2 Dy3 O202 159.3(4) . . ?
O2 Dy3 O221 81.0(4) . . ?
O2 Dy3 O222 83.4(3) . . ?
O2 Dy3 O241 68.0(3) . . ?
O2 Dy3 O242 119.3(3) . . ?
O2 Dy3 C201 151.6(3) . . ?
O2 Dy3 C221 82.2(4) . . ?
O2 Dy3 C241 94.0(4) . . ?
O3 Dy3 Dy2 38.1(2) 5_666 . ?
O3 Dy3 O221 119.7(4) 5_666 . ?
O3 Dy3 O222 70.8(4) 5_666 . ?
O3 Dy3 O241 80.2(3) 5_666 . ?
O3 Dy3 O242 83.4(4) 5_666 . ?
O3 Dy3 C201 87.9(4) 5_666 . ?
O3 Dy3 C221 95.6(4) 5_666 . ?
O3 Dy3 C241 81.5(4) 5_666 . ?
O101 Dy3 Dy2 166.3(2) . . ?
O101 Dy3 O3 155.6(3) . 5_666 ?
O101 Dy3 O202 87.3(3) . . ?
O101 Dy3 O221 78.7(3) . . ?
O101 Dy3 O222 130.9(3) . . ?
O101 Dy3 O241 75.4(3) . . ?
O101 Dy3 O242 82.9(3) . . ?
O101 Dy3 C201 108.8(3) . . ?
O101 Dy3 C221 104.8(3) . . ?
O101 Dy3 C241 77.4(4) . . ?
O202 Dy3 Dy2 81.8(2) . . ?
O202 Dy3 O3 110.4(4) . 5_666 ?
O202 Dy3 O221 79.8(4) . . ?
O202 Dy3 O222 79.0(3) . . ?
O202 Dy3 O241 132.3(3) . . ?
O202 Dy3 O242 81.4(4) . . ?
O202 Dy3 C201 22.5(4) . . ?
O202 Dy3 C221 77.2(4) . . ?
O202 Dy3 C241 106.6(4) . . ?
O221 Dy3 Dy2 91.1(2) . . ?
O221 Dy3 O222 52.5(3) . . ?
O221 Dy3 O241 136.5(3) . . ?
O221 Dy3 O242 154.2(3) . . ?
O221 Dy3 C201 90.8(4) . . ?
O221 Dy3 C221 26.3(3) . . ?
O221 Dy3 C241 154.9(4) . . ?
O222 Dy3 Dy2 38.7(2) . . ?
O222 Dy3 C201 70.3(3) . . ?
O222 Dy3 C221 26.2(3) . . ?
O222 Dy3 C241 151.8(4) . . ?
O241 Dy3 Dy2 118.17(19) . . ?
O241 Dy3 O222 144.1(3) . . ?
O241 Dy3 C201 130.5(4) . . ?
O241 Dy3 C221 149.8(4) . . ?
O241 Dy3 C241 26.8(3) . . ?
O242 Dy3 Dy2 103.5(2) . . ?
O242 Dy3 O222 139.3(3) . . ?
O242 Dy3 O241 53.0(3) . . ?
O242 Dy3 C201 78.0(4) . . ?
O242 Dy3 C221 156.8(4) . . ?
O242 Dy3 C241 26.2(3) . . ?
C201 Dy3 Dy2 61.7(3) . . ?
C221 Dy3 Dy2 64.8(3) . . ?
C221 Dy3 C201 78.8(4) . . ?
C241 Dy3 Dy2 113.7(3) . . ?
C241 Dy3 C201 104.1(4) . . ?
C241 Dy3 C221 175.8(4) . . ?
Dy1 Co1 Dy2 68.17(3) . . ?
O1 Co1 Dy1 32.8(3) . . ?
O1 Co1 Dy2 43.0(2) . . ?
O1 Co1 O2 81.5(4) . 5_666 ?
O1 Co1 O241 90.6(3) . 5_666 ?
O1 Co1 N101 169.2(4) . 5_666 ?
O2 Co1 Dy1 51.2(3) 5_666 . ?
O2 Co1 Dy2 97.4(2) 5_666 . ?
O102 Co1 Dy1 92.8(2) . . ?
O102 Co1 Dy2 40.6(2) . . ?
O102 Co1 O1 79.9(4) . . ?
O102 Co1 O2 89.3(3) . 5_666 ?
O102 Co1 O241 164.5(3) . 5_666 ?
O102 Co1 O261 96.3(3) . . ?
O102 Co1 N101 89.8(3) . 5_666 ?
O241 Co1 Dy1 73.0(2) 5_666 . ?
O241 Co1 Dy2 133.1(2) 5_666 . ?
O241 Co1 O2 77.0(4) 5_666 5_666 ?
O261 Co1 Dy1 123.8(3) . . ?
O261 Co1 Dy2 84.1(3) . . ?
O261 Co1 O1 95.1(4) . . ?
O261 Co1 O2 172.8(4) . 5_666 ?
O261 Co1 O241 96.8(4) . 5_666 ?
O261 Co1 N101 89.2(4) . 5_666 ?
N101 Co1 Dy1 146.3(3) 5_666 . ?
N101 Co1 Dy2 128.1(3) 5_666 . ?
N101 Co1 O2 95.3(4) 5_666 5_666 ?
N101 Co1 O241 98.7(3) 5_666 5_666 ?
Dy1 O1 Dy2 122.2(5) . . ?
Dy1 O1 Co1 112.0(5) . . ?
Dy1 O1 H1 107.1 . . ?
Dy2 O1 H1 107.1 . . ?
Co1 O1 Dy2 100.3(4) . . ?
Co1 O1 H1 107.1 . . ?
Dy1 O2 Dy3 117.2(4) . . ?
Dy1 O2 Co1 109.7(4) . 5_666 ?
Dy1 O2 H2 107.2 . . ?
Dy3 O2 H2 107.2 . . ?
Co1 O2 Dy3 107.7(4) 5_666 . ?
Co1 O2 H2 107.2 5_666 . ?
Dy1 O3 Dy2 118.0(5) . 5_666 ?
Dy1 O3 Dy3 115.7(5) . 5_666 ?
Dy1 O3 H3 106.0 . . ?
Dy2 O3 H3 106.0 5_666 . ?
Dy3 O3 Dy2 104.2(4) 5_666 5_666 ?
Dy3 O3 H3 106.0 5_666 . ?
C101 O101 Dy3 139.4(8) . . ?
Co1 O102 Dy2 105.0(4) . . ?
C116 O102 Dy2 126.6(7) 5_666 . ?
C116 O102 Co1 127.3(7) 5_666 . ?
C117 O103 Dy2 112.8(8) 5_666 . ?
C117 O103 C121 115.7(12) 5_666 . ?
C121 O103 Dy2 130.5(9) . . ?
C201 O201 Dy2 147.0(11) . . ?
C201 O202 Dy3 112.0(9) . . ?
C221 O221 Dy3 96.5(9) . . ?
Dy2 O222 Dy3 99.2(3) . . ?
C221 O222 Dy2 167.0(9) . . ?
C221 O222 Dy3 92.3(8) . . ?
Co1 O241 Dy3 102.3(4) 5_666 . ?
C241 O241 Dy3 92.4(8) . . ?
C241 O241 Co1 165.1(9) . 5_666 ?
C241 O242 Dy3 94.6(8) . . ?
C261 O261 Co1 123.0(9) . . ?
C261 O262 Dy2 141.2(10) . . ?
N301 O301 Dy2 98.0(8) . . ?
N301 O302 Dy2 91.7(8) . . ?
C105 N101 Co1 117.5(8) . 5_666 ?
C114 N101 Co1 124.7(8) . 5_666 ?
C114 N101 C105 116.9(10) . . ?
O301 N301 Dy2 55.6(6) . . ?
O302 N301 Dy2 62.8(7) . . ?
O302 N301 O301 117.9(12) . . ?
O303 N301 Dy2 170.0(12) . . ?
O303 N301 O301 120.8(14) . . ?
O303 N301 O302 121.2(15) . . ?
O322 N321 O321 118(2) . . ?
O322 N321 O323 117(2) . . ?
O323 N321 O321 125(3) . . ?
C401 N401 Dy1 142(3) . . ?
O101 C101 C102 122.3(11) . . ?
O101 C101 C105 130.1(10) . . ?
C102 C101 C105 107.6(10) . . ?
C101 C102 C103 108.3(10) . . ?
C101 C102 C106 127.1(10) . . ?
C103 C102 C106 122.8(10) . . ?
C102 C103 C112 118.3(12) . . ?
C104 C103 C102 108.2(10) . . ?
C104 C103 C112 124.2(12) . . ?
C103 C104 C105 107.8(11) . . ?
C103 C104 C113 123.3(11) . . ?
C105 C104 C113 128.9(12) . . ?
C101 C105 N101 126.1(10) . . ?
C104 C105 N101 126.1(11) . . ?
C104 C105 C101 107.7(10) . . ?
C107 C106 C102 119.5(13) . . ?
C111 C106 C102 119.7(12) . . ?
C111 C106 C107 120.8(13) . . ?
C106 C107 H107 120.6 . . ?
C108 C107 C106 118.8(16) . . ?
C108 C107 H107 120.6 . . ?
C107 C108 H108 120.4 . . ?
C109 C108 C107 119.2(15) . . ?
C109 C108 H108 120.4 . . ?
C108 C109 H109 118.7 . . ?
C108 C109 C110 122.5(15) . . ?
C110 C109 H109 118.7 . . ?
C109 C110 H110 121.8 . . ?
C111 C110 C109 116.4(16) . . ?
C111 C110 H110 121.8 . . ?
C106 C111 C110 122.1(14) . . ?
C106 C111 H111 119.0 . . ?
C110 C111 H111 119.0 . . ?
C103 C112 H11A 109.5 . . ?
C103 C112 H11B 109.5 . . ?
C103 C112 H11C 109.5 . . ?
H11A C112 H11B 109.5 . . ?
H11A C112 H11C 109.5 . . ?
H11B C112 H11C 109.5 . . ?
C104 C113 H11D 109.5 . . ?
C104 C113 H11E 109.5 . . ?
C104 C113 H11F 109.5 . . ?
H11D C113 H11E 109.5 . . ?
H11D C113 H11F 109.5 . . ?
H11E C113 H11F 109.5 . . ?
N101 C114 H114 116.2 . . ?
N101 C114 C115 127.7(11) . . ?
C115 C114 H114 116.2 . . ?
C116 C115 C114 123.5(12) . . ?
C116 C115 C120 120.1(12) . . ?
C120 C115 C114 116.3(12) . . ?
O102 C116 C115 125.6(11) 5_666 . ?
O102 C116 C117 116.0(11) 5_666 . ?
C115 C116 C117 118.3(12) . . ?
O103 C117 C116 113.8(12) 5_666 . ?
C118 C117 O103 125.5(13) . 5_666 ?
C118 C117 C116 120.7(13) . . ?
C117 C118 H118 119.9 . . ?
C117 C118 C119 120.3(15) . . ?
C119 C118 H118 119.9 . . ?
C118 C119 H119 120.2 . . ?
C120 C119 C118 119.7(15) . . ?
C120 C119 H119 120.2 . . ?
C115 C120 H120 119.6 . . ?
C119 C120 C115 120.7(14) . . ?
C119 C120 H120 119.6 . . ?
O103 C121 H12A 109.5 . . ?
O103 C121 H12B 109.5 . . ?
O103 C121 H12C 109.5 . . ?
H12A C121 H12B 109.5 . . ?
H12A C121 H12C 109.5 . . ?
H12B C121 H12C 109.5 . . ?
O201 C201 Dy3 74.9(8) . . ?
O201 C201 C202 121.0(15) . . ?
O202 C201 Dy3 45.5(7) . . ?
O202 C201 O201 120.1(14) . . ?
O202 C201 C202 118.9(14) . . ?
C202 C201 Dy3 163.0(11) . . ?
C201 C202 C205 107.1(14) . . ?
C203 C202 C201 109.3(13) . . ?
C203 C202 C204 108.7(17) . . ?
C203 C202 C205 110.2(16) . . ?
C204 C202 C201 111.2(16) . . ?
C204 C202 C205 110.3(15) . . ?
C202 C203 H20A 109.5 . . ?
C202 C203 H20B 109.5 . . ?
C202 C203 H20C 109.5 . . ?
H20A C203 H20B 109.5 . . ?
H20A C203 H20C 109.5 . . ?
H20B C203 H20C 109.5 . . ?
C202 C204 H20D 109.5 . . ?
C202 C204 H20E 109.5 . . ?
C202 C204 H20F 109.5 . . ?
H20D C204 H20E 109.5 . . ?
H20D C204 H20F 109.5 . . ?
H20E C204 H20F 109.5 . . ?
C202 C205 H20G 109.5 . . ?
C202 C205 H20H 109.5 . . ?
C202 C205 H20I 109.5 . . ?
H20G C205 H20H 109.5 . . ?
H20G C205 H20I 109.5 . . ?
H20H C205 H20I 109.5 . . ?
O221 C221 Dy3 57.2(7) . . ?
O221 C221 C222 121.6(13) . . ?
O222 C221 Dy3 61.5(7) . . ?
O222 C221 O221 118.6(13) . . ?
O222 C221 C222 119.8(12) . . ?
C222 C221 Dy3 176.7(11) . . ?
C221 C222 C223 106.0(15) . . ?
C224 C222 C221 111.9(14) . . ?
C224 C222 C223 108.6(17) . . ?
C224 C222 C225 106.1(17) . . ?
C225 C222 C221 112.6(14) . . ?
C225 C222 C223 111.7(18) . . ?
C222 C223 H22A 109.5 . . ?
C222 C223 H22B 109.5 . . ?
C222 C223 H22C 109.5 . . ?
H22A C223 H22B 109.5 . . ?
H22A C223 H22C 109.5 . . ?
H22B C223 H22C 109.5 . . ?
C222 C224 H22D 109.5 . . ?
C222 C224 H22E 109.5 . . ?
C222 C224 H22F 109.5 . . ?
H22D C224 H22E 109.5 . . ?
H22D C224 H22F 109.5 . . ?
H22E C224 H22F 109.5 . . ?
C222 C225 H22G 109.5 . . ?
C222 C225 H22H 109.5 . . ?
C222 C225 H22I 109.5 . . ?
H22G C225 H22H 109.5 . . ?
H22G C225 H22I 109.5 . . ?
H22H C225 H22I 109.5 . . ?
O241 C241 Dy3 60.9(7) . . ?
O241 C241 C242 118.5(12) . . ?
O242 C241 Dy3 59.2(8) . . ?
O242 C241 O241 120.0(13) . . ?
O242 C241 C242 121.5(13) . . ?
C242 C241 Dy3 177.7(11) . . ?
C241 C242 C243 109.8(14) . . ?
C241 C242 C244 111.4(14) . . ?
C241 C242 C245 108.1(13) . . ?
C243 C242 C244 110.7(15) . . ?
C243 C242 C245 107.8(15) . . ?
C244 C242 C245 108.9(16) . . ?
C242 C243 H24A 109.5 . . ?
C242 C243 H24B 109.5 . . ?
C242 C243 H24C 109.5 . . ?
H24A C243 H24B 109.5 . . ?
H24A C243 H24C 109.5 . . ?
H24B C243 H24C 109.5 . . ?
C242 C244 H24D 109.5 . . ?
C242 C244 H24E 109.5 . . ?
C242 C244 H24F 109.5 . . ?
H24D C244 H24E 109.5 . . ?
H24D C244 H24F 109.5 . . ?
H24E C244 H24F 109.5 . . ?
C242 C245 H24G 109.5 . . ?
C242 C245 H24H 109.5 . . ?
C242 C245 H24I 109.5 . . ?
H24G C245 H24H 109.5 . . ?
H24G C245 H24I 109.5 . . ?
H24H C245 H24I 109.5 . . ?
O261 C261 O262 125.9(14) . . ?
O261 C261 C262 118.1(13) . . ?
O262 C261 C262 116.0(13) . . ?
C263 C262 C261 111.0(15) . . ?
C264 C262 C261 105.1(15) . . ?
C264 C262 C263 109.4(17) . . ?
C265 C262 C261 113.0(15) . . ?
C265 C262 C263 112.5(18) . . ?
C265 C262 C264 105.4(19) . . ?
C262 C263 H26A 109.5 . . ?
C262 C263 H26B 109.5 . . ?
C262 C263 H26C 109.5 . . ?
H26A C263 H26B 109.5 . . ?
H26A C263 H26C 109.5 . . ?
H26B C263 H26C 109.5 . . ?
C262 C264 H26D 109.5 . . ?
C262 C264 H26E 109.5 . . ?
C262 C264 H26F 109.5 . . ?
H26D C264 H26E 109.5 . . ?
H26D C264 H26F 109.5 . . ?
H26E C264 H26F 109.5 . . ?
C262 C265 H26G 109.5 . . ?
C262 C265 H26H 109.5 . . ?
C262 C265 H26I 109.5 . . ?
H26G C265 H26H 109.5 . . ?
H26G C265 H26I 109.5 . . ?
H26H C265 H26I 109.5 . . ?
N401 C401 C402 175(5) . . ?
C401 C402 H40A 109.5 . . ?
C401 C402 H40B 109.5 . . ?
C401 C402 H40C 109.5 . . ?
H40A C402 H40B 109.5 . . ?
H40A C402 H40C 109.5 . . ?
H40B C402 H40C 109.5 . . ?
N441 C441 C442 167(4) . . ?
C441 C442 H44A 109.5 . . ?
C441 C442 H44B 109.5 . . ?
C441 C442 H44C 109.5 . . ?
H44A C442 H44B 109.5 . . ?
H44A C442 H44C 109.5 . . ?
H44B C442 H44C 109.5 . . ?
N421 C421 C422 170(4) . . ?
C421 C422 H42A 109.5 . . ?
C421 C422 H42B 109.5 . . ?
C421 C422 H42C 109.5 . . ?
H42A C422 H42B 109.5 . . ?
H42A C422 H42C 109.5 . . ?
H42B C422 H42C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy2 O201 C201 Dy3 -70.4(17) . . . . ?
Dy2 O201 C201 O202 -65(3) . . . . ?
Dy2 O201 C201 C202 116.0(19) . . . . ?
Dy2 O222 C221 Dy3 153(4) . . . . ?
Dy2 O222 C221 O221 156(3) . . . . ?
Dy2 O222 C221 C222 -24(5) . . . . ?
Dy2 O262 C261 O261 -20(3) . . . . ?
Dy2 O262 C261 C262 160.9(13) . . . . ?
Dy2 O301 N301 O302 -8.7(14) . . . . ?
Dy2 O301 N301 O303 169.0(14) . . . . ?
Dy2 O302 N301 O301 8.1(13) . . . . ?
Dy2 O302 N301 O303 -169.6(14) . . . . ?
Dy3 O101 C101 C102 -125.7(12) . . . . ?
Dy3 O101 C101 C105 57(2) . . . . ?
Dy3 O202 C201 O201 -7.8(19) . . . . ?
Dy3 O202 C201 C202 171.5(12) . . . . ?
Dy3 O221 C221 O222 -3.6(14) . . . . ?
Dy3 O221 C221 C222 176.3(13) . . . . ?
Dy3 O222 C221 O221 3.5(13) . . . . ?
Dy3 O222 C221 C222 -176.5(13) . . . . ?
Dy3 O241 C241 O242 2.3(13) . . . . ?
Dy3 O241 C241 C242 -177.5(12) . . . . ?
Dy3 O242 C241 O241 -2.4(14) . . . . ?
Dy3 O242 C241 C242 177.4(13) . . . . ?
Dy3 C201 C202 C203 -15(5) . . . . ?
Dy3 C201 C202 C204 -135(4) . . . . ?
Dy3 C201 C202 C205 104(4) . . . . ?
Co1 O241 C241 Dy3 170(3) 5_666 . . . ?
Co1 O241 C241 O242 173(2) 5_666 . . . ?
Co1 O241 C241 C242 -7(4) 5_666 . . . ?
Co1 O261 C261 O262 3(2) . . . . ?
Co1 O261 C261 C262 -177.9(12) . . . . ?
