# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
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#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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#  data retrieval see:
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#  from this site to visualise CIF-encoded structures and 
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data_complex1

_audit_creation_method           SHELXL-97
_chemical_name_systematic        ?

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.118 0.250 66 15 ' '
2 0.000 0.882 0.750 66 15 ' '
3 0.029 0.160 0.418 12 1 ' '
4 0.029 0.840 0.918 12 1 ' '
5 0.500 0.382 0.750 66 15 ' '
6 0.500 0.618 0.250 66 15 ' '
7 0.471 0.340 0.581 12 1 ' '
8 0.471 0.660 0.081 12 1 ' '
9 0.529 0.340 0.918 12 1 ' '
10 0.529 0.660 0.418 12 1 ' '
11 0.971 0.160 0.081 12 1 ' '
12 0.971 0.840 0.581 12 1 ' '
_platon_squeeze_details          
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C76 H142 Co5 Gd3 N2 O33, 2(O)'
_chemical_formula_sum            'C76 H142 Co5 Gd3 N2 O35'
_chemical_formula_weight         2410.32

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.1653 3.9035 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'C 2/c'

loop_
_symmetry_equiv_pos_as_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                   14.2172(9)
_cell_length_b                   27.711(2)
_cell_length_c                   25.4221(17)
_cell_angle_alpha                90.00
_cell_angle_beta                 96.1053(19)
_cell_angle_gamma                90.00
_cell_volume                     9958.8(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    110(2)
_cell_measurement_reflns_used    8778
_cell_measurement_theta_min      2.39
_cell_measurement_theta_max      29.50

_exptl_crystal_description       Block
_exptl_crystal_colour            Purple
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.26
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.608
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4876
_exptl_absorpt_coefficient_mu    2.855
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.314
_exptl_absorpt_correction_T_max  0.476
_exptl_absorpt_process_details   multi-scan

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      110(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            8778
_diffrn_reflns_av_R_equivalents  0.0397
_diffrn_reflns_av_sigmaI/netI    0.0137
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         2.17
_diffrn_reflns_theta_max         25.00
_reflns_number_total             8778
_reflns_number_gt                8181
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0794P)²+5.1734P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8778
_refine_ls_number_parameters     504
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0622
_refine_ls_R_factor_gt           0.0588
_refine_ls_wR_factor_ref         0.2100
_refine_ls_wR_factor_gt          0.2075
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_restrained_S_all      1.056
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.7916(6) 0.7055(3) 0.8123(3) 0.044(2) Uani 1 1 d . . .
C2 C 0.8614(13) 0.7440(6) 0.8338(7) 0.112(3) Uani 1 1 d . . .
C3 C 0.9333(11) 0.7486(6) 0.8025(6) 0.112(3) Uani 1 1 d . . .
H3A H 0.9779 0.7219 0.8096 0.169 Uiso 1 1 calc R . .
H3B H 0.9662 0.7793 0.8104 0.169 Uiso 1 1 calc R . .
H3C H 0.9074 0.7480 0.7652 0.169 Uiso 1 1 calc R . .
C4 C 0.9039(11) 0.7323(5) 0.8935(6) 0.112(3) Uani 1 1 d D . .
H4A H 0.9721 0.7264 0.8947 0.169 Uiso 1 1 calc R . .
H4B H 0.8728 0.7036 0.9061 0.169 Uiso 1 1 calc R . .
H4C H 0.8928 0.7599 0.9163 0.169 Uiso 1 1 calc R . .
C5 C 0.8085(11) 0.7908(5) 0.8464(6) 0.112(3) Uani 1 1 d D . .
H5A H 0.7860 0.7879 0.8814 0.169 Uiso 1 1 calc R . .
H5B H 0.7544 0.7956 0.8196 0.169 Uiso 1 1 calc R . .
H5C H 0.8515 0.8184 0.8461 0.169 Uiso 1 1 calc R . .
C6 C 0.7819(6) 0.5671(3) 0.8924(3) 0.0404(19) Uani 1 1 d . . .
C7 C 0.8240(11) 0.5516(7) 0.9460(5) 0.106(3) Uani 1 1 d . . .
C8 C 0.8456(10) 0.4969(6) 0.9391(5) 0.106(3) Uani 1 1 d . . .
H8A H 0.7938 0.4776 0.9506 0.159 Uiso 1 1 calc R . .
H8B H 0.9048 0.4887 0.9606 0.159 Uiso 1 1 calc R . .
H8C H 0.8519 0.4902 0.9018 0.159 Uiso 1 1 calc R . .
C9 C 0.9004(10) 0.5809(6) 0.9658(5) 0.106(3) Uani 1 1 d . . .
H9A H 0.8770 0.6130 0.9738 0.159 Uiso 1 1 calc R . .
H9B H 0.9453 0.5835 0.9393 0.159 Uiso 1 1 calc R . .
H9C H 0.9320 0.5664 0.9982 0.159 Uiso 1 1 calc R . .
C10 C 0.7498(8) 0.5458(5) 0.9840(4) 0.080(4) Uani 1 1 d . . .
H10A H 0.6981 0.5256 0.9677 0.120 Uiso 1 1 calc R . .
H10B H 0.7250 0.5776 0.9923 0.120 Uiso 1 1 calc R . .
H10C H 0.7782 0.5304 1.0166 0.120 Uiso 1 1 calc R . .
C11 C 0.7174(5) 0.5007(2) 0.7672(3) 0.0296(15) Uani 1 1 d . . .
H11A H 0.6879 0.4746 0.7444 0.035 Uiso 1 1 calc R . .
H11B H 0.7162 0.4912 0.8046 0.035 Uiso 1 1 calc R . .
C12 C 0.8188(5) 0.5094(3) 0.7551(3) 0.0338(16) Uani 1 1 d . . .
H12A H 0.8515 0.5312 0.7820 0.041 Uiso 1 1 calc R . .
H12B H 0.8538 0.4785 0.7559 0.041 Uiso 1 1 calc R . .
C13 C 0.8881(5) 0.5718(3) 0.6994(3) 0.0333(17) Uani 1 1 d . . .
H13A H 0.8955 0.5797 0.6621 0.040 Uiso 1 1 calc R . .
H13B H 0.9502 0.5606 0.7164 0.040 Uiso 1 1 calc R . .
C14 C 0.8284(6) 0.4952(3) 0.6603(3) 0.0410(13) Uani 1 1 d . . .
H14A H 0.8111 0.5098 0.6250 0.049 Uiso 1 1 calc R . .
H14B H 0.7838 0.4684 0.6644 0.049 Uiso 1 1 calc R . .
C15 C 0.9317(5) 0.4737(3) 0.6619(3) 0.0410(13) Uani 1 1 d . . .
H15A H 0.9745 0.4981 0.6490 0.049 Uiso 1 1 calc R . .
H15B H 0.9555 0.4653 0.6988 0.049 Uiso 1 1 calc R . .
C16 C 0.9307(7) 0.4294(4) 0.6278(4) 0.062(3) Uani 1 1 d . . .
H16A H 0.8920 0.4356 0.5938 0.074 Uiso 1 1 calc R . .
H16B H 0.9960 0.4221 0.6200 0.074 Uiso 1 1 calc R . .
C17 C 0.8913(12) 0.3867(5) 0.6543(8) 0.122(6) Uani 1 1 d . . .
H17A H 0.9027 0.3905 0.6927 0.183 Uiso 1 1 calc R . .
H17B H 0.9223 0.3572 0.6436 0.183 Uiso 1 1 calc R . .
H17C H 0.8231 0.3844 0.6437 0.183 Uiso 1 1 calc R . .
C18 C 0.5550(5) 0.4963(3) 0.6540(3) 0.0291(15) Uani 1 1 d . . .
C19 C 0.5268(8) 0.4550(4) 0.6159(5) 0.067(2) Uani 1 1 d D . .
C23 C 0.1418(5) 0.6168(3) 0.7726(3) 0.0333(17) Uani 1 1 d . . .
H23A H 0.1102 0.6173 0.7359 0.040 Uiso 1 1 calc R . .
H23B H 0.1214 0.6458 0.7911 0.040 Uiso 1 1 calc R . .
C24 C 0.2663(5) 0.6341(3) 0.8918(3) 0.0254(15) Uani 1 1 d . . .
C25 C 0.2294(6) 0.6398(3) 0.9467(3) 0.0398(19) Uani 1 1 d . . .
C26 C 0.1341(7) 0.6149(4) 0.9451(4) 0.064(3) Uani 1 1 d . . .
H26A H 0.1057 0.6220 0.9777 0.095 Uiso 1 1 calc R . .
H26B H 0.1427 0.5799 0.9420 0.095 Uiso 1 1 calc R . .
H26C H 0.0924 0.6265 0.9146 0.095 Uiso 1 1 calc R . .
C27 C 0.3026(8) 0.6154(4) 0.9886(4) 0.070(3) Uani 1 1 d . . .
H27A H 0.2746 0.6115 1.0219 0.105 Uiso 1 1 calc R . .
H27B H 0.3592 0.6357 0.9945 0.105 Uiso 1 1 calc R . .
H27C H 0.3201 0.5837 0.9756 0.105 Uiso 1 1 calc R . .
C28 C 0.2213(9) 0.6919(4) 0.9605(4) 0.069(3) Uani 1 1 d . . .
H28A H 0.1584 0.7037 0.9470 0.104 Uiso 1 1 calc R . .
H28B H 0.2696 0.7104 0.9445 0.104 Uiso 1 1 calc R . .
H28C H 0.2305 0.6956 0.9990 0.104 Uiso 1 1 calc R . .
C29 C 0.3528(12) 0.8040(4) 0.8076(8) 0.125(4) Uani 1 1 d . . .
C30 C 0.2866(13) 0.8384(5) 0.8322(7) 0.106(3) Uani 1 1 d . . .
C31 C 0.2071(8) 0.8123(5) 0.8504(7) 0.088(4) Uani 1 1 d . . .
H31A H 0.1683 0.8347 0.8687 0.131 Uiso 1 1 calc R . .
H31B H 0.2309 0.7867 0.8748 0.131 Uiso 1 1 calc R . .
H31C H 0.1688 0.7981 0.8200 0.131 Uiso 1 1 calc R . .
C32 C 0.3473(12) 0.8474(5) 0.8909(6) 0.106(3) Uani 1 1 d . . .
H32A H 0.4075 0.8631 0.8862 0.159 Uiso 1 1 calc R . .
H32B H 0.3596 0.8163 0.9087 0.159 Uiso 1 1 calc R . .
H32C H 0.3106 0.8680 0.9124 0.159 Uiso 1 1 calc R . .
C33 C 0.2786(12) 0.8842(5) 0.8069(6) 0.106(3) Uani 1 1 d . . .
H33A H 0.2348 0.8818 0.7746 0.159 Uiso 1 1 calc R . .
H33B H 0.3409 0.8944 0.7979 0.159 Uiso 1 1 calc R . .
H33C H 0.2547 0.9078 0.8309 0.159 Uiso 1 1 calc R . .
C34 C 0.5529(7) 0.7262(3) 0.8797(4) 0.049(2) Uani 1 1 d . . .
C35 C 0.5695(8) 0.7313(4) 0.9386(4) 0.061(3) Uani 1 1 d . . .
C36 C 0.4791(10) 0.7218(6) 0.9625(5) 0.097(5) Uani 1 1 d . . .
H36A H 0.4542 0.6901 0.9509 0.145 Uiso 1 1 calc R . .
H36B H 0.4327 0.7468 0.9510 0.145 Uiso 1 1 calc R . .
H36C H 0.4915 0.7222 1.0012 0.145 Uiso 1 1 calc R . .
C37 C 0.6546(10) 0.7011(6) 0.9599(5) 0.102(5) Uani 1 1 d . . .
H37A H 0.6366 0.6669 0.9598 0.152 Uiso 1 1 calc R . .
H37B H 0.6759 0.7112 0.9962 0.152 Uiso 1 1 calc R . .
H37C H 0.7059 0.7057 0.9375 0.152 Uiso 1 1 calc R . .
C38 C 0.5992(11) 0.7863(6) 0.9531(5) 0.103(5) Uani 1 1 d . . .
H38A H 0.6646 0.7918 0.9456 0.154 Uiso 1 1 calc R . .
H38B H 0.5942 0.7920 0.9907 0.154 Uiso 1 1 calc R . .
H38C H 0.5570 0.8084 0.9318 0.154 Uiso 1 1 calc R . .
Co1 Co 0.72346(6) 0.60601(4) 0.80706(4) 0.0271(3) Uani 1 1 d . . .
Co2 Co 0.69603(6) 0.56730(3) 0.68928(3) 0.0188(2) Uani 1 1 d . . .
Co3 Co 0.46960(15) 0.78160(7) 0.72135(8) 0.0349(5) Uani 0.50 1 d P . .
Gd1 Gd 0.5000 0.568587(15) 0.7500 0.01849(18) Uani 1 2 d S . .
Gd2 Gd 0.37253(2) 0.683062(12) 0.792241(13) 0.02631(17) Uani 1 1 d . . .
N1 N 0.8162(4) 0.5319(2) 0.7012(2) 0.0261(12) Uani 1 1 d . . .
O1 O 0.7882(4) 0.6668(2) 0.8362(2) 0.0456(14) Uani 1 1 d . . .
O2 O 0.8331(4) 0.5674(2) 0.8542(2) 0.0427(14) Uani 1 1 d . . .
O3 O 0.6985(4) 0.5810(2) 0.8828(2) 0.0413(13) Uani 1 1 d . . .
O4 O 0.5963(3) 0.63486(17) 0.78286(18) 0.0262(10) Uani 1 1 d . . .
O5 O 0.6674(3) 0.54546(16) 0.75660(17) 0.0223(9) Uani 1 1 d . . .
O6 O 0.5013(3) 0.50828(17) 0.81375(18) 0.0277(10) Uani 1 1 d . . .
O7 O 0.6357(3) 0.51451(16) 0.65068(17) 0.0245(10) Uani 1 1 d . . .
O8 O 0.7306(3) 0.58969(16) 0.62319(17) 0.0241(10) Uani 1 1 d . . .
O9 O 0.4184(3) 0.60378(15) 0.81742(16) 0.0177(9) Uani 1 1 d . . .
O10 O 0.2408(3) 0.61812(17) 0.77131(17) 0.0235(10) Uani 1 1 d . . .
O11 O 0.2917(3) 0.66912(17) 0.86801(19) 0.0295(11) Uani 1 1 d . . .
O12 O 0.2594(5) 0.7161(2) 0.7304(2) 0.0465(14) Uani 1 1 d . . .
O13 O 0.3606(4) 0.76142(19) 0.8216(2) 0.0400(13) Uani 1 1 d . . .
O14 O 0.4072(8) 0.8235(3) 0.7772(5) 0.125(4) Uani 1 1 d . . .
O15 O 0.5000 0.7219(3) 0.7500 0.056(3) Uani 1 2 d S . .
O16 O 0.5070(4) 0.69020(19) 0.8596(2) 0.0420(14) Uani 1 1 d . . .
O17 O 0.5847(5) 0.7583(3) 0.8515(3) 0.065(2) Uani 1 1 d . . .
O18 O 0.5192(5) 0.5965(3) 0.9138(2) 0.066(2) Uani 1 1 d . . .
C20 C 0.4221(8) 0.4490(4) 0.6071(5) 0.067(2) Uani 1 1 d U . .
H20A H 0.3939 0.4776 0.5891 0.101 Uiso 1 1 calc R . .
H20B H 0.3968 0.4451 0.6412 0.101 Uiso 1 1 calc R . .
H20C H 0.4068 0.4204 0.5852 0.101 Uiso 1 1 calc R . .
C21 C 0.5398(18) 0.4125(8) 0.6534(9) 0.184(7) Uani 1 1 d DU . .
H21A H 0.6074 0.4053 0.6610 0.276 Uiso 1 1 calc RD . .
H21B H 0.5069 0.3843 0.6372 0.276 Uiso 1 1 calc R . .
H21C H 0.5136 0.4205 0.6865 0.276 Uiso 1 1 calc R . .
C22 C 0.6050(16) 0.4375(9) 0.5862(10) 0.184(7) Uani 1 1 d DU . .
H22A H 0.6525 0.4630 0.5852 0.276 Uiso 1 1 calc R . .
H22B H 0.5796 0.4290 0.5501 0.276 Uiso 1 1 calc R . .
H22C H 0.6343 0.4090 0.6039 0.276 Uiso 1 1 calc RD . .