Co1 N101 C105 C101 -64.1(15) 5_666 . . . ?
Co1 N101 C105 C104 111.9(13) 5_666 . . . ?
Co1 N101 C114 C115 10.2(19) 5_666 . . . ?
O101 C101 C102 C103 -173.9(12) . . . . ?
O101 C101 C102 C106 -9(2) . . . . ?
O101 C101 C105 N101 -6(2) . . . . ?
O101 C101 C105 C104 177.5(13) . . . . ?
O102 C116 C117 O103 3.6(18) 5_666 . . 5_666 ?
O102 C116 C117 C118 -177.1(14) 5_666 . . . ?
O103 C117 C118 C119 -179.1(16) 5_666 . . . ?
O201 C201 C202 C203 143.3(17) . . . . ?
O201 C201 C202 C204 23(2) . . . . ?
O201 C201 C202 C205 -97.3(19) . . . . ?
O202 C201 C202 C203 -36(2) . . . . ?
O202 C201 C202 C204 -156.0(16) . . . . ?
O202 C201 C202 C205 83.3(18) . . . . ?
O221 C221 C222 C223 -96.6(19) . . . . ?
O221 C221 C222 C224 145.2(16) . . . . ?
O221 C221 C222 C225 26(2) . . . . ?
O222 C221 C222 C223 83.4(19) . . . . ?
O222 C221 C222 C224 -35(2) . . . . ?
O222 C221 C222 C225 -154.2(16) . . . . ?
O241 C241 C242 C243 -168.7(14) . . . . ?
O241 C241 C242 C244 -46(2) . . . . ?
O241 C241 C242 C245 73.9(17) . . . . ?
O242 C241 C242 C243 12(2) . . . . ?
O242 C241 C242 C244 134.6(16) . . . . ?
O242 C241 C242 C245 -105.9(16) . . . . ?
O261 C261 C262 C263 -140.3(17) . . . . ?
O261 C261 C262 C264 101.5(19) . . . . ?
O261 C261 C262 C265 -13(3) . . . . ?
O262 C261 C262 C263 38(2) . . . . ?
O262 C261 C262 C264 -80(2) . . . . ?
O262 C261 C262 C265 165.9(19) . . . . ?
N101 C114 C115 C116 -4(2) . . . . ?
N101 C114 C115 C120 172.5(14) . . . . ?
C101 C102 C103 C104 -6.3(16) . . . . ?
C101 C102 C103 C112 -154.4(12) . . . . ?
C101 C102 C106 C107 -121.9(15) . . . . ?
C101 C102 C106 C111 55(2) . . . . ?
C102 C101 C105 N101 176.5(12) . . . . ?
C102 C101 C105 C104 -0.1(15) . . . . ?
C102 C103 C104 C105 6.2(17) . . . . ?
C102 C103 C104 C113 -172.9(14) . . . . ?
C102 C106 C107 C108 -178.3(13) . . . . ?
C102 C106 C111 C110 -179.2(12) . . . . ?
C103 C102 C106 C107 41.2(19) . . . . ?
C103 C102 C106 C111 -141.5(13) . . . . ?
C103 C104 C105 N101 179.6(12) . . . . ?
C103 C104 C105 C101 -3.7(16) . . . . ?
C105 N101 C114 C115 179.0(12) . . . . ?
C105 C101 C102 C103 3.9(15) . . . . ?
C105 C101 C102 C106 169.0(13) . . . . ?
C106 C102 C103 C104 -172.2(13) . . . . ?
C106 C102 C103 C112 39.7(19) . . . . ?
C106 C107 C108 C109 -2(2) . . . . ?
C107 C106 C111 C110 -2(2) . . . . ?
C107 C108 C109 C110 -3(2) . . . . ?
C108 C109 C110 C111 5(2) . . . . ?
C109 C110 C111 C106 -3(2) . . . . ?
C111 C106 C107 C108 4(2) . . . . ?
C112 C103 C104 C105 151.9(14) . . . . ?
C112 C103 C104 C113 -27(2) . . . . ?
C113 C104 C105 N101 -1(3) . . . . ?
C113 C104 C105 C101 175.2(15) . . . . ?
C114 N101 C105 C101 126.3(14) . . . . ?
C114 N101 C105 C104 -57.7(18) . . . . ?
C114 C115 C116 O102 -8(2) . . . 5_666 ?
C114 C115 C116 C117 172.5(13) . . . . ?
C114 C115 C120 C119 -174.3(16) . . . . ?
C115 C116 C117 O103 -177.1(12) . . . 5_666 ?
C115 C116 C117 C118 2(2) . . . . ?
C116 C115 C120 C119 3(2) . . . . ?
C116 C117 C118 C119 2(3) . . . . ?
C117 C118 C119 C120 -3(3) . . . . ?
C118 C119 C120 C115 1(3) . . . . ?
C120 C115 C116 O102 174.8(13) . . . 5_666 ?
C120 C115 C116 C117 -4(2) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.149 0.519 0.729 77.2 5.1 ?
2 0.149 0.981 0.229 77.2 5.1 ?
3 0.351 0.019 0.729 77.2 5.2 ?
4 0.351 0.481 0.229 77.2 5.3 ?
5 0.649 0.519 0.771 77.2 4.8 ?
6 0.649 0.981 0.271 77.2 4.9 ?
7 0.851 0.019 0.771 77.2 5.1 ?
8 0.851 0.481 0.271 77.2 5.0 ?

_shelx_SHELXL_version_number     2014/7
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-1 0 0 0.0150 -0.9957 0.0021 -0.0011 0.0068 -0.0152 0.0184
1 0 0 0.0305 0.9957 -0.0021 0.0011 -0.0068 0.0152 -0.0184
0 1 1 0.0150 -0.0131 1.0012 0.9992 0.0283 0.0371 0.0207
0 -1 -1 0.0169 0.0131 -1.0012 -0.9992 -0.0283 -0.0371 -0.0207
-1 1 1 0.0154 -1.0088 1.0034 0.9981 0.0351 0.0219 0.0391
1 -1 -1 0.0258 1.0088 -1.0034 -0.9981 -0.0351 -0.0219 -0.0391
1 1 -1 0.0448 0.9975 0.9934 -1.0033 -0.0359 0.0415 0.0141
-1 -1 1 0.0374 -0.9975 -0.9934 1.0033 0.0359 -0.0415 -0.0141
-1 1 -1 0.0340 -0.9938 0.9977 -1.0055 -0.0222 0.0111 0.0510
0 -1 1 0.0445 -0.0019 -0.9956 1.0044 0.0291 -0.0263 -0.0326

_olex2_diffrn_ambient_temperature_device 'Oxford Cryosystems'
_olex2_submission_original_sample_id W10D43BB
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_w14d24bb
_database_code_depnum_ccdc_archive 'CCDC 1055922'
_audit_update_record             
;
2015-03-24 deposited with the CCDC.
2015-06-19 downloaded from the CCDC.
;
_audit_creation_date             2015-03-18
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_shelxl_version_number           2014-1
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C52 H72 Co2 Dy2 N8 O22, 2(N O3)'
_chemical_formula_sum            'C52 H72 Co2 Dy2 N10 O28'
_chemical_formula_weight         1728.05
_chemical_melting_point          ?
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'
Co Co 0.3494 0.9721 '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 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   24.6279(17)
_cell_length_b                   12.2953(5)
_cell_length_c                   26.851(2)
_cell_angle_alpha                90
_cell_angle_beta                 115.817(9)
_cell_angle_gamma                90
_cell_volume                     7319.1(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    ?
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      ?
_cell_measurement_theta_min      ?
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.545
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.624
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm
;
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.568
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3456
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0453
_diffrn_reflns_av_unetI/netI     0.0610
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.859
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            21059
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.859
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         29.113
_diffrn_reflns_theta_min         3.501
_diffrn_ambient_temperature      293.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.859
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6233
_reflns_number_total             8459
_reflns_special_details          
;
 Data were apparently pre-merged, so _diffrn_reflns_number
 etc. will have to be added later.
 
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         1.565
_refine_diff_density_min         -0.988
_refine_diff_density_rms         0.132
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     435
_refine_ls_number_reflns         8459
_refine_ls_number_restraints     21
_refine_ls_R_factor_all          0.0739
_refine_ls_R_factor_gt           0.0505
_refine_ls_restrained_S_all      1.044
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0626P)²+14.7874P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1226
_refine_ls_wR_factor_ref         0.1348
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, H1 of O1, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, H8 of O8, All O(H,H) groups
2. Restrained distances
 O8-H8
 0.85 with sigma of 0.01
 C25-H8
 1.893932 with sigma of 0.02
 Dy1-H8
 2.920322 with sigma of 0.02
3. Rigid body (RIGU) restrains
 O12, N5, O13, O14
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4.a Rotating group:
 O2(H2A,H2B)
4.b Ternary CH refined with riding coordinates:
 O1(H1)
4.c Secondary CH2 refined with riding coordinates:
 C25(H25A,H25B)
4.d Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C8(H8A), C15(H15), C16(H16), C17(H17), C18(H18),
 C19(H19)
4.e Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C12(H12A,H12B,H12C), C13(H13A,H13B,H13C), C22(H22A,H22B,
 H22C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C26(H26A,H26B,H26C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.41666(2) 0.18905(2) 0.19072(2) 0.03378(10) Uani 1 1 d D . . . .
Co1 Co 0.46938(3) 0.37330(6) 0.29483(3) 0.03363(17) Uani 1 1 d . . . . .
O1 O 0.48012(16) 0.2117(3) 0.28658(14) 0.0321(8) Uani 1 1 d . . . . .
H1 H 0.4672 0.1673 0.3098 0.039 Uiso 1 1 calc R . . . .
O2 O 0.4298(2) 0.1595(4) 0.10778(17) 0.0547(11) Uani 1 1 d . . . . .
H2A H 0.4197 0.2186 0.0860 0.082 Uiso 1 1 d GR . . . .
H2B H 0.4068 0.1045 0.0876 0.082 Uiso 1 1 d GR . . . .
O3 O 0.35185(18) 0.3313(3) 0.11465(17) 0.0463(10) Uani 1 1 d . . . . .
O4 O 0.43892(16) 0.3822(3) 0.20880(14) 0.0311(8) Uani 1 1 d . . . . .
O5 O 0.51482(18) 0.3854(3) 0.38296(16) 0.0435(9) Uani 1 1 d . . . . .
O6 O 0.34481(18) 0.2531(3) 0.21615(18) 0.0479(10) Uani 1 1 d . . . . .
O7 O 0.38404(18) 0.3630(4) 0.28892(18) 0.0502(11) Uani 1 1 d . . . . .
O8 O 0.33199(19) 0.0884(4) 0.12448(17) 0.0509(10) Uani 1 1 d D . . . .
H8 H 0.3308(17) 0.078(6) 0.0927(11) 0.076 Uiso 1 1 d DR . . . .
O10 O 0.3960(2) 0.0382(4) 0.24059(19) 0.0567(11) Uani 1 1 d . . . . .
O9 O 0.4486(2) -0.0006(4) 0.1966(2) 0.0576(12) Uani 1 1 d . . . . .
O11 O 0.4225(3) -0.1293(4) 0.2371(3) 0.0895(19) Uani 1 1 d . . . . .
N1 N 0.4712(2) 0.5394(4) 0.30079(18) 0.0363(10) Uani 1 1 d . . . . .
N2 N 0.5625(3) 0.6412(5) 0.4386(2) 0.0615(16) Uani 1 1 d . . . . .
N3 N 0.5625(2) 0.5261(4) 0.44376(19) 0.0486(13) Uani 1 1 d . . . . .
N4 N 0.4227(3) -0.0345(4) 0.2254(2) 0.0533(14) Uani 1 1 d . . . . .
C1 C 0.3047(3) 0.3044(6) 0.0610(3) 0.066(2) Uani 1 1 d . . . . .
H1A H 0.3144 0.2374 0.0484 0.099 Uiso 1 1 calc GR . . . .
H1B H 0.3010 0.3614 0.0353 0.099 Uiso 1 1 calc GR . . . .
H1C H 0.2672 0.2965 0.0636 0.099 Uiso 1 1 calc GR . . . .
C2 C 0.3512(2) 0.4374(5) 0.1316(2) 0.0412(13) Uani 1 1 d . . . . .
C3 C 0.3079(3) 0.5108(6) 0.1017(3) 0.0585(18) Uani 1 1 d . . . . .
H3 H 0.2768 0.4916 0.0678 0.070 Uiso 1 1 calc R . . . .
C4 C 0.3109(3) 0.6151(6) 0.1230(3) 0.066(2) Uani 1 1 d . . . . .
H4 H 0.2823 0.6668 0.1025 0.080 Uiso 1 1 calc R . . . .
C5 C 0.3550(3) 0.6420(5) 0.1731(3) 0.0566(17) Uani 1 1 d . . . . .
H5 H 0.3565 0.7123 0.1864 0.068 Uiso 1 1 calc R . . . .
C6 C 0.3986(3) 0.5657(5) 0.2055(2) 0.0412(13) Uani 1 1 d . . . . .
C7 C 0.3982(2) 0.4631(4) 0.1844(2) 0.0344(11) Uani 1 1 d . . . . .
C8 C 0.4397(2) 0.6030(4) 0.2613(2) 0.0400(13) Uani 1 1 d . . . . .
H8A H 0.4429 0.6775 0.2682 0.048 Uiso 1 1 calc R . . . .
C9 C 0.5078(3) 0.5709(5) 0.3553(2) 0.0406(13) Uani 1 1 d . . . . .
C10 C 0.5309(3) 0.6644(5) 0.3838(3) 0.0533(16) Uani 1 1 d . . . . .
C11 C 0.5279(2) 0.4830(5) 0.3940(2) 0.0385(12) Uani 1 1 d . . . . .
C12 C 0.5262(4) 0.7794(6) 0.3646(3) 0.082(3) Uani 1 1 d . . . . .
H12A H 0.4874 0.8081 0.3581 0.123 Uiso 1 1 calc GR . . . .
H12B H 0.5309 0.7819 0.3310 0.123 Uiso 1 1 calc GR . . . .
H12C H 0.5573 0.8221 0.3925 0.123 Uiso 1 1 calc GR . . . .
C13 C 0.6193(4) 0.6968(7) 0.4724(3) 0.083(3) Uani 1 1 d . . . . .
H13A H 0.6342 0.6729 0.5101 0.124 Uiso 1 1 calc GR . . . .
H13B H 0.6127 0.7739 0.4706 0.124 Uiso 1 1 calc GR . . . .
H13C H 0.6484 0.6800 0.4587 0.124 Uiso 1 1 calc GR . . . .
C14 C 0.5787(3) 0.4768(5) 0.4968(2) 0.0466(14) Uani 1 1 d . . . . .
C15 C 0.5755(3) 0.5339(6) 0.5393(3) 0.0555(17) Uani 1 1 d . . . . .
H15 H 0.5619 0.6055 0.5341 0.067 Uiso 1 1 calc R . . . .
C16 C 0.5927(3) 0.4835(8) 0.5901(3) 0.066(2) Uani 1 1 d . . . . .
H16 H 0.5926 0.5231 0.6195 0.079 Uiso 1 1 calc R . . . .
C17 C 0.6094(4) 0.3800(8) 0.5977(3) 0.074(2) Uani 1 1 d . . . . .
H17 H 0.6196 0.3466 0.6316 0.088 Uiso 1 1 calc R . . . .
C18 C 0.6115(4) 0.3221(7) 0.5539(3) 0.072(2) Uani 1 1 d . . . . .
H18 H 0.6234 0.2496 0.5589 0.086 Uiso 1 1 calc R . . . .
C19 C 0.5960(3) 0.3709(6) 0.5038(3) 0.0548(16) Uani 1 1 d . . . . .
H19 H 0.5973 0.3318 0.4746 0.066 Uiso 1 1 calc R . . . .
C20 C 0.3404(3) 0.3178(5) 0.2498(3) 0.0450(14) Uani 1 1 d . . . . .
C21 C 0.2767(3) 0.3438(6) 0.2438(4) 0.067(2) Uani 1 1 d . . . . .
C22 C 0.2668(7) 0.2803(12) 0.2850(10) 0.213(11) Uani 1 1 d . . . . .
H22A H 0.3015 0.2861 0.3201 0.319 Uiso 1 1 calc GR . . . .
H22B H 0.2605 0.2054 0.2737 0.319 Uiso 1 1 calc GR . . . .
H22C H 0.2320 0.3075 0.2883 0.319 Uiso 1 1 calc GR . . . .
C23 C 0.2724(4) 0.4625(7) 0.2548(4) 0.094(3) Uani 1 1 d . . . . .
H23A H 0.3043 0.4815 0.2901 0.142 Uiso 1 1 calc GR . . . .
H23B H 0.2342 0.4769 0.2551 0.142 Uiso 1 1 calc GR . . . .
H23C H 0.2759 0.5049 0.2264 0.142 Uiso 1 1 calc GR . . . .
C24 C 0.2309(4) 0.3113(16) 0.1897(7) 0.227(12) Uani 1 1 d . . . . .
H24A H 0.2275 0.3659 0.1629 0.340 Uiso 1 1 calc GR . . . .
H24B H 0.1929 0.3031 0.1911 0.340 Uiso 1 1 calc GR . . . .
H24C H 0.2423 0.2433 0.1793 0.340 Uiso 1 1 calc GR . . . .
C25 C 0.2755(4) 0.0543(8) 0.1227(4) 0.087(3) Uani 1 1 d D . . . .
H25A H 0.2776 0.0601 0.1595 0.104 Uiso 1 1 calc R . . . .
H25B H 0.2440 0.1031 0.0987 0.104 Uiso 1 1 calc R . . . .
C26 C 0.2595(5) -0.0542(10) 0.1034(6) 0.141(5) Uani 1 1 d . . . . .
H26A H 0.2577 -0.0609 0.0671 0.211 Uiso 1 1 calc GR . . . .
H26B H 0.2209 -0.0714 0.1020 0.211 Uiso 1 1 calc GR . . . .
H26C H 0.2893 -0.1034 0.1282 0.211 Uiso 1 1 calc GR . . . .
N5 N 0.3457(4) -0.0137(7) 0.0102(4) 0.115(4) Uani 1 1 d . U . . .
O13 O 0.3312(4) -0.0730(8) -0.0311(4) 0.161(4) Uani 1 1 d . U . . .
O12 O 0.3266(7) 0.0634(10) 0.0131(4) 0.286(10) Uani 1 1 d . U . . .
O14 O 0.3866(7) -0.0277(10) 0.0499(5) 0.312(11) Uani 1 1 d . U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Co1 3.3869(8) . ?
Dy1 Co1 3.4943(8) 2_655 ?
Dy1 O1 2.375(3) . ?
Dy1 O1 2.358(3) 2_655 ?
Dy1 O2 2.413(4) . ?
Dy1 O3 2.634(4) . ?
Dy1 O4 2.439(3) . ?
Dy1 O6 2.296(4) . ?
Dy1 O8 2.411(4) . ?
Dy1 O10 2.467(4) . ?
Dy1 O9 2.443(4) . ?
Dy1 N4 2.885(5) . ?
Co1 Dy1 3.4945(8) 2_655 ?
Co1 O1 2.029(3) . ?
Co1 O4 2.098(3) . ?
Co1 O4 2.305(4) 2_655 ?
Co1 O5 2.137(4) . ?
Co1 O7 2.042(4) . ?
Co1 N1 2.048(4) . ?
O1 Dy1 2.358(3) 2_655 ?
O1 H1 0.9800 . ?
O2 H2A 0.8960 . ?
O2 H2B 0.8974 . ?
O3 C1 1.440(7) . ?
O3 C2 1.383(7) . ?
O4 Co1 2.305(4) 2_655 ?
O4 C7 1.361(6) . ?
O5 C11 1.245(6) . ?
O6 C20 1.243(7) . ?
O7 C20 1.259(7) . ?
O8 H8 0.851(9) . ?
O8 C25 1.435(8) . ?
O10 N4 1.276(7) . ?
O9 N4 1.269(7) . ?
O11 N4 1.208(7) . ?
N1 C8 1.274(7) . ?
N1 C9 1.398(7) . ?
N2 N3 1.422(7) . ?
N2 C10 1.362(8) . ?
N2 C13 1.464(9) . ?
N3 C11 1.342(7) . ?
N3 C14 1.436(7) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.361(8) . ?
C2 C7 1.421(8) . ?
C3 H3 0.9300 . ?
C3 C4 1.392(9) . ?
C4 H4 0.9300 . ?
C4 C5 1.352(9) . ?
C5 H5 0.9300 . ?
C5 C6 1.406(8) . ?
C6 C7 1.381(8) . ?
C6 C8 1.470(8) . ?
C8 H8A 0.9300 . ?
C9 C10 1.362(8) . ?
C9 C11 1.430(8) . ?
C10 C12 1.491(9) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 C15 1.370(8) . ?
C14 C19 1.358(9) . ?
C15 H15 0.9300 . ?
C15 C16 1.386(10) . ?
C16 H16 0.9300 . ?
C16 C17 1.325(11) . ?
C17 H17 0.9300 . ?
C17 C18 1.392(11) . ?
C18 H18 0.9300 . ?
C18 C19 1.369(10) . ?
C19 H19 0.9300 . ?
C20 C21 1.541(9) . ?
C21 C22 1.457(16) . ?
C21 C23 1.501(11) . ?
C21 C24 1.455(14) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C25 C26 1.423(13) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
N5 O13 1.241(10) . ?
N5 O12 1.078(10) . ?
N5 O14 1.115(10) . ?
O12 O14 1.774(13) . ?

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
Co1 Dy1 Co1 58.27(2) . 2_655 ?
O1 Dy1 Co1 74.05(9) 2_655 . ?
O1 Dy1 Co1 34.06(8) 2_655 2_655 ?
O1 Dy1 Co1 36.13(8) . . ?
O1 Dy1 Co1 71.71(9) . 2_655 ?
O1 Dy1 O1 65.14(14) 2_655 . ?
O1 Dy1 O2 72.16(13) 2_655 . ?
O1 Dy1 O2 136.75(14) . . ?
O1 Dy1 O3 110.06(13) 2_655 . ?
O1 Dy1 O3 130.77(11) . . ?
O1 Dy1 O4 73.14(12) 2_655 . ?
O1 Dy1 O4 71.66(11) . . ?
O1 Dy1 O8 137.73(13) 2_655 . ?
O1 Dy1 O8 144.01(13) . . ?
O1 Dy1 O10 113.74(14) 2_655 . ?
O1 Dy1 O10 72.18(13) . . ?
O1 Dy1 O9 79.37(14) 2_655 . ?
O1 Dy1 O9 90.03(13) . . ?
O1 Dy1 N4 81.07(13) . . ?
O1 Dy1 N4 97.53(15) 2_655 . ?
O2 Dy1 Co1 77.06(11) . 2_655 ?
O2 Dy1 Co1 134.83(11) . . ?
O2 Dy1 O3 70.35(15) . . ?
O2 Dy1 O4 102.79(14) . . ?
O2 Dy1 O10 122.01(16) . . ?
O2 Dy1 O9 75.36(17) . . ?
O2 Dy1 N4 98.40(17) . . ?
O3 Dy1 Co1 80.90(9) . 2_655 ?
O3 Dy1 Co1 94.64(9) . . ?
O3 Dy1 N4 144.24(13) . . ?
O4 Dy1 Co1 38.00(8) . . ?
O4 Dy1 Co1 41.10(8) . 2_655 ?
O4 Dy1 O3 61.01(11) . . ?
O4 Dy1 O10 134.90(13) . . ?
O4 Dy1 O9 151.45(14) . . ?
O4 Dy1 N4 152.65(13) . . ?
O6 Dy1 Co1 115.49(10) . 2_655 ?
O6 Dy1 Co1 65.98(10) . . ?
O6 Dy1 O1 82.30(13) . . ?
O6 Dy1 O1 140.02(13) . 2_655 ?
O6 Dy1 O2 139.16(15) . . ?
O6 Dy1 O3 73.59(15) . . ?
O6 Dy1 O4 75.05(13) . . ?
O6 Dy1 O8 82.21(14) . . ?
O6 Dy1 O10 74.25(16) . . ?
O6 Dy1 O9 125.20(16) . . ?
O6 Dy1 N4 99.72(17) . . ?
O8 Dy1 Co1 144.05(10) . 2_655 ?
O8 Dy1 Co1 148.18(10) . . ?
O8 Dy1 O2 70.28(15) . . ?
O8 Dy1 O3 74.42(14) . . ?
O8 Dy1 O4 133.95(14) . . ?
O8 Dy1 O10 72.41(15) . . ?
O8 Dy1 O9 73.05(16) . . ?
O8 Dy1 N4 69.85(15) . . ?
O10 Dy1 Co1 98.65(11) . . ?
O10 Dy1 Co1 140.61(11) . 2_655 ?
O10 Dy1 O3 136.17(15) . . ?
O10 Dy1 N4 26.14(16) . . ?
O9 Dy1 Co1 126.02(11) . . ?
O9 Dy1 Co1 113.02(12) . 2_655 ?
O9 Dy1 O3 138.83(14) . . ?
O9 Dy1 O10 52.00(16) . . ?
O9 Dy1 N4 25.89(17) . . ?
N4 Dy1 Co1 115.05(11) . . ?
N4 Dy1 Co1 130.99(12) . 2_655 ?
Dy1 Co1 Dy1 70.044(17) . 2_655 ?
O1 Co1 Dy1 40.61(10) . 2_655 ?
O1 Co1 Dy1 43.64(10) . . ?
O1 Co1 O4 86.12(14) . . ?
O1 Co1 O4 82.27(13) . 2_655 ?
O1 Co1 O5 99.12(15) . . ?
O1 Co1 O7 96.28(17) . . ?
O1 Co1 N1 170.29(16) . . ?
O4 Co1 Dy1 44.06(8) 2_655 2_655 ?
O4 Co1 Dy1 92.35(9) . 2_655 ?
O4 Co1 Dy1 91.57(9) 2_655 . ?
O4 Co1 Dy1 45.70(9) . . ?
O4 Co1 O4 80.68(14) . 2_655 ?
O4 Co1 O5 168.29(15) . . ?
O5 Co1 Dy1 142.00(11) . . ?
O5 Co1 Dy1 85.07(11) . 2_655 ?
O5 Co1 O4 89.61(14) . 2_655 ?
O7 Co1 Dy1 135.91(14) . 2_655 ?
O7 Co1 Dy1 83.26(12) . . ?
O7 Co1 O4 173.74(15) . 2_655 ?
O7 Co1 O4 93.17(15) . . ?
O7 Co1 O5 96.63(17) . . ?
O7 Co1 N1 93.15(18) . . ?
N1 Co1 Dy1 135.98(13) . . ?
N1 Co1 Dy1 130.44(13) . 2_655 ?
N1 Co1 O4 91.08(15) . . ?
N1 Co1 O4 88.11(15) . 2_655 ?
N1 Co1 O5 82.02(16) . . ?
Dy1 O1 Dy1 113.13(14) 2_655 . ?
Dy1 O1 H1 112.4 2_655 . ?
Dy1 O1 H1 112.4 . . ?
Co1 O1 Dy1 100.23(14) . . ?
Co1 O1 Dy1 105.33(15) . 2_655 ?
Co1 O1 H1 112.4 . . ?
Dy1 O2 H2A 111.6 . . ?
Dy1 O2 H2B 111.6 . . ?
H2A O2 H2B 107.2 . . ?
C1 O3 Dy1 125.1(4) . . ?
C2 O3 Dy1 117.4(3) . . ?
C2 O3 C1 115.2(5) . . ?
Co1 O4 Dy1 96.30(13) . . ?
Co1 O4 Dy1 94.84(12) 2_655 . ?
Co1 O4 Co1 99.03(14) . 2_655 ?
C7 O4 Dy1 124.2(3) . . ?
C7 O4 Co1 123.0(3) . 2_655 ?
C7 O4 Co1 113.8(3) . . ?
C11 O5 Co1 106.7(4) . . ?
C20 O6 Dy1 139.3(4) . . ?
C20 O7 Co1 124.6(4) . . ?
Dy1 O8 H8 117.3(15) . . ?
C25 O8 Dy1 133.6(4) . . ?
C25 O8 H8 108.2(15) . . ?
N4 O10 Dy1 95.5(3) . . ?
N4 O9 Dy1 96.9(4) . . ?
C8 N1 Co1 124.3(4) . . ?
C8 N1 C9 125.7(5) . . ?
C9 N1 Co1 109.9(4) . . ?
N3 N2 C13 116.4(6) . . ?
C10 N2 N3 106.8(5) . . ?
C10 N2 C13 121.0(6) . . ?
N2 N3 C14 120.3(5) . . ?
C11 N3 N2 108.9(5) . . ?
C11 N3 C14 127.0(5) . . ?
O10 N4 Dy1 58.4(3) . . ?
O9 N4 Dy1 57.2(3) . . ?
O9 N4 O10 115.5(5) . . ?
O11 N4 Dy1 176.3(5) . . ?
O11 N4 O10 122.1(7) . . ?
O11 N4 O9 122.4(7) . . ?
O3 C1 H1A 109.5 . . ?
O3 C1 H1B 109.5 . . ?
O3 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O3 C2 C7 114.7(5) . . ?
C3 C2 O3 123.4(5) . . ?
C3 C2 C7 121.9(5) . . ?
C2 C3 H3 120.6 . . ?
C2 C3 C4 118.8(6) . . ?
C4 C3 H3 120.6 . . ?
C3 C4 H4 119.7 . . ?
C5 C4 C3 120.6(6) . . ?
C5 C4 H4 119.7 . . ?
C4 C5 H5 119.4 . . ?
C4 C5 C6 121.3(6) . . ?
C6 C5 H5 119.4 . . ?
C5 C6 C8 115.1(5) . . ?
C7 C6 C5 119.2(5) . . ?
C7 C6 C8 125.6(5) . . ?
O4 C7 C2 115.2(5) . . ?
O4 C7 C6 126.7(5) . . ?
C6 C7 C2 118.0(5) . . ?
N1 C8 C6 123.8(5) . . ?
N1 C8 H8A 118.1 . . ?
C6 C8 H8A 118.1 . . ?
N1 C9 C11 114.4(5) . . ?
C10 C9 N1 138.0(6) . . ?
C10 C9 C11 107.6(5) . . ?
N2 C10 C9 109.4(6) . . ?
N2 C10 C12 119.6(6) . . ?
C9 C10 C12 131.0(6) . . ?
O5 C11 N3 127.3(5) . . ?
O5 C11 C9 125.7(5) . . ?
N3 C11 C9 107.1(5) . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N2 C13 H13A 109.5 . . ?
N2 C13 H13B 109.5 . . ?
N2 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C15 C14 N3 121.2(6) . . ?
C19 C14 N3 118.4(6) . . ?
C19 C14 C15 120.4(6) . . ?
C14 C15 H15 120.5 . . ?
C14 C15 C16 119.1(7) . . ?
C16 C15 H15 120.5 . . ?
C15 C16 H16 119.3 . . ?
C17 C16 C15 121.5(7) . . ?
C17 C16 H16 119.3 . . ?
C16 C17 H17 120.5 . . ?
C16 C17 C18 119.0(8) . . ?
C18 C17 H17 120.5 . . ?
C17 C18 H18 119.7 . . ?
C19 C18 C17 120.6(8) . . ?
C19 C18 H18 119.7 . . ?
C14 C19 C18 119.4(7) . . ?
C14 C19 H19 120.3 . . ?
C18 C19 H19 120.3 . . ?
O6 C20 O7 125.2(6) . . ?
O6 C20 C21 117.7(6) . . ?
O7 C20 C21 117.1(5) . . ?
C22 C21 C20 107.9(8) . . ?
C22 C21 C23 108.8(9) . . ?
C23 C21 C20 109.7(6) . . ?
C24 C21 C20 110.9(7) . . ?
C24 C21 C22 107.4(12) . . ?
C24 C21 C23 112.0(11) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O8 C25 H25A 108.9 . . ?
O8 C25 H25B 108.9 . . ?
H25A C25 H25B 107.7 . . ?
C26 C25 O8 113.3(8) . . ?
C26 C25 H25A 108.9 . . ?
C26 C25 H25B 108.9 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
O12 N5 O13 128.0(10) . . ?
O12 N5 O14 108.0(10) . . ?
O14 N5 O13 123.5(10) . . ?
N5 O12 O14 36.7(6) . . ?
N5 O14 O12 35.3(6) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O3 C2 C3 -160.5(5) . . . . ?
Dy1 O3 C2 C7 16.7(6) . . . . ?
Dy1 O4 C7 C2 -26.5(6) . . . . ?
Dy1 O4 C7 C6 154.0(5) . . . . ?
Dy1 O6 C20 O7 -9.7(11) . . . . ?
Dy1 O6 C20 C21 171.1(5) . . . . ?
Dy1 O8 C25 C26 -137.4(9) . . . . ?
Dy1 O10 N4 O9 3.3(5) . . . . ?
Dy1 O10 N4 O11 -175.7(6) . . . . ?
Dy1 O9 N4 O10 -3.4(5) . . . . ?
Dy1 O9 N4 O11 175.6(6) . . . . ?
Co1 O4 C7 C2 97.7(5) 2_655 . . . ?
Co1 O4 C7 C2 -142.8(4) . . . . ?
Co1 O4 C7 C6 37.6(7) . . . . ?
Co1 O4 C7 C6 -81.8(6) 2_655 . . . ?
Co1 O5 C11 N3 -171.8(5) . . . . ?
Co1 O5 C11 C9 8.7(7) . . . . ?
Co1 O7 C20 O6 16.8(9) . . . . ?
Co1 O7 C20 C21 -164.0(5) . . . . ?
Co1 N1 C8 C6 -1.4(8) . . . . ?
Co1 N1 C9 C10 172.5(7) . . . . ?
Co1 N1 C9 C11 -7.9(6) . . . . ?
O3 C2 C3 C4 178.9(7) . . . . ?
O3 C2 C7 O4 4.0(7) . . . . ?
O3 C2 C7 C6 -176.4(5) . . . . ?
O6 C20 C21 C22 101.0(11) . . . . ?
O6 C20 C21 C23 -140.5(7) . . . . ?
O6 C20 C21 C24 -16.3(14) . . . . ?
O7 C20 C21 C22 -78.2(11) . . . . ?
O7 C20 C21 C23 40.2(10) . . . . ?
O7 C20 C21 C24 164.4(11) . . . . ?
N1 C9 C10 N2 177.4(7) . . . . ?
N1 C9 C10 C12 -2.2(15) . . . . ?
N1 C9 C11 O5 -0.9(8) . . . . ?
N1 C9 C11 N3 179.5(5) . . . . ?
N2 N3 C11 O5 -176.2(6) . . . . ?
N2 N3 C11 C9 3.4(7) . . . . ?
N2 N3 C14 C15 21.3(9) . . . . ?
N2 N3 C14 C19 -160.3(6) . . . . ?
N3 N2 C10 C9 4.2(8) . . . . ?
N3 N2 C10 C12 -176.1(7) . . . . ?
N3 C14 C15 C16 -178.7(6) . . . . ?
N3 C14 C19 C18 -179.8(6) . . . . ?
C1 O3 C2 C3 3.2(9) . . . . ?
C1 O3 C2 C7 -179.6(6) . . . . ?
C2 C3 C4 C5 -2.0(13) . . . . ?
C3 C2 C7 O4 -178.8(6) . . . . ?
C3 C2 C7 C6 0.8(9) . . . . ?
C3 C4 C5 C6 -0.7(13) . . . . ?
C4 C5 C6 C7 3.5(11) . . . . ?
C4 C5 C6 C8 -173.8(7) . . . . ?
C5 C6 C7 O4 176.0(6) . . . . ?
C5 C6 C7 C2 -3.5(9) . . . . ?
C5 C6 C8 N1 161.4(6) . . . . ?
C7 C2 C3 C4 2.0(11) . . . . ?
C7 C6 C8 N1 -15.7(10) . . . . ?
C8 N1 C9 C10 -12.6(11) . . . . ?
C8 N1 C9 C11 167.0(5) . . . . ?
C8 C6 C7 O4 -6.9(10) . . . . ?
C8 C6 C7 C2 173.6(5) . . . . ?
C9 N1 C8 C6 -175.6(5) . . . . ?
C10 N2 N3 C11 -4.7(8) . . . . ?
C10 N2 N3 C14 -164.3(6) . . . . ?
C10 C9 C11 O5 178.8(6) . . . . ?
C10 C9 C11 N3 -0.8(7) . . . . ?
C11 N3 C14 C15 -134.2(7) . . . . ?
C11 N3 C14 C19 44.2(9) . . . . ?
C11 C9 C10 N2 -2.2(8) . . . . ?
C11 C9 C10 C12 178.2(8) . . . . ?
C13 N2 N3 C11 -143.3(6) . . . . ?
C13 N2 N3 C14 57.1(9) . . . . ?
C13 N2 C10 C9 140.5(7) . . . . ?
C13 N2 C10 C12 -39.8(11) . . . . ?
C14 N3 C11 O5 -18.5(10) . . . . ?
C14 N3 C11 C9 161.1(6) . . . . ?
C14 C15 C16 C17 -3.3(11) . . . . ?
C15 C14 C19 C18 -1.4(10) . . . . ?
C15 C16 C17 C18 2.1(12) . . . . ?
C16 C17 C18 C19 -0.6(13) . . . . ?
C17 C18 C19 C14 0.2(12) . . . . ?
C19 C14 C15 C16 2.9(10) . . . . ?
O13 N5 O12 O14 -172(3) . . . . ?
O13 N5 O14 O12 172(3) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.500 0.500 296.4 2.1 ?
2 0.000 0.500 0.000 296.4 2.1 ?
3 0.250 0.250 0.500 22.1 0.4 ?
4 0.250 0.750 1.000 22.1 0.4 ?
5 0.500 0.000 0.500 296.4 2.1 ?
6 0.500 1.000 1.000 296.4 2.1 ?
7 0.750 0.250 1.000 22.1 0.4 ?
8 0.750 0.750 0.500 22.1 0.4 ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_2015ncs0100
_database_code_depnum_ccdc_archive 'CCDC 1055923'
_audit_update_record             
;
2015-03-24 deposited with the CCDC.
2015-06-19 downloaded from the CCDC.
;
_audit_creation_date             2015-03-24
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_shelxl_version_number           2014-1
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         '2(C26 H36 Co Dy N4 O11), C2 H6 O, 2(N O3)'
_chemical_formula_sum            'C54 H78 Co2 Dy2 N10 O29'
_chemical_formula_weight         1774.12
_chemical_melting_point          ?
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'
Co Co 0.3494 0.9721 '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 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_H-M_alt        'P 1 2/n 1'
_space_group_name_Hall           '-P 2yac'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z-1/2'

_cell_length_a                   24.026(3)
_cell_length_b                   12.2884(14)
_cell_length_c                   26.741(3)
_cell_angle_alpha                90
_cell_angle_beta                 116.1429(18)
_cell_angle_gamma                90
_cell_volume                     7087.5(15)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    ?
_cell_measurement_temperature    100
_cell_measurement_theta_max      ?
_cell_measurement_theta_min      ?
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.632
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.731
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm
;
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.663
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3560
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0849
_diffrn_reflns_av_unetI/netI     0.0447
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            85427
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.604
_diffrn_reflns_theta_min         1.862
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                14562
_reflns_number_total             16099
_reflns_special_details          
;
 Data were apparently pre-merged, so _diffrn_reflns_number
 etc. will have to be added later.