_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
C1 O1 1.236(11) . ?
C1 O12 1.275(11) 2_656 ?
C1 C2 1.520(16) . ?
C2 C3 1.37(2) . ?
C2 C5 1.55(2) . ?
C2 C4 1.61(2) . ?
C6 O3 1.247(10) . ?
C6 O2 1.274(10) . ?
C6 C7 1.492(14) . ?
C6 Co1 2.485(9) . ?
C7 C9 1.405(19) . ?
C7 C10 1.512(18) . ?
C7 C8 1.56(2) . ?
C11 O5 1.442(8) . ?
C11 C12 1.525(10) . ?
C12 N1 1.502(9) . ?
C13 N1 1.511(9) . ?
C13 C23 1.518(11) 2_656 ?
C14 N1 1.477(10) . ?
C14 C15 1.581(10) . ?
C15 C16 1.503(13) . ?
C16 C17 1.499(19) . ?
C18 O6 1.249(9) 2_656 ?
C18 O7 1.265(8) . ?
C18 C19 1.526(13) . ?
C19 C20 1.491(16) . ?
C19 C22 1.488(17) . ?
C19 C21 1.513(16) . ?
C23 O10 1.412(9) . ?
C23 C13 1.518(11) 2_656 ?
C24 O11 1.219(8) . ?
C24 O8 1.291(8) 2_656 ?
C24 C25 1.549(9) . ?
C25 C28 1.492(13) . ?
C25 C26 1.517(13) . ?
C25 C27 1.562(12) . ?
C29 O13 1.235(12) . ?
C29 O14 1.270(14) . ?
C29 C30 1.520(16) . ?
C30 C33 1.421(18) . ?
C30 C31 1.457(19) . ?
C30 C32 1.66(2) . ?
C34 O17 1.256(11) . ?
C34 O16 1.271(10) . ?
C34 C35 1.496(13) . ?
C35 C36 1.502(15) . ?
C35 C37 1.523(18) . ?
C35 C38 1.612(17) . ?
Co1 O4 2.012(5) . ?
Co1 O1 2.021(6) . ?
Co1 O3 2.112(6) . ?
Co1 O10 2.134(5) 2_656 ?
Co1 O2 2.147(6) . ?
Co1 O5 2.209(5) . ?
Co1 Gd2 3.4730(10) 2_656 ?
Co2 O10 1.898(4) 2_656 ?
Co2 O5 1.900(4) . ?
Co2 O8 1.904(4) . ?
Co2 O9 1.907(4) 2_656 ?
Co2 O7 1.913(4) . ?
Co2 N1 1.966(5) . ?
Co2 Gd1 3.3267(8) . ?
Co2 Gd2 3.3996(9) 2_656 ?
Co3 Co3 1.613(4) 2_656 ?
Co3 O15 1.840(7) . ?
Co3 O17 2.035(7) 2_656 ?
Co3 O14 2.097(9) 2_656 ?
Co3 O14 2.101(9) . ?
Gd1 O6 2.327(5) . ?
Gd1 O6 2.327(5) 2_656 ?
Gd1 O9 2.379(4) . ?
Gd1 O9 2.379(4) 2_656 ?
Gd1 O4 2.388(4) 2_656 ?
Gd1 O4 2.388(5) . ?
Gd1 O5 2.453(4) 2_656 ?
Gd1 O5 2.453(4) . ?
Gd1 Co2 3.3267(8) 2_656 ?
Gd2 O13 2.308(5) . ?
Gd2 O12 2.315(6) . ?
Gd2 O9 2.361(4) . ?
Gd2 O11 2.377(5) . ?
Gd2 O4 2.410(5) 2_656 ?
Gd2 O16 2.436(6) . ?
Gd2 O15 2.452(3) . ?
Gd2 O10 2.611(5) . ?
Gd2 Co2 3.3998(9) 2_656 ?
Gd2 Co1 3.4730(10) 2_656 ?
O4 Gd2 2.410(5) 2_656 ?
O6 C18 1.249(9) 2_656 ?
O8 C24 1.291(8) 2_656 ?
O9 Co2 1.907(4) 2_656 ?
O10 Co2 1.898(4) 2_656 ?
O10 Co1 2.134(5) 2_656 ?
O12 C1 1.275(11) 2_656 ?
O14 Co3 2.097(9) 2_656 ?
O15 Co3 1.840(7) 2_656 ?
O15 Gd2 2.452(3) 2_656 ?
O17 Co3 2.035(7) 2_656 ?