 
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         3.378
_refine_diff_density_min         -2.919
_refine_diff_density_rms         0.182
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     869
_refine_ls_number_reflns         16099
_refine_ls_number_restraints     8
_refine_ls_R_factor_all          0.0625
_refine_ls_R_factor_gt           0.0578
_refine_ls_restrained_S_all      1.019
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0910P)²+34.6400P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1556
_refine_ls_wR_factor_ref         0.1608
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, H11 of O11, H46 of O46, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, H22 of O22, H1A of O1, H29 of O29, All O(H,H) groups
2. Restrained distances
 O29-H29
 0.85 with sigma of 0.01
 O22-H22
 0.85 with sigma of 0.01
 C9-C7
 1.53 with sigma of 0.02
 C7-O1
 1.49 with sigma of 0.02
 C44-H29
 1.901869 with sigma of 0.02
 Dy6-H29
 2.876825 with sigma of 0.02
 C208-H22
 1.896733 with sigma of 0.02
 Dy2-H22
 2.934157 with sigma of 0.02
3.a Rotating group:
 O8(H8A,H8B), O58(H58A,H58B)
3.b Ternary CH refined with riding coordinates:
 O46(H46), O11(H11)
3.c Secondary CH2 refined with riding coordinates:
 C44(H44A,H44B), C208(H20A,H20B), C7(H7A,H7B)
3.d Me refined with riding coordinates:
 C4AA(H4AA,H4AB,H4AC), C17(H17A,H17B,H17C), C47(H47A,H47B,H47C), C135(H13D,
 H13E,H13F), C172(H17D,H17E,H17F), C185(H18A,H18B,H18C), C28(H28A,H28B,H28C),
 C41(H41A,H41B,H41C), C78(H78A,H78B,H78C), C91(H91A,H91B,H91C), C108(H10A,H10B,
 H10C), C149(H14A,H14B,H14C), C154(H15A,H15B,H15C), C9(H9A,H9B,H9C)
3.e Aromatic/amide H refined with riding coordinates:
 C29(H29A), C32(H32), C40(H40), C55(H55), C59(H59), C63(H63), C155(H155),
 C183(H183), C204(H204), C0AA(H0AA), C1(H1), C1AA(H1AA), C3AA(H3AA), C20(H20),
 C89(H89), C97(H97), C124(H124), C159(H159)
3.f Idealised Me refined as rotating group:
 C133(H13A,H13B,H13C)
3.g Idealised tetrahedral OH refined as rotating group:
 O1(H1A)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
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
Dy6 Dy 0.33737(2) 0.92205(2) 0.30696(2) 0.02449(8) Uani 1 1 d D . . . .
Co5 Co 0.27503(3) 1.10721(6) 0.20190(3) 0.02465(15) Uani 1 1 d . . . . .
O4 O 0.40809(18) 1.0626(3) 0.38020(17) 0.0348(10) Uani 1 1 d . . . . .
O8 O 0.32734(19) 0.8985(3) 0.39128(17) 0.0349(9) Uani 1 1 d . . . . .
H8A H 0.2954 0.9326 0.3890 0.052 Uiso 1 1 d GR . . . .
H8B H 0.3595 0.9235 0.4186 0.052 Uiso 1 1 d GR . . . .
O28 O 0.35930(19) 1.0950(3) 0.20163(18) 0.0351(9) Uani 1 1 d . . . . .
O29 O 0.42350(18) 0.8193(3) 0.37294(17) 0.0337(9) Uani 1 1 d D . . . .
H29 H 0.4157(15) 0.783(4) 0.396(2) 0.050 Uiso 1 1 d DR . . . .
O30 O 0.22560(18) 1.1190(3) 0.11375(15) 0.0295(8) Uani 1 1 d . . . . .
O37 O 0.35522(18) 0.7714(3) 0.25485(17) 0.0345(9) Uani 1 1 d . . . . .
O42 O 0.30403(18) 0.7318(3) 0.30201(17) 0.0341(9) Uani 1 1 d . . . . .
O46 O 0.23304(16) 0.9457(3) 0.28862(15) 0.0244(7) Uani 1 1 d . . . . .
H46 H 0.2214 0.9013 0.3139 0.029 Uiso 1 1 calc R . . . .
O48 O 0.3273(2) 0.6041(3) 0.2579(2) 0.0430(11) Uani 1 1 d . . . . .
O54 O 0.40630(17) 0.9873(3) 0.27591(17) 0.0310(8) Uani 1 1 d . . . . .
O63 O 0.31303(16) 1.1165(3) 0.28852(14) 0.0239(7) Uani 1 1 d . . . . .
N27 N 0.1681(3) 1.3727(4) 0.0590(2) 0.0405(12) Uani 1 1 d . . . . .
N73 N 0.3283(2) 0.6993(4) 0.2710(2) 0.0312(10) Uani 1 1 d . . . . .
N81 N 0.1697(2) 1.2594(4) 0.05296(19) 0.0362(11) Uani 1 1 d . . . . .
N129 N 0.2724(2) 1.2740(4) 0.19581(18) 0.0268(9) Uani 1 1 d . . . . .
C4AA C 0.2068(4) 1.5107(5) 0.1350(3) 0.0471(17) Uani 1 1 d . . . . .
H4AA H 0.2433 1.5473 0.1355 0.071 Uiso 1 1 calc R . . . .
H4AB H 0.2101 1.5088 0.1729 0.071 Uiso 1 1 calc R . . . .
H4AC H 0.1693 1.5507 0.1106 0.071 Uiso 1 1 calc R . . . .
C17 C 0.1058(3) 1.4224(6) 0.0268(3) 0.0504(18) Uani 1 1 d . . . . .
H17A H 0.0880 1.3963 -0.0118 0.076 Uiso 1 1 calc R . . . .
H17B H 0.1097 1.5018 0.0272 0.076 Uiso 1 1 calc R . . . .
H17C H 0.0785 1.4019 0.0438 0.076 Uiso 1 1 calc R . . . .
C29 C 0.1344(3) 1.1176(6) -0.1002(2) 0.0384(13) Uani 1 1 d . . . . .
H29A H 0.1270 1.0845 -0.1347 0.046 Uiso 1 1 calc R . . . .
C32 C 0.1595(3) 1.2758(5) -0.0416(2) 0.0356(12) Uani 1 1 d . . . . .
H32 H 0.1699 1.3508 -0.0355 0.043 Uiso 1 1 calc R . . . .
C40 C 0.1428(3) 1.1030(5) -0.0078(2) 0.0345(12) Uani 1 1 d . . . . .
H40 H 0.1404 1.0610 0.0210 0.041 Uiso 1 1 calc R . . . .
C44 C 0.4819(3) 0.7822(5) 0.3763(3) 0.0354(12) Uani 1 1 d D . . . .
H44A H 0.5159 0.8070 0.4119 0.042 Uiso 1 1 calc R . . . .
H44B H 0.4886 0.8147 0.3455 0.042 Uiso 1 1 calc R . . . .
C47 C 0.4761(3) 1.2008(6) 0.2354(3) 0.0458(16) Uani 1 1 d . . . . .
H47A H 0.4768 1.2335 0.2691 0.069 Uiso 1 1 calc R . . . .
H47B H 0.4411 1.2305 0.2025 0.069 Uiso 1 1 calc R . . . .
H47C H 0.5149 1.2174 0.2334 0.069 Uiso 1 1 calc R . . . .
C55 C 0.1469(3) 1.2274(6) -0.0928(2) 0.0371(13) Uani 1 1 d . . . . .
H55 H 0.1470 1.2700 -0.1224 0.045 Uiso 1 1 calc R . . . .
C59 C 0.1327(3) 1.0548(5) -0.0579(3) 0.0355(13) Uani 1 1 d . . . . .
H59 H 0.1245 0.9790 -0.0632 0.043 Uiso 1 1 calc R . . . .
C63 C 0.4026(3) 1.3739(5) 0.3188(3) 0.0368(13) Uani 1 1 d . . . . .
H63 H 0.3996 1.4461 0.3052 0.044 Uiso 1 1 calc R . . . .
C66 C 0.1566(3) 1.2128(5) 0.0000(2) 0.0310(11) Uani 1 1 d . . . . .
C127 C 0.4687(3) 1.0746(6) 0.2373(3) 0.0452(16) Uani 1 1 d . . . . .
C133 C 0.4577(3) 1.0371(5) 0.4340(2) 0.0371(13) Uani 1 1 d . . . . .
H13A H 0.4519 0.9634 0.4448 0.056 Uiso 1 1 calc GR . . . .
H13B H 0.4576 1.0894 0.4616 0.056 Uiso 1 1 calc GR . . . .
H13C H 0.4975 1.0411 0.4320 0.056 Uiso 1 1 calc GR . . . .
C135 C 0.4840(3) 0.6610(6) 0.3729(3) 0.0465(16) Uani 1 1 d . . . . .
H13D H 0.4512 0.6364 0.3373 0.070 Uiso 1 1 calc R . . . .
H13E H 0.4777 0.6286 0.4036 0.070 Uiso 1 1 calc R . . . .
H13F H 0.5244 0.6386 0.3758 0.070 Uiso 1 1 calc R . . . .
C138 C 0.2095(3) 1.2166(4) 0.1035(2) 0.0295(11) Uani 1 1 d . . . . .
C139 C 0.2033(3) 1.3982(5) 0.1141(2) 0.0371(13) Uani 1 1 d . . . . .
C148 C 0.3551(2) 1.2990(4) 0.2888(2) 0.0287(11) Uani 1 1 d . . . . .
C151 C 0.2306(3) 1.3048(4) 0.1422(2) 0.0281(11) Uani 1 1 d . . . . .
C155 C 0.3087(2) 1.3382(4) 0.2349(2) 0.0285(11) Uani 1 1 d . . . . .
H155 H 0.3051 1.4144 0.2283 0.034 Uiso 1 1 calc R . . . .
C172 C 0.5225(3) 1.0275(6) 0.2870(4) 0.057(2) Uani 1 1 d . . . . .
H17D H 0.5607 1.0374 0.2827 0.086 Uiso 1 1 calc R . . . .
H17E H 0.5155 0.9497 0.2899 0.086 Uiso 1 1 calc R . . . .
H17F H 0.5266 1.0648 0.3208 0.086 Uiso 1 1 calc R . . . .
C183 C 0.4528(3) 1.3452(5) 0.3669(3) 0.0456(16) Uani 1 1 d . . . . .
H183 H 0.4848 1.3965 0.3859 0.055 Uiso 1 1 calc R . . . .
C185 C 0.4647(4) 1.0210(7) 0.1833(4) 0.059(2) Uani 1 1 d . . . . .
H18A H 0.4307 1.0540 0.1509 0.088 Uiso 1 1 calc R . . . .
H18B H 0.4571 0.9428 0.1841 0.088 Uiso 1 1 calc R . . . .
H18C H 0.5038 1.0323 0.1809 0.088 Uiso 1 1 calc R . . . .
C199 C 0.4092(2) 1.1671(4) 0.3613(2) 0.0307(11) Uani 1 1 d . . . . .
C204 C 0.4570(3) 1.2395(5) 0.3880(3) 0.0463(17) Uani 1 1 d . . . . .
H204 H 0.4925 1.2180 0.4205 0.056 Uiso 1 1 calc R . . . .
C210 C 0.3573(2) 1.1939(5) 0.3118(2) 0.0285(11) Uani 1 1 d . . . . .
C213 C 0.4070(3) 1.0505(5) 0.2396(3) 0.0347(13) Uani 1 1 d . . . . .
Dy2 Dy 0.66671(2) 0.45037(2) 0.18664(2) 0.02355(8) Uani 1 1 d D . . . .
Co1 Co 0.71513(3) 0.63597(5) 0.29150(3) 0.02336(15) Uani 1 1 d . . . . .
O11 O 0.72650(16) 0.4742(3) 0.28448(15) 0.0234(7) Uani 1 1 d . . . . .
H11 H 0.7107 0.4295 0.3067 0.028 Uiso 1 1 calc R . . . .
O12 O 0.7002(2) 0.2604(3) 0.19455(18) 0.0375(9) Uani 1 1 d . . . . .
O19 O 0.60451(19) 0.5933(3) 0.10770(16) 0.0305(8) Uani 1 1 d . . . . .
O22 O 0.58066(18) 0.3497(3) 0.11858(17) 0.0326(8) Uani 1 1 d D . . . .
H22 H 0.5842(15) 0.318(5) 0.0917(18) 0.049 Uiso 1 1 d DR . . . .
O51 O 0.68902(17) 0.6448(3) 0.20589(15) 0.0241(7) Uani 1 1 d . . . . .
O58 O 0.6855(2) 0.4168(4) 0.10764(17) 0.0361(9) Uani 1 1 d . . . . .
H58A H 0.7245 0.4084 0.1180 0.054 Uiso 1 1 d GR . . . .
H58B H 0.6725 0.4708 0.0850 0.054 Uiso 1 1 d GR . . . .
O72 O 0.64140(19) 0.2989(3) 0.23465(17) 0.0334(8) Uani 1 1 d . . . . .
O78 O 0.6688(2) 0.1309(3) 0.2320(2) 0.0498(12) Uani 1 1 d . . . . .
O79 O 0.58931(17) 0.5147(3) 0.20590(16) 0.0293(8) Uani 1 1 d . . . . .
O90 O 0.75574(18) 0.6476(3) 0.37931(16) 0.0292(8) Uani 1 1 d . . . . .
O93 O 0.62431(17) 0.6285(3) 0.27894(16) 0.0299(8) Uani 1 1 d . . . . .
N3 N 0.8023(2) 0.7902(4) 0.44236(19) 0.0304(10) Uani 1 1 d . . . . .
N5 N 0.8030(2) 0.9040(4) 0.4379(2) 0.0351(11) Uani 1 1 d . . . . .
N35 N 0.6703(2) 0.2269(4) 0.2208(2) 0.0346(11) Uani 1 1 d . . . . .
N72 N 0.7156(2) 0.8031(3) 0.29690(18) 0.0252(9) Uani 1 1 d . . . . .
C0AA C 0.8364(3) 0.6301(5) 0.5004(2) 0.0354(12) Uani 1 1 d . . . . .
H0AA H 0.8384 0.5925 0.4702 0.043 Uiso 1 1 calc R . . . .
C1 C 0.6035(3) 0.9060(4) 0.1645(3) 0.0331(12) Uani 1 1 d . . . . .
H1 H 0.6042 0.9779 0.1779 0.040 Uiso 1 1 calc R . . . .
C1AA C 0.8518(3) 0.6343(5) 0.5961(2) 0.0374(13) Uani 1 1 d . . . . .
H1AA H 0.8643 0.5997 0.6312 0.045 Uiso 1 1 calc R . . . .
C2AA C 0.8179(3) 0.7380(5) 0.4947(2) 0.0311(11) Uani 1 1 d . . . . .
C3AA C 0.8148(3) 0.7941(5) 0.5385(2) 0.0328(12) Uani 1 1 d . . . . .
H3AA H 0.8002 0.8670 0.5337 0.039 Uiso 1 1 calc R . . . .
C20 C 0.8521(3) 0.5769(5) 0.5515(3) 0.0389(13) Uani 1 1 d . . . . .
H20 H 0.8630 0.5020 0.5555 0.047 Uiso 1 1 calc R . . . .
C28 C 0.8615(3) 0.9588(5) 0.4749(3) 0.0446(16) Uani 1 1 d . . . . .
H28A H 0.8747 0.9340 0.5132 0.067 Uiso 1 1 calc R . . . .
H28B H 0.8550 1.0377 0.4730 0.067 Uiso 1 1 calc R . . . .
H28C H 0.8936 0.9412 0.4629 0.067 Uiso 1 1 calc R . . . .
C41 C 0.7704(4) 1.0422(5) 0.3625(3) 0.0450(16) Uani 1 1 d . . . . .
H41A H 0.7364 1.0808 0.3658 0.068 Uiso 1 1 calc R . . . .
H41B H 0.7634 1.0425 0.3236 0.068 Uiso 1 1 calc R . . . .
H41C H 0.8097 1.0785 0.3856 0.068 Uiso 1 1 calc R . . . .
C65 C 0.7504(2) 0.8338(4) 0.3525(2) 0.0257(10) Uani 1 1 d . . . . .
C78 C 0.5002(4) 0.2141(7) 0.0977(4) 0.068(3) Uani 1 1 d . . . . .
H78A H 0.5016 0.1986 0.0624 0.102 Uiso 1 1 calc R . . . .
H78B H 0.4577 0.2043 0.0932 0.102 Uiso 1 1 calc R . . . .
H78C H 0.5280 0.1642 0.1265 0.102 Uiso 1 1 calc R . . . .
C84 C 0.6467(2) 0.8295(4) 0.1993(2) 0.0273(10) Uani 1 1 d . . . . .
C89 C 0.6850(2) 0.8671(4) 0.2556(2) 0.0273(10) Uani 1 1 d . . . . .
H89 H 0.6878 0.9433 0.2623 0.033 Uiso 1 1 calc R . . . .
C91 C 0.5105(3) 0.7203(5) 0.2499(3) 0.0370(13) Uani 1 1 d . . . . .
H91A H 0.5248 0.7784 0.2333 0.055 Uiso 1 1 calc R . . . .
H91B H 0.5373 0.7174 0.2901 0.055 Uiso 1 1 calc R . . . .
H91C H 0.4677 0.7350 0.2433 0.055 Uiso 1 1 calc R . . . .
C94 C 0.5133(3) 0.6113(5) 0.2235(3) 0.0337(12) Uani 1 1 d . . . . .
C97 C 0.8331(3) 0.7422(5) 0.5892(2) 0.0368(13) Uani 1 1 d . . . . .
H97 H 0.8328 0.7812 0.6198 0.044 Uiso 1 1 calc R . . . .
C99 C 0.7688(3) 0.7466(4) 0.3907(2) 0.0277(10) Uani 1 1 d . . . . .
C108 C 0.5571(3) 0.5637(5) 0.0539(2) 0.0382(14) Uani 1 1 d . . . . .
H10A H 0.5651 0.4902 0.0444 0.057 Uiso 1 1 calc R . . . .
H10B H 0.5571 0.6153 0.0260 0.057 Uiso 1 1 calc R . . . .
H10C H 0.5166 0.5653 0.0546 0.057 Uiso 1 1 calc R . . . .
C109 C 0.7727(3) 0.9289(5) 0.3816(2) 0.0341(12) Uani 1 1 d . . . . .
C124 C 0.5602(3) 0.8796(5) 0.1118(3) 0.0414(14) Uani 1 1 d . . . . .
H124 H 0.5310 0.9323 0.0893 0.050 Uiso 1 1 calc R . . . .
C149 C 0.4730(3) 0.6178(7) 0.1597(3) 0.0504(17) Uani 1 1 d . . . . .
H14A H 0.4302 0.6353 0.1519 0.076 Uiso 1 1 calc R . . . .
H14B H 0.4740 0.5475 0.1427 0.076 Uiso 1 1 calc R . . . .
H14C H 0.4894 0.6745 0.1440 0.076 Uiso 1 1 calc R . . . .
C154 C 0.4892(3) 0.5187(6) 0.2467(4) 0.0517(17) Uani 1 1 d . . . . .
H15A H 0.5124 0.5171 0.2874 0.078 Uiso 1 1 calc R . . . .
H15B H 0.4945 0.4494 0.2313 0.078 Uiso 1 1 calc R . . . .
H15C H 0.4451 0.5303 0.2364 0.078 Uiso 1 1 calc R . . . .
C159 C 0.5595(3) 0.7747(5) 0.0915(2) 0.0363(13) Uani 1 1 d . . . . .
H159 H 0.5293 0.7552 0.0553 0.044 Uiso 1 1 calc R . . . .
C188 C 0.5810(3) 0.5833(4) 0.2368(2) 0.0273(10) Uani 1 1 d . . . . .
C192 C 0.6475(2) 0.7242(4) 0.1779(2) 0.0238(10) Uani 1 1 d . . . . .
C194 C 0.6027(3) 0.6994(4) 0.1244(2) 0.0302(11) Uani 1 1 d . . . . .
C208 C 0.5201(3) 0.3274(6) 0.1146(3) 0.0412(14) Uani 1 1 d D . . . .
H20A H 0.4897 0.3776 0.0871 0.049 Uiso 1 1 calc R . . . .
H20B H 0.5203 0.3416 0.1511 0.049 Uiso 1 1 calc R . . . .
O1 O 0.2910(5) 0.9101(9) 0.1164(5) 0.123(3) Uiso 1 1 d D . . . .
H1A H 0.2886 0.9607 0.0944 0.184 Uiso 1 1 calc GR . . . .
C7 C 0.3198(9) 0.8148(15) 0.1045(9) 0.183(8) Uiso 1 1 d D . . . .
H7A H 0.3460 0.7819 0.1412 0.220 Uiso 1 1 calc R . . . .
H7B H 0.3488 0.8443 0.0907 0.220 Uiso 1 1 calc R . . . .
C9 C 0.2879(11) 0.7213(19) 0.0669(10) 0.233(12) Uiso 1 1 d D . . . .
H9A H 0.2585 0.7491 0.0304 0.350 Uiso 1 1 calc R . . . .
H9B H 0.2655 0.6785 0.0832 0.350 Uiso 1 1 calc R . . . .
H9C H 0.3187 0.6752 0.0626 0.350 Uiso 1 1 calc R . . . .
O15 O 0.0917(3) 0.6693(5) -0.0292(2) 0.0569(14) Uani 1 1 d . . . . .
O21 O 0.0900(3) 0.6871(5) 0.0500(2) 0.0643(15) Uani 1 1 d . . . . .
O43 O 0.0954(3) 0.8298(4) 0.0045(2) 0.0576(14) Uani 1 1 d . . . . .
N79 N 0.0939(2) 0.7279(4) 0.0087(2) 0.0405(12) Uani 1 1 d . . . . .
O23 O 0.4081(3) 0.8086(5) 0.0372(2) 0.0667(17) Uani 1 1 d . . . . .
O121 O 0.4159(4) 0.7659(12) -0.0341(4) 0.170(6) Uani 1 1 d . . . . .
O220 O 0.3891(5) 0.6468(6) -0.0014(3) 0.111(3) Uani 1 1 d . . . . .
N157 N 0.3985(3) 0.7503(5) -0.0025(3) 0.0461(13) Uani 1 1 d . . . . .


_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
Dy6 Co5 3.4067(8) . ?
Dy6 Co5 3.4588(8) 2 ?
Dy6 O4 2.602(4) . ?
Dy6 O8 2.389(4) . ?
Dy6 O29 2.402(4) . ?
Dy6 O37 2.465(4) . ?
Dy6 O42 2.455(4) . ?
Dy6 O46 2.381(3) 2 ?
Dy6 O46 2.351(4) . ?
Dy6 O54 2.299(4) . ?
Dy6 O63 2.458(4) . ?
Dy6 N73 2.877(5) . ?
Co5 Dy6 3.4588(8) 2 ?
Co5 O28 2.033(4) . ?
Co5 O30 2.126(4) . ?
Co5 O46 2.021(4) 2 ?
Co5 O63 2.243(4) 2 ?
Co5 O63 2.085(4) . ?
Co5 N129 2.055(5) . ?
O4 C133 1.441(6) . ?
O4 C199 1.385(6) . ?
O8 H8A 0.8531 . ?
O8 H8B 0.8533 . ?
O28 C213 1.273(7) . ?
O29 H29 0.854(9) . ?
O29 C44 1.441(7) . ?
O30 C138 1.254(6) . ?
O37 N73 1.279(6) . ?
O42 N73 1.270(7) . ?
O46 Dy6 2.381(3) 2 ?
O46 Co5 2.021(4) 2 ?
O46 H46 1.0000 . ?
O48 N73 1.219(6) . ?
O54 C213 1.250(7) . ?
O63 Co5 2.243(4) 2 ?
O63 C210 1.356(6) . ?
N27 N81 1.403(7) . ?
N27 C17 1.492(8) . ?
N27 C139 1.374(8) . ?
N81 C66 1.427(7) . ?
N81 C138 1.370(7) . ?
N129 C151 1.393(6) . ?
N129 C155 1.294(7) . ?
C4AA H4AA 0.9800 . ?
C4AA H4AB 0.9800 . ?
C4AA H4AC 0.9800 . ?
C4AA C139 1.481(8) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C29 H29A 0.9500 . ?
C29 C55 1.378(9) . ?
C29 C59 1.385(9) . ?
C32 H32 0.9500 . ?
C32 C55 1.399(8) . ?
C32 C66 1.384(8) . ?
C40 H40 0.9500 . ?
C40 C59 1.384(8) . ?
C40 C66 1.383(8) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C44 C135 1.494(9) . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C47 C127 1.564(9) . ?
C55 H55 0.9500 . ?
C59 H59 0.9500 . ?
C63 H63 0.9500 . ?
C63 C148 1.408(7) . ?
C63 C183 1.367(8) . ?
C127 C172 1.504(9) . ?
C127 C185 1.550(11) . ?
C127 C213 1.537(9) . ?
C133 H13A 0.9800 . ?
C133 H13B 0.9800 . ?
C133 H13C 0.9800 . ?
C135 H13D 0.9800 . ?
C135 H13E 0.9800 . ?
C135 H13F 0.9800 . ?
C138 C151 1.428(8) . ?
C139 C151 1.371(7) . ?
C148 C155 1.462(7) . ?
C148 C210 1.422(7) . ?
C155 H155 0.9500 . ?
C172 H17D 0.9800 . ?
C172 H17E 0.9800 . ?
C172 H17F 0.9800 . ?
C183 H183 0.9500 . ?
C183 C204 1.401(8) . ?
C185 H18A 0.9800 . ?
C185 H18B 0.9800 . ?
C185 H18C 0.9800 . ?
C199 C204 1.376(8) . ?
C199 C210 1.402(7) . ?
C204 H204 0.9500 . ?
Dy2 Co1 3.3975(8) . ?
Dy2 Co1 3.4844(8) 2_655 ?
Dy2 O11 2.384(4) . ?
Dy2 O11 2.350(3) 2_655 ?
Dy2 O12 2.448(4) . ?
Dy2 O19 2.644(4) . ?
Dy2 O22 2.409(4) . ?
Dy2 O51 2.453(3) . ?
Dy2 O58 2.383(4) . ?
Dy2 O72 2.484(4) . ?
Dy2 O79 2.279(4) . ?
Dy2 N35 2.883(5) . ?
Co1 Dy2 3.4844(8) 2_655 ?
Co1 O11 2.027(3) . ?
Co1 O51 2.276(4) 2_655 ?
Co1 O51 2.093(4) . ?
Co1 O90 2.114(4) . ?
Co1 O93 2.058(4) . ?
Co1 N72 2.058(4) . ?
O11 Dy2 2.349(3) 2_655 ?
O11 H11 1.0000 . ?
O12 N35 1.272(7) . ?
O19 C108 1.434(7) . ?
O19 C194 1.385(6) . ?
O22 H22 0.852(9) . ?
O22 C208 1.438(7) . ?
O51 Co1 2.276(4) 2_655 ?
O51 C192 1.360(6) . ?
O58 H58A 0.8588 . ?
O58 H58B 0.8590 . ?
O72 N35 1.276(6) . ?
O78 N35 1.222(6) . ?
O79 C188 1.257(6) . ?
O90 C99 1.259(6) . ?
O93 C188 1.276(6) . ?
N3 N5 1.404(6) . ?
N3 C2AA 1.431(7) . ?
N3 C99 1.366(7) . ?
N5 C28 1.478(7) . ?
N5 C109 1.387(7) . ?
N72 C65 1.398(6) . ?
N72 C89 1.291(7) . ?
C0AA H0AA 0.9500 . ?
C0AA C2AA 1.384(8) . ?
C0AA C20 1.409(8) . ?
C1 H1 0.9500 . ?
C1 C84 1.406(7) . ?
C1 C124 1.372(8) . ?
C1AA H1AA 0.9500 . ?
C1AA C20 1.389(9) . ?
C1AA C97 1.387(9) . ?
C2AA C3AA 1.391(8) . ?
C3AA H3AA 0.9500 . ?
C3AA C97 1.383(8) . ?
C20 H20 0.9500 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C41 C109 1.474(8) . ?
C65 C99 1.410(7) . ?
C65 C109 1.375(7) . ?
C78 H78A 0.9800 . ?
C78 H78B 0.9800 . ?
C78 H78C 0.9800 . ?
C78 C208 1.477(10) . ?
C84 C89 1.450(7) . ?
C84 C192 1.419(7) . ?
C89 H89 0.9500 . ?
C91 H91A 0.9800 . ?
C91 H91B 0.9800 . ?
C91 H91C 0.9800 . ?
C91 C94 1.529(8) . ?
C94 C149 1.550(9) . ?
C94 C154 1.527(9) . ?
C94 C188 1.542(8) . ?
C97 H97 0.9500 . ?
C108 H10A 0.9800 . ?
C108 H10B 0.9800 . ?
C108 H10C 0.9800 . ?
C124 H124 0.9500 . ?
C124 C159 1.396(8) . ?
C149 H14A 0.9800 . ?
C149 H14B 0.9800 . ?
C149 H14C 0.9800 . ?
C154 H15A 0.9800 . ?
C154 H15B 0.9800 . ?
C154 H15C 0.9800 . ?
C159 H159 0.9500 . ?
C159 C194 1.379(8) . ?
C192 C194 1.394(7) . ?
C208 H20A 0.9900 . ?
C208 H20B 0.9900 . ?
O1 H1A 0.8400 . ?
O1 C7 1.464(15) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 C9 1.496(16) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
O15 N79 1.226(7) . ?
O21 N79 1.252(8) . ?
O43 N79 1.259(8) . ?
O23 N157 1.214(7) . ?
O121 N157 1.112(10) . ?
O220 N157 1.294(10) . ?

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
Co5 Dy6 Co5 57.17(2) . 2 ?
O4 Dy6 Co5 81.15(10) . 2 ?
O4 Dy6 Co5 94.67(8) . . ?
O4 Dy6 N73 144.18(12) . . ?
O8 Dy6 Co5 75.15(10) . 2 ?
O8 Dy6 Co5 131.98(10) . . ?
O8 Dy6 O4 70.97(14) . . ?
O8 Dy6 O29 69.86(14) . . ?
O8 Dy6 O37 123.89(14) . . ?
O8 Dy6 O42 76.66(14) . . ?
O8 Dy6 O63 101.13(13) . . ?
O8 Dy6 N73 100.13(15) . . ?
O29 Dy6 Co5 151.66(10) . . ?
O29 Dy6 Co5 142.18(11) . 2 ?
O29 Dy6 O4 74.37(13) . . ?
O29 Dy6 O37 73.29(14) . . ?
O29 Dy6 O42 72.20(13) . . ?
O29 Dy6 O63 135.25(13) . . ?
O29 Dy6 N73 70.08(13) . . ?
O37 Dy6 Co5 99.10(9) . . ?
O37 Dy6 Co5 141.28(9) . 2 ?
O37 Dy6 O4 134.84(14) . . ?
O37 Dy6 N73 26.28(14) . . ?
O42 Dy6 Co5 125.23(9) . . ?
O42 Dy6 Co5 113.34(10) . 2 ?
O42 Dy6 O4 139.60(12) . . ?
O42 Dy6 O37 52.32(14) . . ?
O42 Dy6 O63 150.63(12) . . ?
O42 Dy6 N73 26.05(14) . . ?
O46 Dy6 Co5 35.59(9) 2 . ?
O46 Dy6 Co5 71.46(9) 2 2 ?
O46 Dy6 Co5 34.47(9) . 2 ?
O46 Dy6 Co5 72.80(9) . . ?
O46 Dy6 O4 110.94(13) . . ?
O46 Dy6 O4 130.25(12) 2 . ?
O46 Dy6 O8 70.74(13) . . ?
O46 Dy6 O8 135.13(13) 2 . ?
O46 Dy6 O29 145.82(14) 2 . ?
O46 Dy6 O29 135.45(13) . . ?
O46 Dy6 O37 72.74(12) 2 . ?
O46 Dy6 O37 114.21(12) . . ?
O46 Dy6 O42 79.28(13) . . ?
O46 Dy6 O42 89.88(13) 2 . ?
O46 Dy6 O46 64.71(15) . 2 ?
O46 Dy6 O63 70.85(12) 2 . ?
O46 Dy6 O63 72.55(12) . . ?
O46 Dy6 N73 97.55(13) . . ?
O46 Dy6 N73 81.05(12) 2 . ?
O54 Dy6 Co5 66.06(9) . . ?
O54 Dy6 Co5 114.26(9) . 2 ?
O54 Dy6 O4 72.85(14) . . ?
O54 Dy6 O8 140.49(14) . . ?
O54 Dy6 O29 85.64(13) . . ?
O54 Dy6 O37 74.06(14) . . ?
O54 Dy6 O42 125.61(14) . . ?
O54 Dy6 O46 138.85(13) . . ?
O54 Dy6 O46 81.60(13) . 2 ?
O54 Dy6 O63 74.59(13) . . ?
O54 Dy6 N73 99.87(15) . . ?
O63 Dy6 Co5 37.43(8) . . ?
O63 Dy6 Co5 40.28(8) . 2 ?
O63 Dy6 O4 61.61(11) . . ?
O63 Dy6 O37 134.57(12) . . ?
O63 Dy6 N73 151.83(12) . . ?
N73 Dy6 Co5 114.76(9) . . ?
N73 Dy6 Co5 131.39(9) . 2 ?
Dy6 Co5 Dy6 70.331(16) . 2 ?
O28 Co5 Dy6 134.42(12) . 2 ?
O28 Co5 Dy6 82.93(11) . . ?
O28 Co5 O30 94.12(16) . . ?
O28 Co5 O63 174.15(15) . 2 ?
O28 Co5 O63 93.37(16) . . ?
O28 Co5 N129 93.97(17) . . ?
O30 Co5 Dy6 141.96(11) . . ?
O30 Co5 Dy6 86.04(11) . 2 ?
O30 Co5 O63 91.66(14) . 2 ?
O46 Co5 Dy6 43.30(10) 2 . ?
O46 Co5 Dy6 41.18(10) 2 2 ?
O46 Co5 O28 94.52(16) 2 . ?
O46 Co5 O30 99.69(15) 2 . ?
O46 Co5 O63 86.19(14) 2 . ?
O46 Co5 O63 83.58(14) 2 2 ?
O46 Co5 N129 171.18(17) 2 . ?
O63 Co5 Dy6 45.76(10) . . ?
O63 Co5 Dy6 93.36(10) . 2 ?
O63 Co5 Dy6 91.94(9) 2 . ?
O63 Co5 Dy6 45.10(9) 2 2 ?
O63 Co5 O30 170.08(15) . . ?
O63 Co5 O63 81.00(14) . 2 ?
N129 Co5 Dy6 130.91(13) . 2 ?
N129 Co5 Dy6 135.94(12) . . ?
N129 Co5 O30 82.05(16) . . ?
N129 Co5 O63 90.95(16) . . ?
N129 Co5 O63 87.74(16) . 2 ?
C133 O4 Dy6 125.8(3) . . ?
C199 O4 Dy6 116.9(3) . . ?
C199 O4 C133 115.1(4) . . ?
Dy6 O8 H8A 109.6 . . ?
Dy6 O8 H8B 109.5 . . ?
H8A O8 H8B 109.3 . . ?
C213 O28 Co5 125.3(4) . . ?
Dy6 O29 H29 114.7(14) . . ?
C44 O29 Dy6 135.5(3) . . ?
C44 O29 H29 107.9(15) . . ?
C138 O30 Co5 106.0(3) . . ?
N73 O37 Dy6 95.1(3) . . ?
N73 O42 Dy6 95.8(3) . . ?
Dy6 O46 Dy6 113.38(15) . 2 ?
Dy6 O46 H46 112.4 2 . ?
Dy6 O46 H46 112.4 . . ?
Co5 O46 Dy6 101.11(15) 2 2 ?
Co5 O46 Dy6 104.36(14) 2 . ?
Co5 O46 H46 112.4 2 . ?
C213 O54 Dy6 139.2(4) . . ?
Co5 O63 Dy6 94.63(13) 2 . ?
Co5 O63 Dy6 96.82(14) . . ?
Co5 O63 Co5 98.68(14) . 2 ?
C210 O63 Dy6 121.4(3) . . ?
C210 O63 Co5 124.9(3) . 2 ?
C210 O63 Co5 114.8(3) . . ?
N81 N27 C17 114.3(5) . . ?
C139 N27 N81 108.3(4) . . ?
C139 N27 C17 120.8(5) . . ?
O37 N73 Dy6 58.6(3) . . ?
O42 N73 Dy6 58.1(3) . . ?
O42 N73 O37 116.7(5) . . ?
O48 N73 Dy6 176.8(4) . . ?
O48 N73 O37 121.1(5) . . ?
O48 N73 O42 122.3(5) . . ?
N27 N81 C66 120.4(5) . . ?
C138 N81 N27 108.1(5) . . ?
C138 N81 C66 125.2(5) . . ?
C151 N129 Co5 109.6(3) . . ?
C155 N129 Co5 123.9(4) . . ?
C155 N129 C151 126.2(5) . . ?
H4AA C4AA H4AB 109.5 . . ?
H4AA C4AA H4AC 109.5 . . ?
H4AB C4AA H4AC 109.5 . . ?
C139 C4AA H4AA 109.5 . . ?
C139 C4AA H4AB 109.5 . . ?
C139 C4AA H4AC 109.5 . . ?
N27 C17 H17A 109.5 . . ?
N27 C17 H17B 109.5 . . ?
N27 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C55 C29 H29A 119.6 . . ?
C55 C29 C59 120.8(6) . . ?
C59 C29 H29A 119.6 . . ?
C55 C32 H32 120.5 . . ?
C66 C32 H32 120.5 . . ?
C66 C32 C55 119.0(6) . . ?
C59 C40 H40 120.2 . . ?
C66 C40 H40 120.2 . . ?
C66 C40 C59 119.5(6) . . ?
O29 C44 H44A 109.3 . . ?
O29 C44 H44B 109.3 . . ?
O29 C44 C135 111.6(5) . . ?
H44A C44 H44B 108.0 . . ?
C135 C44 H44A 109.3 . . ?
C135 C44 H44B 109.3 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C127 C47 H47A 109.5 . . ?
C127 C47 H47B 109.5 . . ?
C127 C47 H47C 109.5 . . ?
C29 C55 C32 119.8(6) . . ?
C29 C55 H55 120.1 . . ?
C32 C55 H55 120.1 . . ?
C29 C59 H59 120.1 . . ?
C40 C59 C29 119.7(6) . . ?
C40 C59 H59 120.1 . . ?
C148 C63 H63 119.2 . . ?
C183 C63 H63 119.2 . . ?
C183 C63 C148 121.7(5) . . ?
C32 C66 N81 120.4(5) . . ?
C40 C66 N81 118.4(5) . . ?
C40 C66 C32 121.2(5) . . ?
C172 C127 C47 110.1(6) . . ?
C172 C127 C185 109.6(6) . . ?
C172 C127 C213 111.0(5) . . ?
C185 C127 C47 110.6(6) . . ?
C213 C127 C47 108.5(5) . . ?
C213 C127 C185 106.9(6) . . ?
O4 C133 H13A 109.5 . . ?
O4 C133 H13B 109.5 . . ?
O4 C133 H13C 109.5 . . ?
H13A C133 H13B 109.5 . . ?
H13A C133 H13C 109.5 . . ?
H13B C133 H13C 109.5 . . ?
C44 C135 H13D 109.5 . . ?
C44 C135 H13E 109.5 . . ?
C44 C135 H13F 109.5 . . ?
H13D C135 H13E 109.5 . . ?
H13D C135 H13F 109.5 . . ?
H13E C135 H13F 109.5 . . ?
O30 C138 N81 126.7(5) . . ?
O30 C138 C151 126.2(5) . . ?
N81 C138 C151 107.1(5) . . ?
N27 C139 C4AA 121.7(5) . . ?
C151 C139 N27 108.4(5) . . ?
C151 C139 C4AA 129.9(6) . . ?
C63 C148 C155 114.8(5) . . ?
C63 C148 C210 118.8(5) . . ?
C210 C148 C155 126.3(5) . . ?
N129 C151 C138 113.9(4) . . ?
C139 C151 N129 138.2(5) . . ?
C139 C151 C138 107.9(5) . . ?
N129 C155 C148 123.1(5) . . ?
N129 C155 H155 118.5 . . ?