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 C1 O12 124.8(8) . 2_656 ?
O1 C1 C2 119.5(10) . . ?
O12 C1 C2 115.7(11) 2_656 . ?
C3 C2 C1 110.9(12) . . ?
C3 C2 C5 116.9(15) . . ?
C1 C2 C5 110.4(13) . . ?
C3 C2 C4 109.9(16) . . ?
C1 C2 C4 111.3(12) . . ?
C5 C2 C4 96.6(10) . . ?
O3 C6 O2 117.2(7) . . ?
O3 C6 C7 123.2(9) . . ?
O2 C6 C7 119.6(9) . . ?
O3 C6 Co1 58.1(4) . . ?
O2 C6 Co1 59.8(4) . . ?
C7 C6 Co1 170.6(9) . . ?
C9 C7 C6 112.3(11) . . ?
C9 C7 C10 113.4(14) . . ?
C6 C7 C10 112.1(11) . . ?
C9 C7 C8 116.5(15) . . ?
C6 C7 C8 104.0(12) . . ?
C10 C7 C8 97.3(12) . . ?
O5 C11 C12 106.5(6) . . ?
N1 C12 C11 108.5(6) . . ?
N1 C13 C23 111.2(6) . 2_656 ?
N1 C14 C15 114.8(7) . . ?
C16 C15 C14 110.0(7) . . ?
C17 C16 C15 111.5(10) . . ?
O6 C18 O7 125.9(6) 2_656 . ?
O6 C18 C19 118.2(7) 2_656 . ?
O7 C18 C19 115.8(7) . . ?
C20 C19 C22 132.4(14) . . ?
C20 C19 C18 111.6(9) . . ?
C22 C19 C18 114.0(13) . . ?
C20 C19 C21 93.5(13) . . ?
C22 C19 C21 91.1(15) . . ?
C18 C19 C21 100.2(13) . . ?
O10 C23 C13 111.3(6) . 2_656 ?
O11 C24 O8 126.2(6) . 2_656 ?
O11 C24 C25 120.9(6) . . ?
O8 C24 C25 112.9(6) 2_656 . ?
C28 C25 C26 110.8(8) . . ?
C28 C25 C24 110.6(7) . . ?
C26 C25 C24 108.5(7) . . ?
C28 C25 C27 108.7(9) . . ?
C26 C25 C27 110.5(8) . . ?
C24 C25 C27 107.7(7) . . ?
O13 C29 O14 122.7(10) . . ?
O13 C29 C30 121.3(10) . . ?
O14 C29 C30 115.4(10) . . ?
C33 C30 C31 123.9(15) . . ?
C33 C30 C29 113.3(12) . . ?
C31 C30 C29 110.9(12) . . ?
C33 C30 C32 106.3(14) . . ?
C31 C30 C32 97.8(12) . . ?
C29 C30 C32 100.3(14) . . ?
O17 C34 O16 121.8(8) . . ?
O17 C34 C35 118.4(8) . . ?
O16 C34 C35 119.7(9) . . ?
C34 C35 C36 109.7(9) . . ?
C34 C35 C37 109.8(9) . . ?
C36 C35 C37 116.1(11) . . ?
C34 C35 C38 109.1(9) . . ?
C36 C35 C38 106.8(11) . . ?
C37 C35 C38 105.0(11) . . ?
O4 Co1 O1 98.1(2) . . ?
O4 Co1 O3 100.2(2) . . ?
O1 Co1 O3 93.1(2) . . ?
O4 Co1 O10 86.97(19) . 2_656 ?
O1 Co1 O10 93.8(2) . 2_656 ?
O3 Co1 O10 169.3(2) . 2_656 ?
O4 Co1 O2 160.7(2) . . ?
O1 Co1 O2 86.3(2) . . ?
O3 Co1 O2 60.7(2) . . ?
O10 Co1 O2 111.6(2) 2_656 . ?
O4 Co1 O5 82.37(17) . . ?
O1 Co1 O5 165.4(2) . . ?
O3 Co1 O5 101.2(2) . . ?
O10 Co1 O5 71.60(16) 2_656 . ?
O2 Co1 O5 98.1(2) . . ?
O4 Co1 C6 130.2(2) . . ?
O1 Co1 C6 86.8(2) . . ?
O3 Co1 C6 30.1(2) . . ?
O10 Co1 C6 142.4(2) 2_656 . ?
O2 Co1 C6 30.8(3) . . ?
O5 Co1 C6 104.1(2) . . ?
O4 Co1 Gd2 42.50(14) . 2_656 ?
O1 Co1 Gd2 83.27(17) . 2_656 ?
O3 Co1 Gd2 140.66(16) . 2_656 ?
O10 Co1 Gd2 48.61(12) 2_656 2_656 ?
O2 Co1 Gd2 156.57(16) . 2_656 ?
O5 Co1 Gd2 87.43(11) . 2_656 ?
C6 Co1 Gd2 166.0(2) . 2_656 ?
O4 Co1 Gd1 41.06(13) . . ?
O1 Co1 Gd1 139.06(19) . . ?
O3 Co1 Gd1 92.71(15) . . ?
O10 Co1 Gd1 87.44(12) 2_656 . ?
O2 Co1 Gd1 130.94(16) . . ?
O5 Co1 Gd1 43.93(11) . . ?
C6 Co1 Gd1 115.93(19) . . ?
Gd2 Co1 Gd1 67.193(18) 2_656 . ?
O10 Co2 O5 84.00(19) 2_656 . ?
O10 Co2 O8 94.13(19) 2_656 . ?
O5 Co2 O8 177.34(19) . . ?
O10 Co2 O9 90.28(19) 2_656 2_656 ?
O5 Co2 O9 89.24(18) . 2_656 ?
O8 Co2 O9 92.66(18) . 2_656 ?
O10 Co2 O7 178.0(2) 2_656 . ?
O5 Co2 O7 95.2(2) . . ?
O8 Co2 O7 86.59(19) . . ?
O9 Co2 O7 91.58(19) 2_656 . ?
O10 Co2 N1 86.3(2) 2_656 . ?
O5 Co2 N1 88.2(2) . . ?
O8 Co2 N1 89.8(2) . . ?
O9 Co2 N1 175.9(2) 2_656 . ?
O7 Co2 N1 91.8(2) . . ?
O10 Co2 Gd1 96.87(14) 2_656 . ?
O5 Co2 Gd1 46.76(13) . . ?
O8 Co2 Gd1 135.54(14) . . ?
O9 Co2 Gd1 44.54(12) 2_656 . ?
O7 Co2 Gd1 83.91(14) . . ?
N1 Co2 Gd1 133.73(17) . . ?
O10 Co2 Gd2 49.71(14) 2_656 2_656 ?
O5 Co2 Gd2 94.82(14) . 2_656 ?
O8 Co2 Gd2 85.37(14) . 2_656 ?
O9 Co2 Gd2 42.09(13) 2_656 2_656 ?
O7 Co2 Gd2 132.28(14) . 2_656 ?
N1 Co2 Gd2 135.02(18) . 2_656 ?
Gd1 Co2 Gd2 70.069(19) . 2_656 ?
Co3 Co3 O15 64.01(13) 2_656 . ?
Co3 Co3 O17 159.6(2) 2_656 2_656 ?
O15 Co3 O17 97.2(2) . 2_656 ?
Co3 Co3 O14 67.5(4) 2_656 2_656 ?
O15 Co3 O14 109.2(4) . 2_656 ?
O17 Co3 O14 115.3(4) 2_656 2_656 ?
Co3 Co3 O14 67.3(4) 2_656 . ?
O15 Co3 O14 109.1(3) . . ?
O17 Co3 O14 130.1(5) 2_656 . ?
O14 Co3 O14 95.4(4) 2_656 . ?
O6 Gd1 O6 88.2(2) . 2_656 ?
O6 Gd1 O9 76.17(15) . . ?
O6 Gd1 O9 145.91(15) 2_656 . ?
O6 Gd1 O9 145.90(15) . 2_656 ?
O6 Gd1 O9 76.16(15) 2_656 2_656 ?
O9 Gd1 O9 131.6(2) . 2_656 ?
O6 Gd1 O4 139.27(16) . 2_656 ?
O6 Gd1 O4 110.30(16) 2_656 2_656 ?
O9 Gd1 O4 68.36(15) . 2_656 ?
O9 Gd1 O4 74.81(15) 2_656 2_656 ?
O6 Gd1 O4 110.30(16) . . ?
O6 Gd1 O4 139.28(16) 2_656 . ?
O9 Gd1 O4 74.81(15) . . ?
O9 Gd1 O4 68.37(15) 2_656 . ?
O4 Gd1 O4 79.5(2) 2_656 . ?
O6 Gd1 O5 78.21(15) . 2_656 ?
O6 Gd1 O5 80.16(15) 2_656 2_656 ?
O9 Gd1 O5 67.19(14) . 2_656 ?
O9 Gd1 O5 127.00(14) 2_656 2_656 ?
O4 Gd1 O5 70.18(15) 2_656 2_656 ?
O4 Gd1 O5 137.80(15) . 2_656 ?
O6 Gd1 O5 80.16(15) . . ?
O6 Gd1 O5 78.21(15) 2_656 . ?
O9 Gd1 O5 127.00(14) . . ?
O9 Gd1 O5 67.19(14) 2_656 . ?
O4 Gd1 O5 137.80(15) 2_656 . ?
O4 Gd1 O5 70.18(15) . . ?
O5 Gd1 O5 149.7(2) 2_656 . ?
O6 Gd1 Co2 111.76(11) . . ?
O6 Gd1 Co2 67.29(11) 2_656 . ?
O9 Gd1 Co2 146.68(10) . . ?
O9 Gd1 Co2 34.22(10) 2_656 . ?
O4 Gd1 Co2 108.87(11) 2_656 . ?
O4 Gd1 Co2 72.13(11) . . ?
O5 Gd1 Co2 145.09(10) 2_656 . ?
O5 Gd1 Co2 34.35(10) . . ?
O6 Gd1 Co2 67.29(11) . 2_656 ?
O6 Gd1 Co2 111.75(11) 2_656 2_656 ?
O9 Gd1 Co2 34.22(10) . 2_656 ?
O9 Gd1 Co2 146.69(10) 2_656 2_656 ?
O4 Gd1 Co2 72.13(11) 2_656 2_656 ?
O4 Gd1 Co2 108.87(11) . 2_656 ?
O5 Gd1 Co2 34.35(10) 2_656 2_656 ?
O5 Gd1 Co2 145.09(10) . 2_656 ?
Co2 Gd1 Co2 178.77(3) . 2_656 ?
O6 Gd1 Co1 89.12(12) . . ?
O6 Gd1 Co1 116.12(11) 2_656 . ?
O9 Gd1 Co1 94.05(10) . . ?
O9 Gd1 Co1 71.75(10) 2_656 . ?
O4 Gd1 Co1 112.20(11) 2_656 . ?
O4 Gd1 Co1 33.61(11) . . ?
O5 Gd1 Co1 159.29(10) 2_656 . ?
O5 Gd1 Co1 38.66(11) . . ?
Co2 Gd1 Co1 55.12(2) . . ?
Co2 Gd1 Co1 125.32(2) 2_656 . ?
O6 Gd1 Co1 116.12(11) . 2_656 ?
O6 Gd1 Co1 89.12(12) 2_656 2_656 ?
O9 Gd1 Co1 71.75(10) . 2_656 ?
O9 Gd1 Co1 94.05(10) 2_656 2_656 ?
O4 Gd1 Co1 33.61(11) 2_656 2_656 ?
O4 Gd1 Co1 112.20(11) . 2_656 ?
O5 Gd1 Co1 38.66(10) 2_656 2_656 ?
O5 Gd1 Co1 159.29(10) . 2_656 ?
Co2 Gd1 Co1 125.32(2) . 2_656 ?
Co2 Gd1 Co1 55.12(2) 2_656 2_656 ?
Co1 Gd1 Co1 145.59(3) . 2_656 ?
O13 Gd2 O12 77.1(2) . . ?
O13 Gd2 O9 144.65(18) . . ?
O12 Gd2 O9 134.78(17) . . ?
O13 Gd2 O11 80.36(18) . . ?
O12 Gd2 O11 104.7(2) . . ?
O9 Gd2 O11 76.85(15) . . ?
O13 Gd2 O4 143.48(17) . 2_656 ?
O12 Gd2 O4 81.62(18) . 2_656 ?
O9 Gd2 O4 68.30(14) . 2_656 ?
O11 Gd2 O4 134.22(16) . 2_656 ?
O13 Gd2 O16 77.03(19) . . ?
O12 Gd2 O16 151.89(19) . . ?
O9 Gd2 O16 73.22(16) . . ?
O11 Gd2 O16 81.64(19) . . ?
O4 Gd2 O16 113.92(17) 2_656 . ?
O13 Gd2 O15 79.1(2) . . ?
O12 Gd2 O15 91.20(17) . . ?
O9 Gd2 O15 109.38(18) . . ?
O11 Gd2 O15 150.44(14) . . ?
O4 Gd2 O15 71.92(17) 2_656 . ?
O16 Gd2 O15 73.19(15) . . ?
O13 Gd2 O10 129.69(17) . . ?
O12 Gd2 O10 72.74(18) . . ?
O9 Gd2 O10 65.49(14) . . ?
O11 Gd2 O10 69.82(15) . . ?
O4 Gd2 O10 69.19(15) 2_656 . ?
O16 Gd2 O10 133.76(17) . . ?
O15 Gd2 O10 139.56(14) . . ?
O13 Gd2 Co2 144.20(13) . 2_656 ?
O12 Gd2 Co2 106.18(15) . 2_656 ?
O9 Gd2 Co2 32.80(10) . 2_656 ?
O11 Gd2 Co2 64.17(12) . 2_656 ?
O4 Gd2 Co2 70.49(11) 2_656 2_656 ?
O16 Gd2 Co2 101.23(14) . 2_656 ?
O15 Gd2 Co2 135.33(16) . 2_656 ?
O10 Gd2 Co2 33.67(9) . 2_656 ?
O13 Gd2 Co1 140.95(15) . 2_656 ?
O12 Gd2 Co1 63.82(14) . 2_656 ?
O9 Gd2 Co1 72.59(10) . 2_656 ?
O11 Gd2 Co1 107.61(12) . 2_656 ?
O4 Gd2 Co1 34.35(11) 2_656 2_656 ?
O16 Gd2 Co1 141.21(12) . 2_656 ?
O15 Gd2 Co1 101.73(10) . 2_656 ?
O10 Gd2 Co1 37.83(10) . 2_656 ?
Co2 Gd2 Co1 54.84(2) 2_656 2_656 ?
O13 Gd2 Gd1 156.27(14) . . ?
O12 Gd2 Gd1 116.67(15) . . ?
O9 Gd2 Gd1 35.58(10) . . ?
O11 Gd2 Gd1 111.93(12) . . ?
O4 Gd2 Gd1 36.20(10) 2_656 . ?
O16 Gd2 Gd1 84.59(12) . . ?
O15 Gd2 Gd1 81.28(16) . . ?
O10 Gd2 Gd1 74.02(10) . . ?
Co2 Gd2 Gd1 54.078(16) 2_656 . ?
Co1 Gd2 Gd1 56.812(16) 2_656 . ?
C14 N1 C12 111.3(6) . . ?
C14 N1 C13 110.6(6) . . ?
C12 N1 C13 112.3(6) . . ?
C14 N1 Co2 113.6(4) . . ?
C12 N1 Co2 106.5(4) . . ?
C13 N1 Co2 102.1(4) . . ?
C1 O1 Co1 125.7(5) . . ?
C6 O2 Co1 89.4(5) . . ?
C6 O3 Co1 91.8(5) . . ?
Co1 O4 Gd1 105.3(2) . . ?
Co1 O4 Gd2 103.15(19) . 2_656 ?
Gd1 O4 Gd2 107.21(17) . 2_656 ?
C11 O5 Co2 107.1(4) . . ?
C11 O5 Co1 113.9(4) . . ?
Co2 O5 Co1 100.51(19) . . ?
C11 O5 Gd1 133.9(4) . . ?
Co2 O5 Gd1 98.89(17) . . ?
Co1 O5 Gd1 97.41(16) . . ?
C18 O6 Gd1 133.6(4) 2_656 . ?
C18 O7 Co2 129.2(4) . . ?
C24 O8 Co2 126.3(4) 2_656 . ?
Co2 O9 Gd2 105.11(18) 2_656 . ?
Co2 O9 Gd1 101.25(17) 2_656 . ?
Gd2 O9 Gd1 109.15(16) . . ?
C23 O10 Co2 112.6(4) . 2_656 ?
C23 O10 Co1 110.7(4) . 2_656 ?
Co2 O10 Co1 103.3(2) 2_656 2_656 ?
C23 O10 Gd2 135.2(4) . . ?
Co2 O10 Gd2 96.63(17) 2_656 . ?
Co1 O10 Gd2 93.56(16) 2_656 . ?
C24 O11 Gd2 136.6(4) . . ?
C1 O12 Gd2 141.1(5) 2_656 . ?
C29 O13 Gd2 144.5(9) . . ?
C29 O14 Co3 108.4(8) . 2_656 ?
C29 O14 Co3 120.3(8) . . ?
Co3 O14 Co3 45.18(19) 2_656 . ?
Co3 O15 Co3 52.0(2) . 2_656 ?
Co3 O15 Gd2 114.50(14) . . ?
Co3 O15 Gd2 112.02(13) 2_656 . ?
Co3 O15 Gd2 112.02(13) . 2_656 ?
Co3 O15 Gd2 114.50(14) 2_656 2_656 ?
Gd2 O15 Gd2 127.9(3) . 2_656 ?
C34 O16 Gd2 132.7(6) . . ?
C34 O17 Co3 128.3(6) . 2_656 ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.652
_refine_diff_density_min         -1.509
_refine_diff_density_rms         0.191
_database_code_depnum_ccdc_archive 'CCDC 991802'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_complex2

_audit_creation_method           SHELXL-97
_chemical_name_systematic        ?

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.380 0.250 76 4 ' '
2 0.000 0.620 0.750 76 4 ' '
3 0.027 0.340 0.423 13 0 ' '
4 0.027 0.660 0.923 13 0 ' '
5 0.215 0.351 0.061 9 0 ' '
6 0.215 0.649 0.561 9 0 ' '
7 0.285 0.149 0.939 9 0 ' '
8 0.285 0.851 0.439 9 0 ' '
9 0.500 0.120 0.750 76 4 ' '
10 0.500 0.880 0.250 76 4 ' '
11 0.472 0.160 0.577 13 0 ' '
12 0.472 0.840 0.077 12 0 ' '
13 0.527 0.160 0.923 13 0 ' '
14 0.527 0.840 0.423 13 0 ' '
15 0.715 0.149 0.561 9 0 ' '
16 0.715 0.851 0.061 9 0 ' '
17 0.785 0.351 0.439 9 0 ' '
18 0.785 0.649 0.939 9 0 ' '
19 0.972 0.340 0.077 12 0 ' '
20 0.972 0.660 0.577 13 0 ' '
_platon_squeeze_details          
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C74 H136 Co5 Dy3 N2 O33, 2(O), 2(C H3)'
_chemical_formula_sum            'C76 H142 Co5 Dy3 N2 O35'
_chemical_formula_weight         2426.07

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

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'C 2/c'

loop_
_symmetry_equiv_pos_as_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                   14.1684(7)
_cell_length_b                   27.6583(16)
_cell_length_c                   25.4178(13)
_cell_angle_alpha                90.00
_cell_angle_beta                 96.0392(15)
_cell_angle_gamma                90.00
_cell_volume                     9905.3(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    110(2)
_cell_measurement_reflns_used    8721
_cell_measurement_theta_min      2.78
_cell_measurement_theta_max      29.55

_exptl_crystal_description       Block
_exptl_crystal_colour            Purple
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.29
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.627
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4900
_exptl_absorpt_coefficient_mu    3.125
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.291
_exptl_absorpt_correction_T_max  0.404
_exptl_absorpt_process_details   multi-scan

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      110(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            8721
_diffrn_reflns_av_R_equivalents  0.0199
_diffrn_reflns_av_sigmaI/netI    0.0269
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         2.18
_diffrn_reflns_theta_max         25.00
_reflns_number_total             8721
_reflns_number_gt                7648
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0551P)²+4.3761P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8721
_refine_ls_number_parameters     498
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0587
_refine_ls_R_factor_gt           0.0513
_refine_ls_wR_factor_ref         0.1533
_refine_ls_wR_factor_gt          0.1500
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_restrained_S_all      1.103
_refine_ls_shift/su_max          0.044
_refine_ls_shift/su_mean         0.001