C148 C155 H155 118.5 . . ?
C127 C172 H17D 109.5 . . ?
C127 C172 H17E 109.5 . . ?
C127 C172 H17F 109.5 . . ?
H17D C172 H17E 109.5 . . ?
H17D C172 H17F 109.5 . . ?
H17E C172 H17F 109.5 . . ?
C63 C183 H183 120.2 . . ?
C63 C183 C204 119.6(5) . . ?
C204 C183 H183 120.2 . . ?
C127 C185 H18A 109.5 . . ?
C127 C185 H18B 109.5 . . ?
C127 C185 H18C 109.5 . . ?
H18A C185 H18B 109.5 . . ?
H18A C185 H18C 109.5 . . ?
H18B C185 H18C 109.5 . . ?
O4 C199 C210 114.2(5) . . ?
C204 C199 O4 123.9(5) . . ?
C204 C199 C210 122.0(5) . . ?
C183 C204 H204 120.1 . . ?
C199 C204 C183 119.7(5) . . ?
C199 C204 H204 120.1 . . ?
O63 C210 C148 124.6(5) . . ?
O63 C210 C199 117.5(5) . . ?
C199 C210 C148 118.0(5) . . ?
O28 C213 C127 115.5(5) . . ?
O54 C213 O28 124.8(6) . . ?
O54 C213 C127 119.7(5) . . ?
Co1 Dy2 Co1 57.64(2) . 2_655 ?
O11 Dy2 Co1 34.12(8) 2_655 2_655 ?
O11 Dy2 Co1 35.91(8) . . ?
O11 Dy2 Co1 71.52(8) . 2_655 ?
O11 Dy2 Co1 73.61(9) 2_655 . ?
O11 Dy2 O11 65.24(15) 2_655 . ?
O11 Dy2 O12 90.36(13) . . ?
O11 Dy2 O12 79.69(13) 2_655 . ?
O11 Dy2 O19 130.53(11) . . ?
O11 Dy2 O19 109.32(12) 2_655 . ?
O11 Dy2 O22 139.64(13) 2_655 . ?
O11 Dy2 O22 142.55(13) . . ?
O11 Dy2 O51 72.76(12) 2_655 . ?
O11 Dy2 O51 71.32(12) . . ?
O11 Dy2 O58 72.96(14) 2_655 . ?
O11 Dy2 O72 72.01(12) . . ?
O11 Dy2 O72 113.83(13) 2_655 . ?
O11 Dy2 N35 97.98(13) 2_655 . ?
O11 Dy2 N35 81.38(13) . . ?
O12 Dy2 Co1 113.43(10) . 2_655 ?
O12 Dy2 Co1 126.08(10) . . ?
O12 Dy2 O19 138.67(13) . . ?
O12 Dy2 O51 151.37(13) . . ?
O12 Dy2 O72 52.16(14) . . ?
O12 Dy2 N35 26.01(15) . . ?
O19 Dy2 Co1 80.29(9) . 2_655 ?
O19 Dy2 Co1 94.62(8) . . ?
O19 Dy2 N35 144.36(12) . . ?
O22 Dy2 Co1 145.86(10) . 2_655 ?
O22 Dy2 Co1 146.74(10) . . ?
O22 Dy2 O12 73.45(14) . . ?
O22 Dy2 O19 75.11(13) . . ?
O22 Dy2 O51 133.98(13) . . ?
O22 Dy2 O72 71.43(14) . . ?
O22 Dy2 N35 69.25(14) . . ?
O51 Dy2 Co1 40.60(9) . 2_655 ?
O51 Dy2 Co1 37.74(8) . . ?
O51 Dy2 O19 61.00(11) . . ?
O51 Dy2 O72 134.58(12) . . ?
O51 Dy2 N35 152.62(13) . . ?
O58 Dy2 Co1 78.66(10) . 2_655 ?
O58 Dy2 Co1 135.91(10) . . ?
O58 Dy2 O11 137.43(14) . . ?
O58 Dy2 O12 74.24(15) . . ?
O58 Dy2 O19 70.63(14) . . ?
O58 Dy2 O22 71.10(14) . . ?
O58 Dy2 O51 104.21(13) . . ?
O58 Dy2 O72 120.92(14) . . ?
O58 Dy2 N35 97.18(15) . . ?
O72 Dy2 Co1 98.58(9) . . ?
O72 Dy2 Co1 140.41(9) . 2_655 ?
O72 Dy2 O19 136.82(13) . . ?
O72 Dy2 N35 26.19(14) . . ?
O79 Dy2 Co1 66.25(9) . . ?
O79 Dy2 Co1 114.87(9) . 2_655 ?
O79 Dy2 O11 139.83(13) . 2_655 ?
O79 Dy2 O11 82.32(13) . . ?
O79 Dy2 O12 125.53(14) . . ?
O79 Dy2 O19 73.71(14) . . ?
O79 Dy2 O22 80.49(13) . . ?
O79 Dy2 O51 74.88(13) . . ?
O79 Dy2 O58 138.82(15) . . ?
O79 Dy2 O72 74.53(14) . . ?
O79 Dy2 N35 99.94(15) . . ?
N35 Dy2 Co1 131.45(10) . 2_655 ?
N35 Dy2 Co1 115.25(10) . . ?
Dy2 Co1 Dy2 69.909(15) . 2_655 ?
O11 Co1 Dy2 43.63(10) . . ?
O11 Co1 Dy2 40.57(10) . 2_655 ?
O11 Co1 O51 86.40(14) . . ?
O11 Co1 O51 82.74(13) . 2_655 ?
O11 Co1 O90 98.87(14) . . ?
O11 Co1 O93 96.74(15) . . ?
O11 Co1 N72 171.28(16) . . ?
O51 Co1 Dy2 45.84(9) . . ?
O51 Co1 Dy2 92.68(10) . 2_655 ?
O51 Co1 Dy2 44.54(9) 2_655 2_655 ?
O51 Co1 Dy2 91.78(9) 2_655 . ?
O51 Co1 O51 80.94(15) . 2_655 ?
O51 Co1 O90 168.76(15) . . ?
O90 Co1 Dy2 85.11(11) . 2_655 ?
O90 Co1 Dy2 141.72(10) . . ?
O90 Co1 O51 89.84(14) . 2_655 ?
O93 Co1 Dy2 83.25(10) . . ?
O93 Co1 Dy2 136.45(11) . 2_655 ?
O93 Co1 O51 92.21(15) . . ?
O93 Co1 O51 173.16(14) . 2_655 ?
O93 Co1 O90 96.98(15) . . ?
N72 Co1 Dy2 135.80(13) . . ?
N72 Co1 Dy2 131.51(12) . 2_655 ?
N72 Co1 O51 90.86(15) . . ?
N72 Co1 O51 88.66(15) . 2_655 ?
N72 Co1 O90 82.47(16) . . ?
N72 Co1 O93 91.62(16) . . ?
Dy2 O11 Dy2 112.84(15) 2_655 . ?
Dy2 O11 H11 112.5 2_655 . ?
Dy2 O11 H11 112.5 . . ?
Co1 O11 Dy2 105.31(14) . 2_655 ?
Co1 O11 Dy2 100.46(14) . . ?
Co1 O11 H11 112.5 . . ?
N35 O12 Dy2 96.5(3) . . ?
C108 O19 Dy2 123.5(3) . . ?
C194 O19 Dy2 117.1(3) . . ?
C194 O19 C108 116.0(4) . . ?
Dy2 O22 H22 119.9(14) . . ?
C208 O22 Dy2 131.1(3) . . ?
C208 O22 H22 109.0(14) . . ?
Co1 O51 Dy2 96.41(13) . . ?
Co1 O51 Dy2 94.86(12) 2_655 . ?
Co1 O51 Co1 98.77(15) . 2_655 ?
C192 O51 Dy2 123.0(3) . . ?
C192 O51 Co1 122.5(3) . 2_655 ?
C192 O51 Co1 115.7(3) . . ?
Dy2 O58 H58A 110.0 . . ?
Dy2 O58 H58B 109.9 . . ?
H58A O58 H58B 109.0 . . ?
N35 O72 Dy2 94.6(3) . . ?
C188 O79 Dy2 139.8(3) . . ?
C99 O90 Co1 106.1(3) . . ?
C188 O93 Co1 123.9(4) . . ?
N5 N3 C2AA 121.5(4) . . ?
C99 N3 N5 109.2(4) . . ?
C99 N3 C2AA 126.6(5) . . ?
N3 N5 C28 116.1(5) . . ?
C109 N5 N3 107.0(4) . . ?
C109 N5 C28 121.0(5) . . ?
O12 N35 Dy2 57.5(3) . . ?
O12 N35 O72 116.5(4) . . ?
O72 N35 Dy2 59.2(3) . . ?
O78 N35 Dy2 175.9(4) . . ?
O78 N35 O12 122.2(5) . . ?
O78 N35 O72 121.3(6) . . ?
C65 N72 Co1 109.0(3) . . ?
C89 N72 Co1 124.4(4) . . ?
C89 N72 C65 126.5(4) . . ?
C2AA C0AA H0AA 120.4 . . ?
C2AA C0AA C20 119.1(6) . . ?
C20 C0AA H0AA 120.4 . . ?
C84 C1 H1 119.1 . . ?
C124 C1 H1 119.1 . . ?
C124 C1 C84 121.7(5) . . ?
C20 C1AA H1AA 120.1 . . ?
C97 C1AA H1AA 120.1 . . ?
C97 C1AA C20 119.7(6) . . ?
C0AA C2AA N3 118.1(5) . . ?
C0AA C2AA C3AA 121.0(5) . . ?
C3AA C2AA N3 120.9(5) . . ?
C2AA C3AA H3AA 120.5 . . ?
C97 C3AA C2AA 119.1(6) . . ?
C97 C3AA H3AA 120.5 . . ?
C0AA C20 H20 120.1 . . ?
C1AA C20 C0AA 119.8(6) . . ?
C1AA C20 H20 120.1 . . ?
N5 C28 H28A 109.5 . . ?
N5 C28 H28B 109.5 . . ?
N5 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C109 C41 H41A 109.5 . . ?
C109 C41 H41B 109.5 . . ?
C109 C41 H41C 109.5 . . ?
N72 C65 C99 114.5(4) . . ?
C109 C65 N72 137.0(5) . . ?
C109 C65 C99 108.5(5) . . ?
H78A C78 H78B 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C208 C78 H78A 109.5 . . ?
C208 C78 H78B 109.5 . . ?
C208 C78 H78C 109.5 . . ?
C1 C84 C89 114.8(5) . . ?
C1 C84 C192 118.7(5) . . ?
C192 C84 C89 126.5(5) . . ?
N72 C89 C84 123.7(5) . . ?
N72 C89 H89 118.1 . . ?
C84 C89 H89 118.1 . . ?
H91A C91 H91B 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
C94 C91 H91A 109.5 . . ?
C94 C91 H91B 109.5 . . ?
C94 C91 H91C 109.5 . . ?
C91 C94 C149 109.3(5) . . ?
C91 C94 C188 110.2(5) . . ?
C154 C94 C91 111.3(5) . . ?
C154 C94 C149 108.8(6) . . ?
C154 C94 C188 106.9(5) . . ?
C188 C94 C149 110.4(5) . . ?
C1AA C97 H97 119.5 . . ?
C3AA C97 C1AA 121.1(5) . . ?
C3AA C97 H97 119.5 . . ?
O90 C99 N3 126.6(5) . . ?
O90 C99 C65 126.4(5) . . ?
N3 C99 C65 106.9(4) . . ?
O19 C108 H10A 109.5 . . ?
O19 C108 H10B 109.5 . . ?
O19 C108 H10C 109.5 . . ?
H10A C108 H10B 109.5 . . ?
H10A C108 H10C 109.5 . . ?
H10B C108 H10C 109.5 . . ?
N5 C109 C41 120.3(5) . . ?
C65 C109 N5 108.3(5) . . ?
C65 C109 C41 131.4(6) . . ?
C1 C124 H124 120.3 . . ?
C1 C124 C159 119.5(5) . . ?
C159 C124 H124 120.3 . . ?
C94 C149 H14A 109.5 . . ?
C94 C149 H14B 109.5 . . ?
C94 C149 H14C 109.5 . . ?
H14A C149 H14B 109.5 . . ?
H14A C149 H14C 109.5 . . ?
H14B C149 H14C 109.5 . . ?
C94 C154 H15A 109.5 . . ?
C94 C154 H15B 109.5 . . ?
C94 C154 H15C 109.5 . . ?
H15A C154 H15B 109.5 . . ?
H15A C154 H15C 109.5 . . ?
H15B C154 H15C 109.5 . . ?
C124 C159 H159 120.2 . . ?
C194 C159 C124 119.7(5) . . ?
C194 C159 H159 120.2 . . ?
O79 C188 O93 124.6(5) . . ?
O79 C188 C94 117.1(5) . . ?
O93 C188 C94 118.3(5) . . ?
O51 C192 C84 124.7(5) . . ?
O51 C192 C194 117.2(5) . . ?
C194 C192 C84 118.1(5) . . ?
O19 C194 C192 114.6(5) . . ?
C159 C194 O19 123.3(5) . . ?
C159 C194 C192 122.1(5) . . ?
O22 C208 C78 112.5(6) . . ?
O22 C208 H20A 109.1 . . ?
O22 C208 H20B 109.1 . . ?
C78 C208 H20A 109.1 . . ?
C78 C208 H20B 109.1 . . ?
H20A C208 H20B 107.8 . . ?
C7 O1 H1A 109.5 . . ?
O1 C7 H7A 105.4 . . ?
O1 C7 H7B 105.4 . . ?
O1 C7 C9 127.5(18) . . ?
H7A C7 H7B 106.0 . . ?
C9 C7 H7A 105.4 . . ?
C9 C7 H7B 105.4 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
O15 N79 O21 120.0(6) . . ?
O15 N79 O43 120.2(6) . . ?
O21 N79 O43 119.6(6) . . ?
O23 N157 O220 121.9(8) . . ?
O121 N157 O23 124.8(8) . . ?
O121 N157 O220 108.3(9) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy6 O4 C199 C204 -157.7(6) . . . . ?
Dy6 O4 C199 C210 21.8(7) . . . . ?
Dy6 O29 C44 C135 -113.2(6) . . . . ?
Dy6 O37 N73 O42 2.4(4) . . . . ?
Dy6 O37 N73 O48 -176.3(4) . . . . ?
Dy6 O42 N73 O37 -2.4(4) . . . . ?
Dy6 O42 N73 O48 176.3(4) . . . . ?
Dy6 O54 C213 O28 -7.0(11) . . . . ?
Dy6 O54 C213 C127 176.0(5) . . . . ?
Dy6 O63 C210 C148 154.6(4) . . . . ?
Dy6 O63 C210 C199 -24.1(7) . . . . ?
Co5 O28 C213 O54 16.8(9) . . . . ?
Co5 O28 C213 C127 -166.1(4) . . . . ?
Co5 O30 C138 N81 -170.6(5) . . . . ?
Co5 O30 C138 C151 11.1(7) . . . . ?
Co5 O63 C210 C148 -82.8(6) 2 . . . ?
Co5 O63 C210 C148 38.8(7) . . . . ?
Co5 O63 C210 C199 -139.8(4) . . . . ?
Co5 O63 C210 C199 98.6(5) 2 . . . ?
Co5 N129 C151 C138 -10.6(6) . . . . ?
Co5 N129 C151 C139 170.7(7) . . . . ?
Co5 N129 C155 C148 -1.6(8) . . . . ?
O4 C199 C204 C183 -177.4(7) . . . . ?
O4 C199 C210 O63 -0.1(8) . . . . ?
O4 C199 C210 C148 -178.8(5) . . . . ?
O30 C138 C151 N129 -0.7(9) . . . . ?
O30 C138 C151 C139 178.3(6) . . . . ?
N27 N81 C66 C32 18.5(8) . . . . ?
N27 N81 C66 C40 -163.5(6) . . . . ?
N27 N81 C138 O30 -175.7(6) . . . . ?
N27 N81 C138 C151 2.9(7) . . . . ?
N27 C139 C151 N129 176.2(7) . . . . ?
N27 C139 C151 C138 -2.5(7) . . . . ?
N81 N27 C139 C4AA -174.7(6) . . . . ?
N81 N27 C139 C151 4.3(8) . . . . ?
N81 C138 C151 N129 -179.3(5) . . . . ?
N81 C138 C151 C139 -0.3(7) . . . . ?
C4AA C139 C151 N129 -4.9(13) . . . . ?
C4AA C139 C151 C138 176.4(7) . . . . ?
C17 N27 N81 C66 64.1(8) . . . . ?
C17 N27 N81 C138 -142.4(6) . . . . ?
C17 N27 C139 C4AA -40.1(10) . . . . ?
C17 N27 C139 C151 138.9(6) . . . . ?
C47 C127 C213 O28 53.2(8) . . . . ?
C47 C127 C213 O54 -129.5(6) . . . . ?
C55 C29 C59 C40 0.8(9) . . . . ?
C55 C32 C66 N81 179.4(5) . . . . ?
C55 C32 C66 C40 1.5(9) . . . . ?
C59 C29 C55 C32 1.6(9) . . . . ?
C59 C40 C66 N81 -177.1(5) . . . . ?
C59 C40 C66 C32 0.9(9) . . . . ?
C63 C148 C155 N129 160.7(6) . . . . ?
C63 C148 C210 O63 176.6(6) . . . . ?
C63 C148 C210 C199 -4.7(9) . . . . ?
C63 C183 C204 C199 -2.7(12) . . . . ?
C66 N81 C138 O30 -23.8(10) . . . . ?
C66 N81 C138 C151 154.8(6) . . . . ?
C66 C32 C55 C29 -2.7(9) . . . . ?
C66 C40 C59 C29 -2.0(9) . . . . ?
C133 O4 C199 C204 6.6(9) . . . . ?
C133 O4 C199 C210 -173.8(5) . . . . ?
C138 N81 C66 C32 -130.2(6) . . . . ?
C138 N81 C66 C40 47.7(9) . . . . ?
C139 N27 N81 C66 -158.0(6) . . . . ?
C139 N27 N81 C138 -4.5(7) . . . . ?
C148 C63 C183 C204 -1.5(12) . . . . ?
C151 N129 C155 C148 -174.7(5) . . . . ?
C155 N129 C151 C138 163.3(5) . . . . ?
C155 N129 C151 C139 -15.3(11) . . . . ?
C155 C148 C210 O63 -5.6(9) . . . . ?
C155 C148 C210 C199 173.0(6) . . . . ?
C172 C127 C213 O28 174.3(6) . . . . ?
C172 C127 C213 O54 -8.4(10) . . . . ?
C183 C63 C148 C155 -172.8(6) . . . . ?
C183 C63 C148 C210 5.2(10) . . . . ?
C185 C127 C213 O28 -66.2(7) . . . . ?
C185 C127 C213 O54 111.1(7) . . . . ?
C204 C199 C210 O63 179.4(6) . . . . ?
C204 C199 C210 C148 0.7(10) . . . . ?
C210 C148 C155 N129 -17.1(9) . . . . ?
C210 C199 C204 C183 3.0(11) . . . . ?
Dy2 O12 N35 O72 -4.4(5) . . . . ?
Dy2 O12 N35 O78 175.2(5) . . . . ?
Dy2 O19 C194 C159 -161.5(5) . . . . ?
Dy2 O19 C194 C192 17.2(6) . . . . ?
Dy2 O22 C208 C78 -138.1(6) . . . . ?
Dy2 O51 C192 C84 154.5(4) . . . . ?
Dy2 O51 C192 C194 -25.2(6) . . . . ?
Dy2 O72 N35 O12 4.3(5) . . . . ?
Dy2 O72 N35 O78 -175.3(5) . . . . ?
Dy2 O79 C188 O93 -15.2(9) . . . . ?
Dy2 O79 C188 C94 167.0(4) . . . . ?
Co1 O51 C192 C84 37.1(6) . . . . ?
Co1 O51 C192 C84 -83.3(6) 2_655 . . . ?
Co1 O51 C192 C194 96.9(5) 2_655 . . . ?