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.7878(6) 0.2058(3) 0.3126(3) 0.0345(18) Uani 1 1 d . . .
C2 C 0.8577(11) 0.2438(6) 0.3341(6) 0.113(3) Uani 1 1 d . . .
C3 C 0.9323(10) 0.2472(5) 0.2996(6) 0.113(3) Uani 1 1 d . . .
H3A H 0.9819 0.2691 0.3153 0.169 Uiso 1 1 calc R . .
H3B H 0.9060 0.2598 0.2651 0.169 Uiso 1 1 calc R . .
H3C H 0.9594 0.2151 0.2951 0.169 Uiso 1 1 calc R . .
C4 C 0.8887(10) 0.2380(5) 0.3896(5) 0.113(3) Uani 1 1 d . . .
H4A H 0.9048 0.2040 0.3969 0.169 Uiso 1 1 calc R . .
H4B H 0.8376 0.2478 0.4105 0.169 Uiso 1 1 calc R . .
H4C H 0.9447 0.2582 0.3991 0.169 Uiso 1 1 calc R . .
C5 C 0.8072(10) 0.2933(5) 0.3344(6) 0.113(3) Uani 1 1 d . . .
H5A H 0.7663 0.2941 0.3632 0.169 Uiso 1 1 calc R . .
H5B H 0.7685 0.2982 0.3006 0.169 Uiso 1 1 calc R . .
H5C H 0.8547 0.3191 0.3397 0.169 Uiso 1 1 calc R . .
C6 C 0.7819(5) 0.0668(3) 0.3921(3) 0.0347(19) Uani 1 1 d . . .
C7 C 0.8228(8) 0.0500(5) 0.4463(4) 0.0785(18) Uani 1 1 d . . .
C8 C 0.7526(7) 0.0457(4) 0.4845(3) 0.066(3) Uani 1 1 d . . .
H8A H 0.7832 0.0325 0.5178 0.100 Uiso 1 1 calc R . .
H8B H 0.7014 0.0240 0.4703 0.100 Uiso 1 1 calc R . .
H8C H 0.7263 0.0776 0.4910 0.100 Uiso 1 1 calc R . .
C9 C 0.8514(8) -0.0053(5) 0.4398(4) 0.0785(18) Uani 1 1 d . . .
H9A H 0.8939 -0.0082 0.4119 0.118 Uiso 1 1 calc R . .
H9B H 0.7941 -0.0245 0.4302 0.118 Uiso 1 1 calc R . .
H9C H 0.8837 -0.0172 0.4733 0.118 Uiso 1 1 calc R . .
C10 C 0.9087(8) 0.0750(5) 0.4629(4) 0.0785(18) Uani 1 1 d . . .
H10A H 0.8943 0.1087 0.4709 0.118 Uiso 1 1 calc R . .
H10B H 0.9505 0.0740 0.4346 0.118 Uiso 1 1 calc R . .
H10C H 0.9402 0.0594 0.4946 0.118 Uiso 1 1 calc R . .
C11 C 0.4469(5) -0.0044(3) 0.3447(3) 0.0253(16) Uani 1 1 d . . .
C12 C 0.4750(9) -0.0472(6) 0.3797(7) 0.121(3) Uani 1 1 d . . .
C13 C 0.4001(9) -0.0718(6) 0.3990(6) 0.121(3) Uani 1 1 d . . .
H13A H 0.3784 -0.0977 0.3744 0.181 Uiso 1 1 calc R . .
H13B H 0.3478 -0.0493 0.4025 0.181 Uiso 1 1 calc R . .
H13C H 0.4215 -0.0857 0.4337 0.181 Uiso 1 1 calc R . .
C14 C 0.5780(9) -0.0500(6) 0.3907(6) 0.121(3) Uani 1 1 d . . .
H14A H 0.5948 -0.0766 0.4154 0.181 Uiso 1 1 calc R . .
H14B H 0.6023 -0.0195 0.4065 0.181 Uiso 1 1 calc R . .
H14C H 0.6061 -0.0558 0.3577 0.181 Uiso 1 1 calc R . .
C15 C 0.4763(9) -0.0196(5) 0.4436(6) 0.121(3) Uani 1 1 d . . .
H15A H 0.4170 -0.0018 0.4456 0.181 Uiso 1 1 calc R . .
H15B H 0.5301 0.0028 0.4491 0.181 Uiso 1 1 calc R . .
H15C H 0.4826 -0.0447 0.4710 0.181 Uiso 1 1 calc R . .
C16 C 0.2832(5) 0.0004(2) 0.2331(3) 0.0248(16) Uani 1 1 d . . .
H16A H 0.3132 -0.0257 0.2558 0.030 Uiso 1 1 calc R . .
H16B H 0.2838 -0.0093 0.1957 0.030 Uiso 1 1 calc R . .
C17 C 0.1813(5) 0.0089(3) 0.2457(3) 0.0294(17) Uani 1 1 d . . .
H17A H 0.1480 0.0305 0.2189 0.035 Uiso 1 1 calc R . .
H17B H 0.1466 -0.0223 0.2450 0.035 Uiso 1 1 calc R . .
C18 C 0.1113(5) 0.0713(3) 0.3017(3) 0.0285(17) Uani 1 1 d . . .
H18A H 0.1046 0.0790 0.3391 0.034 Uiso 1 1 calc R . .
H18B H 0.0488 0.0602 0.2849 0.034 Uiso 1 1 calc R . .
C19 C 0.1415(5) 0.1165(3) 0.2735(3) 0.0286(17) Uani 1 1 d . . .
H19A H 0.1086 0.1174 0.2372 0.034 Uiso 1 1 calc R . .
H19B H 0.1226 0.1455 0.2926 0.034 Uiso 1 1 calc R . .
C20 C 0.1707(5) -0.0056(3) 0.3400(3) 0.0287(17) Uani 1 1 d . . .
H20A H 0.1895 0.0088 0.3752 0.034 Uiso 1 1 calc R . .
H20B H 0.2143 -0.0329 0.3354 0.034 Uiso 1 1 calc R . .
C21 C 0.0700(5) -0.0256(3) 0.3393(3) 0.0382(19) Uani 1 1 d . . .
H21A H 0.0286 -0.0009 0.3533 0.046 Uiso 1 1 calc R . .
H21B H 0.0443 -0.0330 0.3024 0.046 Uiso 1 1 calc R . .
C22 C 0.0694(7) -0.0713(3) 0.3728(4) 0.051(2) Uani 1 1 d . . .
H22A H 0.1059 -0.0655 0.4076 0.061 Uiso 1 1 calc R . .
H22B H 0.0034 -0.0793 0.3789 0.061 Uiso 1 1 calc R . .
C23 C 0.1127(11) -0.1134(4) 0.3456(7) 0.115(6) Uani 1 1 d . . .
H23A H 0.0758 -0.1195 0.3115 0.172 Uiso 1 1 calc R . .
H23B H 0.1119 -0.1423 0.3679 0.172 Uiso 1 1 calc R . .
H23C H 0.1783 -0.1056 0.3399 0.172 Uiso 1 1 calc R . .
C24 C 0.2667(5) 0.1340(3) 0.3911(3) 0.0254(16) Uani 1 1 d . . .
C25 C 0.2297(6) 0.1411(3) 0.4448(3) 0.039(2) Uani 1 1 d . . .
C26 C 0.3011(8) 0.1164(5) 0.4865(4) 0.089(4) Uani 1 1 d . . .
H26A H 0.2725 0.1132 0.5199 0.133 Uiso 1 1 calc R . .
H26B H 0.3588 0.1360 0.4923 0.133 Uiso 1 1 calc R . .
H26C H 0.3171 0.0842 0.4739 0.133 Uiso 1 1 calc R . .
C27 C 0.1378(9) 0.1156(5) 0.4468(5) 0.088(4) Uani 1 1 d . . .
H27A H 0.1104 0.1247 0.4792 0.132 Uiso 1 1 calc R . .
H27B H 0.1484 0.0806 0.4466 0.132 Uiso 1 1 calc R . .
H27C H 0.0941 0.1247 0.4159 0.132 Uiso 1 1 calc R . .
C28 C 0.2233(10) 0.1929(4) 0.4581(4) 0.078(4) Uani 1 1 d . . .
H28A H 0.1719 0.2079 0.4350 0.118 Uiso 1 1 calc R . .
H28B H 0.2835 0.2089 0.4533 0.118 Uiso 1 1 calc R . .
H28C H 0.2103 0.1962 0.4951 0.118 Uiso 1 1 calc R . .
C29 C 0.5515(6) 0.2247(3) 0.3791(3) 0.041(2) Uani 1 1 d . . .
C30 C 0.5702(7) 0.2289(4) 0.4385(4) 0.063(3) Uani 1 1 d . . .
C31 C 0.4847(10) 0.2220(8) 0.4644(5) 0.155(9) Uani 1 1 d . . .
H31A H 0.4415 0.2492 0.4561 0.232 Uiso 1 1 calc R . .
H31B H 0.5013 0.2203 0.5028 0.232 Uiso 1 1 calc R . .
H31C H 0.4536 0.1919 0.4520 0.232 Uiso 1 1 calc R . .
C32 C 0.6539(11) 0.1981(6) 0.4581(5) 0.122(6) Uani 1 1 d . . .
H32A H 0.6317 0.1668 0.4697 0.183 Uiso 1 1 calc R . .
H32B H 0.6906 0.2143 0.4879 0.183 Uiso 1 1 calc R . .
H32C H 0.6943 0.1933 0.4295 0.183 Uiso 1 1 calc R . .
C33 C 0.6032(12) 0.2834(5) 0.4535(5) 0.120(6) Uani 1 1 d . . .
H33A H 0.6726 0.2853 0.4568 0.180 Uiso 1 1 calc R . .
H33B H 0.5803 0.2926 0.4871 0.180 Uiso 1 1 calc R . .
H33C H 0.5767 0.3055 0.4256 0.180 Uiso 1 1 calc R . .
C34 C 0.3559(11) 0.3027(4) 0.3079(6) 0.109(3) Uani 1 1 d . . .
C35 C 0.2917(8) 0.3366(5) 0.3347(4) 0.0785(18) Uani 1 1 d . . .
C36 C 0.2058(8) 0.3116(5) 0.3490(4) 0.0785(4) Uani 1 1 d . . .
H36A H 0.1794 0.3294 0.3774 0.118 Uiso 1 1 calc R . .
H36B H 0.2226 0.2788 0.3611 0.118 Uiso 1 1 calc R . .
H36C H 0.1586 0.3100 0.3180 0.118 Uiso 1 1 calc R . .
C37 C 0.2870(8) 0.3850(4) 0.3095(4) 0.0785(4) Uani 1 1 d . . .
H37A H 0.2547 0.3825 0.2736 0.118 Uiso 1 1 calc R . .
H37B H 0.3515 0.3973 0.3079 0.118 Uiso 1 1 calc R . .
H37C H 0.2518 0.4072 0.3304 0.118 Uiso 1 1 calc R . .
C38 C 0.3455(13) 0.3448(6) 0.3928(6) 0.148(8) Uani 1 1 d . . .
H38A H 0.3355 0.3782 0.4041 0.222 Uiso 1 1 calc R . .
H38B H 0.4136 0.3390 0.3921 0.222 Uiso 1 1 calc R . .
H38C H 0.3202 0.3224 0.4177 0.222 Uiso 1 1 calc R . .
Co1 Co 0.72313(6) 0.10509(3) 0.30747(3) 0.0218(2) Uani 1 1 d . . .
Co2 Co 0.30450(6) 0.06681(3) 0.31045(3) 0.0159(2) Uani 1 1 d . . .
Co3 Co 0.53253(15) 0.27992(7) 0.27903(8) 0.0331(5) Uani 0.50 1 d P . .
Dy1 Dy 0.5000 0.068455(15) 0.2500 0.01558(14) Uani 1 2 d S . .
Dy2 Dy 0.37378(2) 0.181791(11) 0.291510(12) 0.02199(13) Uani 1 1 d . . .
N1 N 0.1834(4) 0.0312(2) 0.2991(2) 0.0229(13) Uani 1 1 d . . .
O1 O 0.7872(4) 0.1660(2) 0.3368(2) 0.0371(13) Uani 1 1 d . . .
O2 O 0.8345(4) 0.0671(2) 0.35459(19) 0.0369(13) Uani 1 1 d . . .
O3 O 0.6982(3) 0.0801(2) 0.3834(2) 0.0344(13) Uani 1 1 d . . .
O4 O 0.5956(3) 0.13404(16) 0.28236(17) 0.0209(10) Uani 1 1 d . . .
O5 O 0.5022(3) 0.00842(17) 0.31285(18) 0.0234(11) Uani 1 1 d . . .
O6 O 0.3651(3) 0.01377(16) 0.34871(17) 0.0221(10) Uani 1 1 d . . .
O7 O 0.4188(3) 0.10320(15) 0.31686(16) 0.0162(9) Uani 1 1 d . . .
O8 O 0.3333(3) 0.04446(16) 0.24295(16) 0.0198(10) Uani 1 1 d . . .
O9 O 0.2417(3) 0.11713(16) 0.27111(17) 0.0194(10) Uani 1 1 d . . .
O10 O 0.2706(3) 0.08937(16) 0.37660(17) 0.0208(10) Uani 1 1 d . . .
O11 O 0.2922(3) 0.16919(17) 0.36617(18) 0.0253(11) Uani 1 1 d . . .
O12 O 0.5059(4) 0.18860(18) 0.3586(2) 0.0357(13) Uani 1 1 d . . .
O13 O 0.2638(4) 0.21530(19) 0.2291(2) 0.0397(14) Uani 1 1 d . . .
O14 O 0.5000 0.2213(3) 0.2500 0.047(2) Uani 1 2 d S . .
O15 O 0.3607(4) 0.25929(17) 0.3211(2) 0.0337(12) Uani 1 1 d . . .
O16 O 0.5829(4) 0.2572(2) 0.3520(2) 0.0547(17) Uani 1 1 d . . .
O17 O 0.4065(7) 0.3215(2) 0.2768(4) 0.109(3) Uani 1 1 d . . .
O18 O 0.5197(5) 0.0943(3) 0.4138(2) 0.067(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
C1 O13 1.251(9) 2_655 ?
C1 O1 1.262(10) . ?
C1 C2 1.506(13) . ?
C2 C4 1.443(19) . ?
C2 C3 1.445(18) . ?
C2 C5 1.55(2) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 O3 1.240(9) . ?
C6 O2 1.270(9) . ?
C6 C7 1.510(13) . ?
C6 Co1 2.463(8) . ?
C7 C10 1.423(16) . ?
C7 C8 1.467(14) . ?
C7 C9 1.596(17) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 O5 1.236(8) . ?
C11 O6 1.277(8) . ?
C11 C12 1.510(12) . ?
C12 C13 1.391(17) . ?
C12 C14 1.459(17) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 O8 1.420(8) . ?
C16 C17 1.530(10) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 N1 1.488(9) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 N1 1.514(9) . ?
C18 C19 1.524(10) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 O9 1.427(8) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 N1 1.479(9) . ?
C20 C21 1.529(10) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.525(12) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.516(16) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 O11 1.235(8) . ?
C24 O10 1.292(8) . ?
C24 C25 1.525(10) . ?
C25 C28 1.478(13) . ?
C25 C27 1.486(13) . ?
C25 C26 1.547(13) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 O16 1.243(10) . ?
C29 O12 1.273(9) . ?
C29 C30 1.509(12) . ?
C30 C31 1.452(16) . ?
C30 C32 1.501(17) . ?
C30 C33 1.613(17) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 O17 1.237(12) . ?
C34 O15 1.248(11) . ?
C34 C35 1.517(16) . ?
C35 C36 1.478(16) . ?
C35 C37 1.481(16) . ?
C35 C38 1.605(19) . ?
C36 H36A 0.9807 . ?
C36 H36B 0.9807 . ?
C36 H36C 0.9807 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
Co1 O1 2.018(5) . ?
Co1 O4 2.018(4) . ?
Co1 O3 2.114(5) . ?
Co1 O9 2.135(4) 2_655 ?
Co1 O2 2.152(5) . ?
Co1 O8 2.208(4) 2_655 ?
Co1 Dy2 3.4624(10) 2_655 ?
Co1 Dy1 3.4904(9) . ?
Co2 O9 1.882(4) . ?
Co2 O7 1.899(4) . ?
Co2 O10 1.902(4) . ?
Co2 O8 1.908(4) . ?
Co2 O6 1.913(4) . ?
Co2 N1 1.973(5) . ?
Co2 Dy1 3.3062(8) . ?
Co2 Dy2 3.3776(9) . ?
Co3 Co3 1.656(4) 2_655 ?
Co3 O14 1.822(7) . ?
Co3 O16 2.015(7) . ?
Co3 O17 2.082(8) 2_655 ?
Co3 O17 2.119(8) . ?
Dy1 O5 2.302(4) . ?
Dy1 O5 2.302(4) 2_655 ?
Dy1 O7 2.355(4) 2_655 ?
Dy1 O7 2.355(4) . ?
Dy1 O4 2.359(4) 2_655 ?
Dy1 O4 2.359(4) . ?
Dy1 O8 2.442(4) . ?
Dy1 O8 2.442(4) 2_655 ?
Dy1 Co2 3.3062(8) 2_655 ?
Dy1 Co1 3.4903(9) 2_655 ?
Dy2 O15 2.286(5) . ?
Dy2 O13 2.298(5) . ?
Dy2 O7 2.337(4) . ?
Dy2 O11 2.350(5) . ?
Dy2 O4 2.373(4) 2_655 ?
Dy2 O12 2.403(5) . ?
Dy2 O14 2.429(3) . ?
Dy2 O9 2.601(4) . ?
Dy2 Co1 3.4624(10) 2_655 ?
O4 Dy2 2.373(4) 2_655 ?
O8 Co1 2.208(4) 2_655 ?
O9 Co1 2.135(4) 2_655 ?
O13 C1 1.251(9) 2_655 ?
O14 Co3 1.822(7) 2_655 ?
O14 Dy2 2.429(3) 2_655 ?
O17 Co3 2.082(8) 2_655 ?