Co1 O51 C192 C194 -142.6(4) . . . . ?
Co1 O90 C99 N3 -171.7(5) . . . . ?
Co1 O90 C99 C65 9.8(7) . . . . ?
Co1 O93 C188 O79 19.6(8) . . . . ?
Co1 O93 C188 C94 -162.6(4) . . . . ?
Co1 N72 C65 C99 -8.0(5) . . . . ?
Co1 N72 C65 C109 172.0(6) . . . . ?
Co1 N72 C89 C84 -0.8(8) . . . . ?
O51 C192 C194 O19 3.2(7) . . . . ?
O51 C192 C194 C159 -178.1(5) . . . . ?
N3 N5 C109 C41 -174.6(6) . . . . ?
N3 N5 C109 C65 3.9(7) . . . . ?
N3 C2AA C3AA C97 -176.9(5) . . . . ?
N5 N3 C2AA C0AA -158.8(5) . . . . ?
N5 N3 C2AA C3AA 21.0(8) . . . . ?
N5 N3 C99 O90 -176.0(5) . . . . ?
N5 N3 C99 C65 2.7(6) . . . . ?
N72 C65 C99 O90 -1.6(8) . . . . ?
N72 C65 C99 N3 179.7(4) . . . . ?
N72 C65 C109 N5 177.8(6) . . . . ?
N72 C65 C109 C41 -3.9(13) . . . . ?
C0AA C2AA C3AA C97 2.9(9) . . . . ?
C1 C84 C89 N72 161.8(5) . . . . ?
C1 C84 C192 O51 176.2(5) . . . . ?
C1 C84 C192 C194 -4.0(8) . . . . ?
C1 C124 C159 C194 -0.9(10) . . . . ?
C2AA N3 N5 C28 54.7(8) . . . . ?
C2AA N3 N5 C109 -166.7(5) . . . . ?
C2AA N3 C99 O90 -14.5(9) . . . . ?
C2AA N3 C99 C65 164.2(5) . . . . ?
C2AA C0AA C20 C1AA -3.0(9) . . . . ?
C2AA C3AA C97 C1AA -2.9(9) . . . . ?
C20 C0AA C2AA N3 179.9(5) . . . . ?
C20 C0AA C2AA C3AA 0.0(9) . . . . ?
C20 C1AA C97 C3AA -0.1(9) . . . . ?
C28 N5 C109 C41 -38.5(9) . . . . ?
C28 N5 C109 C65 140.0(6) . . . . ?
C65 N72 C89 C84 -176.2(5) . . . . ?
C84 C1 C124 C159 -1.1(10) . . . . ?
C84 C192 C194 O19 -176.6(5) . . . . ?
C84 C192 C194 C159 2.2(9) . . . . ?
C89 N72 C65 C99 168.0(5) . . . . ?
C89 N72 C65 C109 -12.0(10) . . . . ?
C89 C84 C192 O51 -6.4(9) . . . . ?
C89 C84 C192 C194 173.3(5) . . . . ?
C91 C94 C188 O79 -160.2(5) . . . . ?
C91 C94 C188 O93 21.8(7) . . . . ?
C97 C1AA C20 C0AA 3.0(10) . . . . ?
C99 N3 N5 C28 -142.7(5) . . . . ?
C99 N3 N5 C109 -4.1(7) . . . . ?
C99 N3 C2AA C0AA 41.8(8) . . . . ?
C99 N3 C2AA C3AA -138.4(6) . . . . ?
C99 C65 C109 N5 -2.3(7) . . . . ?
C99 C65 C109 C41 176.0(7) . . . . ?
C108 O19 C194 C159 -1.7(8) . . . . ?
C108 O19 C194 C192 177.1(5) . . . . ?
C109 C65 C99 O90 178.4(6) . . . . ?
C109 C65 C99 N3 -0.3(6) . . . . ?
C124 C1 C84 C89 -174.1(6) . . . . ?
C124 C1 C84 C192 3.6(9) . . . . ?
C124 C159 C194 O19 179.0(6) . . . . ?
C124 C159 C194 C192 0.3(10) . . . . ?
C149 C94 C188 O79 -39.3(7) . . . . ?
C149 C94 C188 O93 142.7(6) . . . . ?
C154 C94 C188 O79 78.8(7) . . . . ?
C154 C94 C188 O93 -99.2(6) . . . . ?
C192 C84 C89 N72 -15.6(9) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 0.500 15.8 1.0 ?
2 -0.169 0.314 0.096 157.0 21.9 ?
3 0.169 0.686 0.904 157.0 22.3 ?
4 0.331 0.686 0.596 157.0 22.2 ?
5 0.500 1.000 0.000 15.8 1.0 ?
6 0.669 0.314 0.404 157.0 21.9 ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_9
_database_code_depnum_ccdc_archive 'CCDC 1055924'
_audit_update_record             
;
2015-03-24 deposited with the CCDC.
2015-06-19 downloaded from the CCDC.
;
_audit_creation_date             2015-03-18
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_shelxl_version_number           2014-1
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C116 H160 Co4 Dy4 N12 O34'
_chemical_formula_sum            'C116 H160 Co4 Dy4 N12 O34'
_chemical_formula_weight         3152.27
_chemical_melting_point          ?
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'
Co Co 0.3494 0.9721 '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 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      hexagonal
_space_group_IT_number           175
_space_group_name_H-M_alt        'P 6/m'
_space_group_name_Hall           '-P 6'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x-y, x, z'
'-y, x-y, z'
'-x, -y, z'
'-x+y, -x, z'
'y, -x+y, z'
'-x, -y, -z'
'-x+y, -x, -z'
'y, -x+y, -z'
'x, y, -z'
'x-y, x, -z'
'-y, x-y, -z'

_cell_length_a                   27.6952(19)
_cell_length_b                   27.6952(19)
_cell_length_c                   22.6753(16)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     15062(2)
_cell_formula_units_Z            3
_cell_measurement_reflns_used    ?
_cell_measurement_temperature    100
_cell_measurement_theta_max      ?
_cell_measurement_theta_min      ?
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.841
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.564
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm
;
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.043
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             4752
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.03
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0537
_diffrn_reflns_av_unetI/netI     0.0238
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            103612
_diffrn_reflns_point_group_measured_fraction_full 0.985
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.373
_diffrn_reflns_theta_min         2.701
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_source                   ?
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8189
_reflns_number_total             10422
_reflns_special_details          
;
 Data were apparently pre-merged, so _diffrn_reflns_number
 etc. will have to be added later.
 
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.897
_refine_diff_density_min         -0.359
_refine_diff_density_rms         0.076
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     392
_refine_ls_number_reflns         10422
_refine_ls_number_restraints     878
_refine_ls_R_factor_all          0.0469
_refine_ls_R_factor_gt           0.0378
_refine_ls_restrained_S_all      1.045
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0710P)²+2.1600P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1073
_refine_ls_wR_factor_ref         0.1118
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All O(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid bond restraints
 C4, Dy1, O1, O0AA, O22, O12, O1AA, O5, O2AA, Co3, C10, C18, C7AA, C1AA, C16,
 C14, O3AA, O6, N7, C3AA, C25, C36, C1, C23, C30, C17, C4AA, C2AA, C15, C37,
 C11, C12, C28, C34, C0AA, C63, N9, C32, N19, C33, C6AA, C9, C24, C5AA, C7, C8
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
3. Uiso/Uaniso restraints and constraints
C4 \\sim Dy1 \\sim O1 \\sim O0AA \\sim O22 \\sim O12 \\sim O1AA \\sim O5 \\sim
O2AA \\sim Co3 \\sim C10 \\sim C18 \\sim C7AA \\sim C1AA \\sim C16 \\sim C14
\\sim O3AA \\sim O6 \\sim N7 \\sim C3AA \\sim C25 \\sim C36 \\sim C1 \\sim C23
\\sim C30 \\sim C17 \\sim C4AA \\sim C2AA \\sim C15 \\sim C37 \\sim C11 \\sim
C12 \\sim C28 \\sim C34 \\sim C0AA \\sim C63 \\sim N9 \\sim C32 \\sim N19 \\sim
C33 \\sim C6AA \\sim C9 \\sim C24 \\sim C5AA \\sim C7 \\sim C8: within 1.7A
with sigma of 0.04 and sigma for terminal atoms of 0.08
4. Rigid body (RIGU) restrains
 C8, Dy1, O1, O0AA, O22, O12, O1AA, O5, O2AA, Co3, C10, C18, C7AA, C1AA, C16,
 C14, O3AA, O6, N7, C3AA, C25, C36, C1, C23, C30, C17, C4AA, C2AA, C15, C37,
 C11, C12, C28, C34, C0AA, C63, N9, C32, N19, C33, C6AA, C9, C24, C5AA, C7, C4
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5.a Ternary CH refined with riding coordinates:
 O1AA(H1AA)
5.b Aromatic/amide H refined with riding coordinates:
 C23(H23), C0AA(H0AA), C63(H63), C17(H17), C7(H7), C4(H4), C8(H8), C5AA(H5AA),
 C24(H24)
5.c Fitted hexagon refined as free rotating group:
 C7(C4,C8,C5AA,C33,C24)
5.d Idealised Me refined as rotating group:
 C2AA(H2AA,H2AB,H2AC), C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C28(H28A,H28B,
 H28C), C34(H34A,H34B,H34C), C37(H37A,H37B,H37C), C9(H9A,H9B,H9C), C11(H11A,
 H11B,H11C), C12(H12A,H12B,H12C), C6AA(H6AA,H6AB,H6AC)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.41833(2) 0.44974(2) 0.09207(2) 0.04940(8) Uani 1 1 d . U . . .
Co3 Co 0.50432(2) 0.44289(2) 0.19719(2) 0.05321(12) Uani 1 1 d . U . . .
C1 C 0.40864(17) 0.43054(18) 0.2981(2) 0.0701(9) Uani 1 1 d . U . . .
O3AA O 0.44933(10) 0.35814(10) 0.19467(13) 0.0704(7) Uani 1 1 d . U . . .
O5 O 0.44221(9) 0.46328(9) 0.19833(11) 0.0527(5) Uani 1 1 d . U . . .
C16 C 0.34912(14) 0.43445(14) 0.22272(17) 0.0594(8) Uani 1 1 d . U . . .
O22 O 0.39209(10) 0.36117(9) 0.12705(13) 0.0703(7) Uani 1 1 d . U . . .
C23 C 0.30602(16) 0.41829(16) 0.2634(2) 0.0714(9) Uani 1 1 d . U . . .
H23 H 0.2711 0.4137 0.2514 0.086 Uiso 1 1 calc R . . . .
C1AA C 0.40131(15) 0.44222(14) 0.23962(18) 0.0589(8) Uani 1 1 d . U . . .
C0AA C 0.3639(2) 0.41418(19) 0.3385(2) 0.0825(11) Uani 1 1 d . U . . .
H0AA H 0.3686 0.4067 0.3784 0.099 Uiso 1 1 calc R . . . .
C63 C 0.31441(18) 0.4090(2) 0.3211(2) 0.0836(11) Uani 1 1 d . U . . .
H63 H 0.2854 0.3989 0.3491 0.100 Uiso 1 1 calc R . . . .
O1 O 0.44978(12) 0.44719(12) 0.0000 0.0532(7) Uani 1 2 d S TU P . .
O2AA O 0.34568(9) 0.44444(10) 0.16409(11) 0.0589(5) Uani 1 1 d . U . . .
O0AA O 0.39217(9) 0.50970(10) 0.04882(11) 0.0585(5) Uani 1 1 d . U . . .
O1AA O 0.50888(8) 0.45739(9) 0.10897(11) 0.0517(5) Uani 1 1 d . U . . .
H1AA H 0.5138 0.4294 0.0858 0.062 Uiso 1 1 calc R . . . .
O6 O 0.57690(10) 0.43751(10) 0.21099(12) 0.0632(6) Uani 1 1 d . U . . .
N7 N 0.49865(13) 0.43543(13) 0.28881(15) 0.0681(8) Uani 1 1 d . U . . .
N9 N 0.62027(15) 0.42577(15) 0.2937(2) 0.0864(10) Uani 1 1 d . U . . .
C10 C 0.38495(18) 0.52560(18) 0.0000 0.0537(10) Uani 1 2 d S TU P . .
C2AA C 0.3811(2) 0.60238(19) 0.0546(2) 0.0875(13) Uani 1 1 d . U . . .
H2AA H 0.3695 0.5785 0.0897 0.131 Uiso 1 1 calc GR . . . .
H2AB H 0.3645 0.6264 0.0556 0.131 Uiso 1 1 calc GR . . . .
H2AC H 0.4218 0.6255 0.0539 0.131 Uiso 1 1 calc GR . . . .
O12 O 0.33212(10) 0.38920(11) 0.04894(12) 0.0660(6) Uani 1 1 d . U . . .
C3AA C 0.3616(2) 0.5665(2) 0.0000 0.0684(13) Uani 1 2 d S TU P . .
C14 C 0.29495(14) 0.44286(18) 0.1455(2) 0.0719(10) Uani 1 1 d . U . . .
H14A H 0.2975 0.4521 0.1034 0.108 Uiso 1 1 calc GR . . . .
H14B H 0.2898 0.4700 0.1683 0.108 Uiso 1 1 calc GR . . . .
H14C H 0.2631 0.4054 0.1520 0.108 Uiso 1 1 calc GR . . . .
C15 C 0.2990(3) 0.5313(3) 0.0000 0.0884(18) Uani 1 2 d S TU P . .
H15A H 0.2828 0.5545 -0.0108 0.133 Uiso 1 1 calc GR . . A -1
H15B H 0.2861 0.5157 0.0394 0.133 Uiso 1 1 calc GR . . A -1
H15C H 0.2873 0.5010 -0.0286 0.133 Uiso 1 1 calc GR . . A -1
C17 C 0.45736(18) 0.42983(17) 0.32120(18) 0.0729(10) Uani 1 1 d . U . . .
H17 H 0.4591 0.4250 0.3625 0.087 Uiso 1 1 calc R . . . .
C18 C 0.40296(17) 0.33753(15) 0.1688(2) 0.0774(11) Uani 1 1 d . U . . .
N19 N 0.6123(2) 0.4250(2) 0.3536(2) 0.1198(15) Uani 1 1 d . U . . .
C4AA C 0.54289(19) 0.43016(19) 0.3103(2) 0.0790(10) Uani 1 1 d . U . . .
C7AA C 0.3093(2) 0.3716(2) 0.0000 0.0607(11) Uani 1 2 d S TU P . .
C25 C 0.35621(19) 0.28044(18) 0.1899(3) 0.1000(15) Uani 1 1 d . U . . .
C28 C 0.2226(2) 0.3108(3) 0.0556(3) 0.148(3) Uani 1 1 d . U . . .
H28A H 0.2450 0.3035 0.0838 0.222 Uiso 1 1 calc GR . . . .
H28B H 0.1854 0.2778 0.0525 0.222 Uiso 1 1 calc GR . . . .
H28C H 0.2194 0.3426 0.0691 0.222 Uiso 1 1 calc GR . . . .
C30 C 0.57967(15) 0.43128(14) 0.2652(2) 0.0668(9) Uani 1 1 d . U . . .
C32 C 0.5628(3) 0.4246(3) 0.3625(3) 0.1176(18) Uani 1 1 d . U . . .
C34 C 0.2598(5) 0.2684(4) 0.0000 0.170(4) Uani 1 2 d S TU P . .
H34A H 0.2293 0.2369 -0.0208 0.255 Uiso 1 1 calc GR . . B -1
H34B H 0.2615 0.2575 0.0407 0.255 Uiso 1 1 calc GR . . B -1
H34C H 0.2951 0.2791 -0.0199 0.255 Uiso 1 1 calc GR . . B -1
C36 C 0.2486(3) 0.3229(3) 0.0000 0.098(2) Uani 1 2 d S TU P . .
C37 C 0.3009(3) 0.2787(3) 0.1860(5) 0.166(3) Uani 1 1 d . U . . .
H37A H 0.2991 0.3027 0.2166 0.249 Uiso 1 1 calc GR . . . .
H37B H 0.2705 0.2403 0.1917 0.249 Uiso 1 1 calc GR . . . .
H37C H 0.2973 0.2920 0.1471 0.249 Uiso 1 1 calc GR . . . .
C7 C 0.72833(14) 0.44009(15) 0.18890(19) 0.128(2) Uani 1 1 d . U . . .
H7 H 0.7304 0.4277 0.1504 0.153 Uiso 1 1 calc R . . . .
C4 C 0.77691(10) 0.47521(15) 0.2196(2) 0.146(2) Uani 1 1 d G U . . .
H4 H 0.8122 0.4868 0.2021 0.175 Uiso 1 1 calc R . . . .
C8 C 0.77382(10) 0.49337(13) 0.2759(2) 0.148(2) Uani 1 1 d G U . . .
H8 H 0.8070 0.5174 0.2969 0.178 Uiso 1 1 calc R . . . .
C5AA C 0.72216(14) 0.47642(14) 0.30147(18) 0.1261(19) Uani 1 1 d G U . . .
H5AA H 0.7201 0.4888 0.3399 0.151 Uiso 1 1 calc R . . . .
C33 C 0.67359(10) 0.44130(13) 0.27076(17) 0.0966(13) Uani 1 1 d G U . . .
C24 C 0.67667(10) 0.42314(12) 0.21448(18) 0.1026(15) Uani 1 1 d G U . . .
H24 H 0.6435 0.3991 0.1935 0.123 Uiso 1 1 calc R . . . .
C9 C 0.6278(3) 0.3876(3) 0.3866(4) 0.149(3) Uani 1 1 d . U . . .
H9A H 0.6002 0.3486 0.3785 0.224 Uiso 1 1 calc GR . . . .
H9B H 0.6287 0.3948 0.4290 0.224 Uiso 1 1 calc GR . . . .
H9C H 0.6647 0.3951 0.3737 0.224 Uiso 1 1 calc GR . . . .
C11 C 0.3671(4) 0.2388(2) 0.1670(7) 0.228(5) Uani 1 1 d . U . . .
H11A H 0.3593 0.2344 0.1246 0.342 Uiso 1 1 calc GR . . . .
H11B H 0.3433 0.2033 0.1871 0.342 Uiso 1 1 calc GR . . . .
H11C H 0.4064 0.2502 0.1737 0.342 Uiso 1 1 calc GR . . . .
C12 C 0.3610(4) 0.2746(4) 0.2558(4) 0.202(4) Uani 1 1 d . U . . .
H12A H 0.3871 0.2611 0.2634 0.304 Uiso 1 1 calc GR . . . .
H12B H 0.3243 0.2479 0.2719 0.304 Uiso 1 1 calc GR . . . .
H12C H 0.3747 0.3109 0.2748 0.304 Uiso 1 1 calc GR . . . .
C6AA C 0.5414(5) 0.4201(6) 0.4245(3) 0.214(6) Uani 1 1 d . U . . .
H6AA H 0.5700 0.4240 0.4526 0.321 Uiso 1 1 calc GR . . . .
H6AB H 0.5077 0.3837 0.4299 0.321 Uiso 1 1 calc GR . . . .
H6AC H 0.5325 0.4498 0.4314 0.321 Uiso 1 1 calc GR . . . .


_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 Dy1 3.9524(4) 4_665 ?
Dy1 Co3 3.4412(5) . ?
Dy1 O5 2.477(2) . ?
Dy1 O22 2.322(2) . ?
Dy1 O1 2.2768(12) . ?
Dy1 O2AA 2.538(2) . ?
Dy1 O0AA 2.334(2) . ?
Dy1 O1AA 2.439(2) . ?
Dy1 O1AA 2.375(2) 4_665 ?
Dy1 O12 2.338(2) . ?
Co3 O3AA 2.063(2) . ?
Co3 O5 2.062(2) . ?
Co3 O5 2.258(2) 4_665 ?
Co3 O1AA 2.032(3) . ?
Co3 O6 2.112(2) . ?
Co3 N7 2.086(4) . ?
C1 C1AA 1.403(6) . ?
C1 C0AA 1.421(6) . ?
C1 C17 1.457(6) . ?