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
O13 C1 O1 124.2(7) 2_655 . ?
O13 C1 C2 117.6(10) 2_655 . ?
O1 C1 C2 118.1(10) . . ?
C4 C2 C3 115.7(14) . . ?
C4 C2 C1 113.4(12) . . ?
C3 C2 C1 108.7(10) . . ?
C4 C2 C5 100.7(12) . . ?
C3 C2 C5 108.3(14) . . ?
C1 C2 C5 109.5(12) . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.4 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C2 C4 H4A 109.4 . . ?
C2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C2 C5 H5A 109.4 . . ?
C2 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C2 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
O3 C6 O2 119.3(7) . . ?
O3 C6 C7 121.5(8) . . ?
O2 C6 C7 119.2(8) . . ?
O3 C6 Co1 59.1(4) . . ?
O2 C6 Co1 60.8(4) . . ?
C7 C6 Co1 172.2(7) . . ?
C10 C7 C8 117.5(11) . . ?
C10 C7 C6 110.9(9) . . ?
C8 C7 C6 114.0(9) . . ?
C10 C7 C9 106.1(10) . . ?
C8 C7 C9 100.7(10) . . ?
C6 C7 C9 106.1(9) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C7 C10 H10C 109.4 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
O5 C11 O6 125.6(6) . . ?
O5 C11 C12 117.7(8) . . ?
O6 C11 C12 116.5(8) . . ?
C13 C12 C14 133.7(10) . . ?
C13 C12 C11 115.3(10) . . ?
C14 C12 C11 110.5(10) . . ?
C13 C12 C15 79.9(12) . . ?
C14 C12 C15 86.2(12) . . ?
C11 C12 C15 100.2(11) . . ?
C12 C13 H13A 109.3 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.4 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.4 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C12 C15 H15A 109.4 . . ?
C12 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O8 C16 C17 107.3(5) . . ?
O8 C16 H16A 110.3 . . ?
C17 C16 H16A 110.3 . . ?
O8 C16 H16B 110.3 . . ?
C17 C16 H16B 110.3 . . ?
H16A C16 H16B 108.5 . . ?
N1 C17 C16 109.0(5) . . ?
N1 C17 H17A 109.9 . . ?
C16 C17 H17A 109.9 . . ?
N1 C17 H17B 109.9 . . ?
C16 C17 H17B 109.9 . . ?
H17A C17 H17B 108.3 . . ?
N1 C18 C19 110.8(6) . . ?
N1 C18 H18A 109.5 . . ?
C19 C18 H18A 109.5 . . ?
N1 C18 H18B 109.5 . . ?
C19 C18 H18B 109.5 . . ?
H18A C18 H18B 108.1 . . ?
O9 C19 C18 111.1(5) . . ?
O9 C19 H19A 109.4 . . ?
C18 C19 H19A 109.4 . . ?
O9 C19 H19B 109.4 . . ?
C18 C19 H19B 109.4 . . ?
H19A C19 H19B 108.0 . . ?
N1 C20 C21 115.1(6) . . ?
N1 C20 H20A 108.5 . . ?
C21 C20 H20A 108.5 . . ?
N1 C20 H20B 108.5 . . ?
C21 C20 H20B 108.5 . . ?
H20A C20 H20B 107.5 . . ?
C22 C21 C20 110.7(7) . . ?
C22 C21 H21A 109.5 . . ?
C20 C21 H21A 109.5 . . ?
C22 C21 H21B 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 108.1 . . ?
C23 C22 C21 110.9(8) . . ?
C23 C22 H22A 109.5 . . ?
C21 C22 H22A 109.4 . . ?
C23 C22 H22B 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 108.0 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.4 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
O11 C24 O10 125.7(6) . . ?
O11 C24 C25 120.3(6) . . ?
O10 C24 C25 114.0(6) . . ?
C28 C25 C27 112.1(9) . . ?
C28 C25 C24 111.4(7) . . ?
C27 C25 C24 110.8(7) . . ?
C28 C25 C26 108.8(9) . . ?
C27 C25 C26 106.2(9) . . ?
C24 C25 C26 107.3(7) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.4 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C25 C28 H28C 109.4 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
O16 C29 O12 122.3(8) . . ?
O16 C29 C30 117.8(8) . . ?
O12 C29 C30 119.9(8) . . ?
C31 C30 C32 116.3(12) . . ?
C31 C30 C29 112.1(9) . . ?
C32 C30 C29 109.8(9) . . ?
C31 C30 C33 104.5(12) . . ?
C32 C30 C33 104.6(11) . . ?
C29 C30 C33 108.8(9) . . ?
C30 C31 H31A 109.4 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.4 . . ?
H32A C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C30 C33 H33A 109.5 . . ?
C30 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C30 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
O17 C34 O15 123.9(9) . . ?
O17 C34 C35 116.3(9) . . ?
O15 C34 C35 119.5(9) . . ?
C36 C35 C37 122.0(11) . . ?
C36 C35 C34 111.6(12) . . ?
C37 C35 C34 111.4(10) . . ?
C36 C35 C38 99.4(9) . . ?
C37 C35 C38 105.4(12) . . ?
C34 C35 C38 104.5(12) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.6 . . ?
H36A C36 H36B 109.4 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.4 . . ?
H36B C36 H36C 109.4 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C35 C37 H37C 109.4 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C35 C38 H38A 109.4 . . ?
C35 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C35 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
O1 Co1 O4 98.0(2) . . ?
O1 Co1 O3 92.7(2) . . ?
O4 Co1 O3 100.85(19) . . ?
O1 Co1 O9 94.30(19) . 2_655 ?
O4 Co1 O9 86.08(18) . 2_655 ?
O3 Co1 O9 169.3(2) . 2_655 ?
O1 Co1 O2 85.8(2) . . ?
O4 Co1 O2 161.7(2) . . ?
O3 Co1 O2 61.01(19) . . ?
O9 Co1 O2 111.55(18) 2_655 . ?
O1 Co1 O8 165.71(19) . 2_655 ?
O4 Co1 O8 81.97(17) . 2_655 ?
O3 Co1 O8 101.32(19) . 2_655 ?
O9 Co1 O8 71.42(16) 2_655 2_655 ?
O2 Co1 O8 98.71(19) . 2_655 ?
O1 Co1 C6 86.5(2) . . ?
O4 Co1 C6 131.0(2) . . ?
O3 Co1 C6 30.2(2) . . ?
O9 Co1 C6 142.5(2) 2_655 . ?
O2 Co1 C6 31.0(2) . . ?
O8 Co1 C6 104.4(2) 2_655 . ?
O1 Co1 Dy2 83.43(15) . 2_655 ?
O4 Co1 Dy2 41.72(13) . 2_655 ?
O3 Co1 Dy2 140.53(14) . 2_655 ?
O9 Co1 Dy2 48.58(12) 2_655 2_655 ?
O2 Co1 Dy2 156.24(15) . 2_655 ?
O8 Co1 Dy2 87.25(11) 2_655 2_655 ?
C6 Co1 Dy2 165.9(2) . 2_655 ?
O1 Co1 Dy1 138.52(16) . . ?
O4 Co1 Dy1 40.64(13) . . ?
O3 Co1 Dy1 93.21(14) . . ?
O9 Co1 Dy1 86.79(11) 2_655 . ?
O2 Co1 Dy1 132.05(15) . . ?
O8 Co1 Dy1 43.96(11) 2_655 . ?
C6 Co1 Dy1 116.67(18) . . ?
Dy2 Co1 Dy1 66.505(17) 2_655 . ?
O9 Co2 O7 90.29(19) . . ?
O9 Co2 O10 94.47(19) . . ?
O7 Co2 O10 92.44(19) . . ?
O9 Co2 O8 84.00(19) . . ?
O7 Co2 O8 89.29(18) . . ?
O10 Co2 O8 177.70(19) . . ?