O3AA C18 1.260(5) . ?
O5 Co3 2.258(2) 4_665 ?
O5 C1AA 1.356(4) . ?
C16 C23 1.394(5) . ?
C16 C1AA 1.404(5) . ?
C16 O2AA 1.371(4) . ?
O22 C18 1.270(5) . ?
C23 H23 0.9500 . ?
C23 C63 1.374(6) . ?
C0AA H0AA 0.9500 . ?
C0AA C63 1.365(6) . ?
C63 H63 0.9500 . ?
O1 Dy1 2.2767(12) 10 ?
O2AA C14 1.447(4) . ?
O0AA C10 1.244(3) . ?
O1AA Dy1 2.375(2) 4_665 ?
O1AA H1AA 1.0000 . ?
O6 C30 1.250(5) . ?
N7 C17 1.302(5) . ?
N7 C4AA 1.392(5) . ?
N9 N19 1.374(6) . ?
N9 C30 1.370(5) . ?
N9 C33 1.415(5) . ?
C10 O0AA 1.244(3) 10 ?
C10 C3AA 1.560(6) . ?
C2AA H2AA 0.9800 . ?
C2AA H2AB 0.9800 . ?
C2AA H2AC 0.9800 . ?
C2AA C3AA 1.508(6) . ?
O12 C7AA 1.249(3) . ?
C3AA C2AA 1.508(6) 10 ?
C3AA C15 1.507(8) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C17 H17 0.9500 . ?
C18 C25 1.536(6) . ?
N19 C32 1.380(7) . ?
N19 C9 1.504(7) . ?
C4AA C30 1.431(6) . ?
C4AA C32 1.348(7) . ?
C7AA O12 1.249(3) 10 ?
C7AA C36 1.542(7) . ?
C25 C37 1.511(8) . ?
C25 C11 1.428(9) . ?
C25 C12 1.518(11) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C28 C36 1.406(7) . ?
C32 C6AA 1.505(10) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C34 C36 1.684(13) . ?
C36 C28 1.406(7) 10 ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C7 H7 0.9500 . ?
C7 C4 1.3900 . ?
C7 C24 1.3900 . ?
C4 H4 0.9500 . ?
C4 C8 1.3900 . ?
C8 H8 0.9500 . ?
C8 C5AA 1.3900 . ?
C5AA H5AA 0.9500 . ?
C5AA C33 1.3900 . ?
C33 C24 1.3900 . ?
C24 H24 0.9500 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C6AA H6AA 0.9800 . ?
C6AA H6AB 0.9800 . ?
C6AA H6AC 0.9800 . ?

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
Co3 Dy1 Dy1 57.242(8) . 4_665 ?
O5 Dy1 Dy1 76.61(5) . 4_665 ?
O5 Dy1 Co3 36.37(5) . . ?
O5 Dy1 O2AA 61.76(7) . . ?
O22 Dy1 Dy1 112.80(6) . 4_665 ?
O22 Dy1 Co3 64.20(6) . . ?
O22 Dy1 O5 75.31(9) . . ?
O22 Dy1 O2AA 84.19(9) . . ?
O22 Dy1 O0AA 148.28(8) . . ?
O22 Dy1 O1AA 78.65(8) . . ?
O22 Dy1 O1AA 137.46(9) . 4_665 ?
O22 Dy1 O12 73.58(9) . . ?
O1 Dy1 Dy1 72.60(7) . 4_665 ?
O1 Dy1 Co3 110.32(7) . . ?
O1 Dy1 O5 145.01(9) . . ?
O1 Dy1 O22 101.71(10) . . ?
O1 Dy1 O2AA 153.23(9) . . ?
O1 Dy1 O0AA 84.06(9) . . ?
O1 Dy1 O1AA 92.91(9) . 4_665 ?
O1 Dy1 O1AA 75.76(9) . . ?
O1 Dy1 O12 82.16(10) . . ?
O2AA Dy1 Dy1 129.48(5) . 4_665 ?
O2AA Dy1 Co3 95.83(5) . . ?
O0AA Dy1 Dy1 98.74(6) . 4_665 ?
O0AA Dy1 Co3 143.12(6) . . ?
O0AA Dy1 O5 117.09(8) . . ?
O0AA Dy1 O2AA 78.02(8) . . ?
O0AA Dy1 O1AA 72.22(8) . 4_665 ?
O0AA Dy1 O1AA 132.50(8) . . ?
O0AA Dy1 O12 76.44(9) . . ?
O1AA Dy1 Dy1 35.36(5) 4_665 4_665 ?
O1AA Dy1 Dy1 34.29(5) . 4_665 ?
O1AA Dy1 Co3 35.52(6) . . ?
O1AA Dy1 Co3 73.26(6) 4_665 . ?
O1AA Dy1 O5 70.20(8) 4_665 . ?
O1AA Dy1 O5 69.45(8) . . ?
O1AA Dy1 O2AA 130.91(8) . . ?
O1AA Dy1 O2AA 100.24(8) 4_665 . ?
O1AA Dy1 O1AA 66.52(8) 4_665 . ?
O12 Dy1 Dy1 154.69(7) . 4_665 ?
O12 Dy1 Co3 137.47(6) . . ?
O12 Dy1 O5 127.96(8) . . ?
O12 Dy1 O2AA 74.45(8) . . ?
O12 Dy1 O1AA 139.91(8) . . ?
O12 Dy1 O1AA 148.61(8) . 4_665 ?
O3AA Co3 Dy1 84.61(7) . . ?
O3AA Co3 O5 174.78(9) . 4_665 ?
O3AA Co3 O6 96.38(9) . . ?
O3AA Co3 N7 86.49(12) . . ?
O5 Co3 Dy1 91.04(6) 4_665 . ?
O5 Co3 Dy1 45.44(7) . . ?
O5 Co3 O3AA 93.99(9) . . ?
O5 Co3 O5 80.88(9) . 4_665 ?
O5 Co3 O6 166.27(10) . . ?
O5 Co3 N7 89.02(11) . . ?
O1AA Co3 Dy1 44.23(6) . . ?
O1AA Co3 O3AA 97.77(10) . . ?
O1AA Co3 O5 86.34(9) . . ?
O1AA Co3 O5 81.00(9) . 4_665 ?
O1AA Co3 O6 101.10(10) . . ?
O1AA Co3 N7 173.90(11) . . ?
O6 Co3 Dy1 144.68(8) . . ?
O6 Co3 O5 88.84(8) . 4_665 ?
N7 Co3 Dy1 132.49(9) . . ?
N7 Co3 O5 94.36(11) . 4_665 ?
N7 Co3 O6 82.67(12) . . ?
C1AA C1 C0AA 118.7(4) . . ?
C1AA C1 C17 125.8(4) . . ?
C0AA C1 C17 115.4(4) . . ?
C18 O3AA Co3 122.3(2) . . ?
Co3 O5 Dy1 97.75(8) 4_665 . ?
Co3 O5 Dy1 98.19(9) . . ?
Co3 O5 Co3 99.11(9) . 4_665 ?
C1AA O5 Dy1 120.3(2) . . ?
C1AA O5 Co3 121.5(2) . . ?
C1AA O5 Co3 115.41(19) . 4_665 ?
C23 C16 C1AA 121.3(4) . . ?
O2AA C16 C23 124.9(3) . . ?
O2AA C16 C1AA 113.8(3) . . ?
C18 O22 Dy1 140.3(2) . . ?
C16 C23 H23 120.3 . . ?
C63 C23 C16 119.5(4) . . ?
C63 C23 H23 120.3 . . ?
C1 C1AA C16 118.6(3) . . ?
O5 C1AA C1 124.4(3) . . ?
O5 C1AA C16 116.9(3) . . ?
C1 C0AA H0AA 119.5 . . ?
C63 C0AA C1 121.1(4) . . ?
C63 C0AA H0AA 119.5 . . ?
C23 C63 H63 119.6 . . ?
C0AA C63 C23 120.8(4) . . ?
C0AA C63 H63 119.6 . . ?
Dy1 O1 Dy1 132.96(13) 10 . ?
C16 O2AA Dy1 120.17(19) . . ?
C16 O2AA C14 116.2(3) . . ?
C14 O2AA Dy1 122.9(2) . . ?
C10 O0AA Dy1 142.0(2) . . ?
Dy1 O1AA Dy1 110.35(8) 4_665 . ?
Dy1 O1AA H1AA 112.5 4_665 . ?
Dy1 O1AA H1AA 112.5 . . ?
Co3 O1AA Dy1 100.25(9) . . ?
Co3 O1AA Dy1 107.95(10) . 4_665 ?
Co3 O1AA H1AA 112.5 . . ?
C30 O6 Co3 106.4(2) . . ?
C17 N7 Co3 126.3(3) . . ?
C17 N7 C4AA 123.9(4) . . ?
C4AA N7 Co3 109.4(3) . . ?
N19 N9 C33 120.3(4) . . ?
C30 N9 N19 109.4(4) . . ?
C30 N9 C33 125.7(4) . . ?
O0AA C10 O0AA 125.7(4) . 10 ?
O0AA C10 C3AA 117.1(2) . . ?
O0AA C10 C3AA 117.1(2) 10 . ?
H2AA C2AA H2AB 109.5 . . ?
H2AA C2AA H2AC 109.5 . . ?
H2AB C2AA H2AC 109.5 . . ?
C3AA C2AA H2AA 109.5 . . ?
C3AA C2AA H2AB 109.5 . . ?
C3AA C2AA H2AC 109.5 . . ?
C7AA O12 Dy1 142.0(3) . . ?
C2AA C3AA C10 109.7(3) . . ?
C2AA C3AA C10 109.7(3) 10 . ?
C2AA C3AA C2AA 110.3(5) . 10 ?
C15 C3AA C10 107.0(4) . . ?
C15 C3AA C2AA 110.0(3) . 10 ?
C15 C3AA C2AA 110.0(3) . . ?
O2AA C14 H14A 109.5 . . ?
O2AA C14 H14B 109.5 . . ?
O2AA C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C3AA C15 H15A 109.5 . . ?
C3AA C15 H15B 109.5 . . ?
C3AA C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C1 C17 H17 118.0 . . ?
N7 C17 C1 124.0(4) . . ?
N7 C17 H17 118.0 . . ?
O3AA C18 O22 124.4(3) . . ?
O3AA C18 C25 117.7(4) . . ?
O22 C18 C25 117.9(4) . . ?
N9 N19 C32 107.3(4) . . ?
N9 N19 C9 113.7(5) . . ?
C32 N19 C9 123.1(6) . . ?
N7 C4AA C30 113.7(4) . . ?
C32 C4AA N7 138.6(5) . . ?
C32 C4AA C30 107.6(4) . . ?
O12 C7AA O12 125.3(4) . 10 ?
O12 C7AA C36 117.3(2) 10 . ?
O12 C7AA C36 117.3(2) . . ?
C37 C25 C18 109.5(4) . . ?
C37 C25 C12 101.3(7) . . ?
C11 C25 C18 108.0(5) . . ?
C11 C25 C37 125.1(7) . . ?
C11 C25 C12 101.9(8) . . ?
C12 C25 C18 110.1(5) . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C36 C28 H28A 109.5 . . ?
C36 C28 H28B 109.5 . . ?
C36 C28 H28C 109.5 . . ?
O6 C30 N9 126.1(4) . . ?
O6 C30 C4AA 127.8(3) . . ?
N9 C30 C4AA 106.0(4) . . ?
N19 C32 C6AA 119.1(5) . . ?
C4AA C32 N19 109.3(5) . . ?
C4AA C32 C6AA 131.6(6) . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C36 C34 H34A 109.5 . . ?
C36 C34 H34B 109.5 . . ?
C36 C34 H34C 109.5 . . ?
C7AA C36 C34 100.2(6) . . ?
C28 C36 C7AA 114.4(3) 10 . ?
C28 C36 C7AA 114.4(3) . . ?
C28 C36 C28 127.3(7) 10 . ?
C28 C36 C34 95.0(5) . . ?
C28 C36 C34 95.0(5) 10 . ?
C25 C37 H37A 109.5 . . ?
C25 C37 H37B 109.5 . . ?
C25 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C4 C7 H7 120.0 . . ?
C4 C7 C24 120.0 . . ?
C24 C7 H7 120.0 . . ?
C7 C4 H4 120.0 . . ?
C7 C4 C8 120.0 . . ?
C8 C4 H4 120.0 . . ?
C4 C8 H8 120.0 . . ?
C5AA C8 C4 120.0 . . ?
C5AA C8 H8 120.0 . . ?
C8 C5AA H5AA 120.0 . . ?
C33 C5AA C8 120.0 . . ?
C33 C5AA H5AA 120.0 . . ?
C5AA C33 N9 121.8(3) . . ?
C5AA C33 C24 120.0 . . ?
C24 C33 N9 118.1(3) . . ?
C7 C24 H24 120.0 . . ?
C33 C24 C7 120.0 . . ?
C33 C24 H24 120.0 . . ?
N19 C9 H9A 109.5 . . ?
N19 C9 H9B 109.5 . . ?
N19 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C25 C11 H11A 109.5 . . ?
C25 C11 H11B 109.5 . . ?
C25 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C25 C12 H12A 109.5 . . ?
C25 C12 H12B 109.5 . . ?
C25 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C32 C6AA H6AA 109.5 . . ?
C32 C6AA H6AB 109.5 . . ?
C32 C6AA H6AC 109.5 . . ?
H6AA C6AA H6AB 109.5 . . ?
H6AA C6AA H6AC 109.5 . . ?
H6AB C6AA H6AC 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O5 C1AA C1 157.4(3) . . . . ?
Dy1 O5 C1AA C16 -25.9(4) . . . . ?
Dy1 O22 C18 O3AA -28.3(7) . . . . ?
Dy1 O22 C18 C25 150.6(4) . . . . ?
Dy1 O0AA C10 O0AA -0.8(8) . . . 10 ?
Dy1 O0AA C10 C3AA 175.6(3) . . . . ?
Dy1 O12 C7AA O12 -6.1(9) . . . 10 ?
Dy1 O12 C7AA C36 171.6(4) . . . . ?
Co3 O3AA C18 O22 24.1(6) . . . . ?
Co3 O3AA C18 C25 -154.8(3) . . . . ?
Co3 O5 C1AA C1 -85.9(4) 4_665 . . . ?
Co3 O5 C1AA C1 33.9(4) . . . . ?
Co3 O5 C1AA C16 90.8(3) 4_665 . . . ?
Co3 O5 C1AA C16 -149.4(2) . . . . ?
Co3 O6 C30 N9 179.8(3) . . . . ?
Co3 O6 C30 C4AA -2.3(5) . . . . ?
Co3 N7 C17 C1 -3.1(6) . . . . ?
Co3 N7 C4AA C30 0.1(4) . . . . ?
Co3 N7 C4AA C32 179.3(7) . . . . ?
C1 C0AA C63 C23 1.5(7) . . . . ?
O3AA C18 C25 C37 143.8(6) . . . . ?
O3AA C18 C25 C11 -77.1(9) . . . . ?
O3AA C18 C25 C12 33.4(8) . . . . ?
C16 C23 C63 C0AA -1.6(7) . . . . ?
O22 C18 C25 C37 -35.1(8) . . . . ?
O22 C18 C25 C11 103.9(8) . . . . ?
O22 C18 C25 C12 -145.6(7) . . . . ?
C23 C16 C1AA C1 3.3(5) . . . . ?
C23 C16 C1AA O5 -173.6(3) . . . . ?
C23 C16 O2AA Dy1 -164.7(3) . . . . ?
C23 C16 O2AA C14 6.0(5) . . . . ?
C1AA C1 C0AA C63 0.9(7) . . . . ?
C1AA C1 C17 N7 -6.1(7) . . . . ?
C1AA C16 C23 C63 -0.9(6) . . . . ?
C1AA C16 O2AA Dy1 15.6(4) . . . . ?
C1AA C16 O2AA C14 -173.7(3) . . . . ?
C0AA C1 C1AA O5 173.4(4) . . . . ?
C0AA C1 C1AA C16 -3.3(6) . . . . ?
C0AA C1 C17 N7 169.5(4) . . . . ?
O2AA C16 C23 C63 179.4(4) . . . . ?
O2AA C16 C1AA C1 -177.0(3) . . . . ?
O2AA C16 C1AA O5 6.1(4) . . . . ?
O0AA C10 C3AA C2AA -31.0(6) 10 . . 10 ?
O0AA C10 C3AA C2AA 152.3(4) . . . 10 ?
O0AA C10 C3AA C2AA -152.3(4) 10 . . . ?
O0AA C10 C3AA C2AA 31.0(6) . . . . ?
O0AA C10 C3AA C15 88.3(4) 10 . . . ?
O0AA C10 C3AA C15 -88.3(4) . . . . ?
N7 C4AA C30 O6 1.7(6) . . . . ?
N7 C4AA C30 N9 179.9(3) . . . . ?
N7 C4AA C32 N19 -176.1(6) . . . . ?
N7 C4AA C32 C6AA 1.8(14) . . . . ?
N9 N19 C32 C4AA -5.5(7) . . . . ?
N9 N19 C32 C6AA 176.3(8) . . . . ?
N9 C33 C24 C7 176.3(3) . . . . ?
O12 C7AA C36 C28 11.4(10) . . . . ?
O12 C7AA C36 C28 -170.7(6) 10 . . . ?
O12 C7AA C36 C28 170.7(6) . . . 10 ?
O12 C7AA C36 C28 -11.4(10) 10 . . 10 ?
O12 C7AA C36 C34 88.9(4) 10 . . . ?
O12 C7AA C36 C34 -88.9(4) . . . . ?
C17 C1 C1AA O5 -11.2(6) . . . . ?
C17 C1 C1AA C16 172.2(4) . . . . ?
C17 C1 C0AA C63 -175.0(4) . . . . ?
C17 N7 C4AA C30 172.8(4) . . . . ?
C17 N7 C4AA C32 -8.0(9) . . . . ?
N19 N9 C30 O6 174.4(4) . . . . ?
N19 N9 C30 C4AA -3.9(5) . . . . ?
N19 N9 C33 C5AA -26.5(5) . . . . ?
N19 N9 C33 C24 157.3(4) . . . . ?
C4AA N7 C17 C1 -174.5(4) . . . . ?
C30 N9 N19 C32 5.8(6) . . . . ?
C30 N9 N19 C9 145.4(5) . . . . ?
C30 N9 C33 C5AA 126.7(4) . . . . ?
C30 N9 C33 C24 -49.6(5) . . . . ?
C30 C4AA C32 N19 3.1(7) . . . . ?
C30 C4AA C32 C6AA -178.9(10) . . . . ?
C32 C4AA C30 O6 -177.8(5) . . . . ?
C32 C4AA C30 N9 0.4(5) . . . . ?
C7 C4 C8 C5AA 0.0 . . . . ?
C4 C7 C24 C33 0.0 . . . . ?
C4 C8 C5AA C33 0.0 . . . . ?
C8 C5AA C33 N9 -176.2(3) . . . . ?
C8 C5AA C33 C24 0.0 . . . . ?
C5AA C33 C24 C7 0.0 . . . . ?
C33 N9 N19 C32 162.9(4) . . . . ?
C33 N9 N19 C9 -57.5(6) . . . . ?
C33 N9 C30 O6 18.8(6) . . . . ?
C33 N9 C30 C4AA -159.4(4) . . . . ?
C24 C7 C4 C8 0.0 . . . . ?
C9 N19 C32 C4AA -140.4(7) . . . . ?
C9 N19 C32 C6AA 41.4(12) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.760 -0.367 -0.186 7257.3 282.7 ?
2 0.333 0.667 0.125 7.2 0.0 ?
3 0.333 0.667 0.296 8.1 0.5 ?
4 0.333 0.667 0.704 8.1 0.9 ?
5 0.333 0.667 0.875 7.2 0.0 ?
6 0.667 0.333 0.125 7.2 0.0 ?
7 0.667 0.333 0.296 8.1 0.6 ?
8 0.667 0.333 0.704 8.1 1.0 ?
9 0.667 0.333 0.875 7.2 0.0 ?

_olex2_submission_special_instructions 'No special instructions were received'