O9 Co2 O6 177.6(2) . . ?
O7 Co2 O6 91.70(18) . . ?
O10 Co2 O6 86.77(19) . . ?
O8 Co2 O6 94.69(19) . . ?
O9 Co2 N1 86.3(2) . . ?
O7 Co2 N1 176.1(2) . . ?
O10 Co2 N1 89.8(2) . . ?
O8 Co2 N1 88.4(2) . . ?
O6 Co2 N1 91.6(2) . . ?
O9 Co2 Dy1 96.62(13) . . ?
O7 Co2 Dy1 44.27(13) . . ?
O10 Co2 Dy1 135.08(13) . . ?
O8 Co2 Dy1 46.97(13) . . ?
O6 Co2 Dy1 83.90(13) . . ?
N1 Co2 Dy1 134.18(17) . . ?
O9 Co2 Dy2 49.93(13) . . ?
O7 Co2 Dy2 41.87(13) . . ?
O10 Co2 Dy2 85.48(14) . . ?
O8 Co2 Dy2 94.82(13) . . ?
O6 Co2 Dy2 132.30(14) . . ?
N1 Co2 Dy2 135.27(17) . . ?
Dy1 Co2 Dy2 69.545(19) . . ?
Co3 Co3 O14 62.97(13) 2_655 . ?
Co3 Co3 O16 158.4(2) 2_655 . ?
O14 Co3 O16 98.3(2) . . ?
Co3 Co3 O17 68.0(3) 2_655 2_655 ?
O14 Co3 O17 108.7(2) . 2_655 ?
O16 Co3 O17 131.8(4) . 2_655 ?
Co3 Co3 O17 65.6(3) 2_655 . ?
O14 Co3 O17 107.2(3) . . ?
O16 Co3 O17 114.2(3) . . ?
O17 Co3 O17 95.2(4) 2_655 . ?
O5 Dy1 O5 87.7(2) . 2_655 ?
O5 Dy1 O7 145.40(15) . 2_655 ?
O5 Dy1 O7 76.43(15) 2_655 2_655 ?
O5 Dy1 O7 76.43(15) . . ?
O5 Dy1 O7 145.40(15) 2_655 . ?
O7 Dy1 O7 131.8(2) 2_655 . ?
O5 Dy1 O4 139.62(16) . 2_655 ?
O5 Dy1 O4 110.33(16) 2_655 2_655 ?
O7 Dy1 O4 74.97(15) 2_655 2_655 ?
O7 Dy1 O4 68.40(15) . 2_655 ?
O5 Dy1 O4 110.33(16) . . ?
O5 Dy1 O4 139.62(16) 2_655 . ?
O7 Dy1 O4 68.40(15) 2_655 . ?
O7 Dy1 O4 74.97(15) . . ?
O4 Dy1 O4 79.5(2) 2_655 . ?
O5 Dy1 O8 78.30(15) . . ?
O5 Dy1 O8 79.09(15) 2_655 . ?
O7 Dy1 O8 126.87(14) 2_655 . ?
O7 Dy1 O8 67.77(14) . . ?
O4 Dy1 O8 70.61(15) 2_655 . ?
O4 Dy1 O8 138.57(15) . . ?
O5 Dy1 O8 79.09(15) . 2_655 ?
O5 Dy1 O8 78.30(15) 2_655 2_655 ?
O7 Dy1 O8 67.77(14) 2_655 2_655 ?
O7 Dy1 O8 126.87(14) . 2_655 ?
O4 Dy1 O8 138.57(15) 2_655 2_655 ?
O4 Dy1 O8 70.61(15) . 2_655 ?
O8 Dy1 O8 148.5(2) . 2_655 ?
O5 Dy1 Co2 111.21(11) . 2_655 ?
O5 Dy1 Co2 67.56(11) 2_655 2_655 ?
O7 Dy1 Co2 34.26(10) 2_655 2_655 ?
O7 Dy1 Co2 146.90(10) . 2_655 ?
O4 Dy1 Co2 109.07(11) 2_655 2_655 ?
O4 Dy1 Co2 72.21(11) . 2_655 ?
O8 Dy1 Co2 144.43(10) . 2_655 ?
O8 Dy1 Co2 34.83(10) 2_655 2_655 ?
O5 Dy1 Co2 67.56(11) . . ?
O5 Dy1 Co2 111.21(11) 2_655 . ?
O7 Dy1 Co2 146.90(10) 2_655 . ?
O7 Dy1 Co2 34.26(10) . . ?
O4 Dy1 Co2 72.21(11) 2_655 . ?
O4 Dy1 Co2 109.07(11) . . ?
O8 Dy1 Co2 34.83(10) . . ?
O8 Dy1 Co2 144.43(10) 2_655 . ?
Co2 Dy1 Co2 178.42(3) 2_655 . ?
O5 Dy1 Co1 116.44(11) . 2_655 ?
O5 Dy1 Co1 88.48(11) 2_655 2_655 ?
O7 Dy1 Co1 93.97(10) 2_655 2_655 ?
O7 Dy1 Co1 72.18(10) . 2_655 ?
O4 Dy1 Co1 33.86(11) 2_655 2_655 ?
O4 Dy1 Co1 112.58(11) . 2_655 ?
O8 Dy1 Co1 38.89(10) . 2_655 ?
O8 Dy1 Co1 159.42(10) 2_655 2_655 ?
Co2 Dy1 Co1 125.15(2) 2_655 2_655 ?
Co2 Dy1 Co1 55.41(2) . 2_655 ?
O5 Dy1 Co1 88.48(11) . . ?
O5 Dy1 Co1 116.44(11) 2_655 . ?
O7 Dy1 Co1 72.18(10) 2_655 . ?
O7 Dy1 Co1 93.97(10) . . ?
O4 Dy1 Co1 112.58(11) 2_655 . ?
O4 Dy1 Co1 33.86(11) . . ?
O8 Dy1 Co1 159.42(10) . . ?
O8 Dy1 Co1 38.89(10) 2_655 . ?
Co2 Dy1 Co1 55.41(2) 2_655 . ?
Co2 Dy1 Co1 125.15(2) . . ?
Co1 Dy1 Co1 146.25(3) 2_655 . ?
O15 Dy2 O13 77.07(19) . . ?
O15 Dy2 O7 144.18(16) . . ?
O13 Dy2 O7 135.32(17) . . ?
O15 Dy2 O11 79.00(17) . . ?
O13 Dy2 O11 105.15(18) . . ?
O7 Dy2 O11 77.45(16) . . ?
O15 Dy2 O4 144.15(17) . 2_655 ?
O13 Dy2 O4 81.14(17) . 2_655 ?
O7 Dy2 O4 68.46(14) . 2_655 ?
O11 Dy2 O4 134.68(16) . 2_655 ?
O15 Dy2 O12 77.13(18) . . ?
O13 Dy2 O12 151.51(18) . . ?
O7 Dy2 O12 73.00(16) . . ?
O11 Dy2 O12 81.46(18) . . ?
O4 Dy2 O12 114.28(16) 2_655 . ?
O15 Dy2 O14 79.1(2) . . ?
O13 Dy2 O14 89.77(16) . . ?
O7 Dy2 O14 110.22(18) . . ?
O11 Dy2 O14 149.86(14) . . ?
O4 Dy2 O14 72.66(17) 2_655 . ?
O12 Dy2 O14 73.66(14) . . ?
O15 Dy2 O9 128.95(16) . . ?
O13 Dy2 O9 73.64(17) . . ?
O7 Dy2 O9 65.49(13) . . ?
O11 Dy2 O9 69.77(15) . . ?
O4 Dy2 O9 69.34(14) 2_655 . ?
O12 Dy2 O9 133.30(16) . . ?
O14 Dy2 O9 140.31(13) . . ?
O15 Dy2 Co2 143.23(13) . . ?
O13 Dy2 Co2 106.97(14) . . ?
O7 Dy2 Co2 32.85(10) . . ?
O11 Dy2 Co2 64.54(12) . . ?
O4 Dy2 Co2 70.66(11) 2_655 . ?
O12 Dy2 Co2 100.90(13) . . ?
O14 Dy2 Co2 136.33(16) . . ?
O9 Dy2 Co2 33.61(9) . . ?
O15 Dy2 Co1 140.72(13) . 2_655 ?
O13 Dy2 Co1 63.74(14) . 2_655 ?
O7 Dy2 Co1 72.92(10) . 2_655 ?
O11 Dy2 Co1 107.75(11) . 2_655 ?
O4 Dy2 Co1 34.47(10) 2_655 2_655 ?
O12 Dy2 Co1 141.56(12) . 2_655 ?
O14 Dy2 Co1 102.33(9) . 2_655 ?
O9 Dy2 Co1 37.99(10) . 2_655 ?
Co2 Dy2 Co1 55.09(2) . 2_655 ?
O15 Dy2 Dy1 156.77(14) . . ?
O13 Dy2 Dy1 116.39(13) . . ?
O7 Dy2 Dy1 35.81(10) . . ?
O11 Dy2 Dy1 112.74(12) . . ?
O4 Dy2 Dy1 36.20(10) 2_655 . ?
O12 Dy2 Dy1 84.70(12) . . ?
O14 Dy2 Dy1 82.01(16) . . ?
O9 Dy2 Dy1 74.22(9) . . ?
Co2 Dy2 Dy1 54.346(16) . . ?
Co1 Dy2 Dy1 57.098(16) 2_655 . ?
C20 N1 C17 111.2(6) . . ?
C20 N1 C18 109.9(5) . . ?
C17 N1 C18 113.2(5) . . ?
C20 N1 Co2 114.1(4) . . ?
C17 N1 Co2 106.0(4) . . ?
C18 N1 Co2 102.1(4) . . ?
C1 O1 Co1 125.1(5) . . ?
C6 O2 Co1 88.1(4) . . ?
C6 O3 Co1 90.7(5) . . ?
Co1 O4 Dy1 105.50(19) . . ?
Co1 O4 Dy2 103.81(19) . 2_655 ?
Dy1 O4 Dy2 107.36(16) . 2_655 ?
C11 O5 Dy1 134.3(4) . . ?
C11 O6 Co2 128.6(4) . . ?
Co2 O7 Dy2 105.28(18) . . ?
Co2 O7 Dy1 101.47(17) . . ?
Dy2 O7 Dy1 108.70(16) . . ?
C16 O8 Co2 106.6(4) . . ?
C16 O8 Co1 114.0(4) . 2_655 ?
Co2 O8 Co1 100.21(19) . 2_655 ?
C16 O8 Dy1 135.1(4) . . ?
Co2 O8 Dy1 98.20(17) . . ?
Co1 O8 Dy1 97.15(16) 2_655 . ?
C19 O9 Co2 112.6(4) . . ?
C19 O9 Co1 111.7(4) . 2_655 ?
Co2 O9 Co1 103.76(19) . 2_655 ?
C19 O9 Dy2 134.3(4) . . ?
Co2 O9 Dy2 96.46(17) . . ?
Co1 O9 Dy2 93.43(15) 2_655 . ?
C24 O10 Co2 126.0(4) . . ?
C24 O11 Dy2 136.5(4) . . ?
C29 O12 Dy2 132.6(6) . . ?
C1 O13 Dy2 142.5(5) 2_655 . ?
Co3 O14 Co3 54.1(3) 2_655 . ?
Co3 O14 Dy2 114.19(13) 2_655 . ?
Co3 O14 Dy2 113.01(13) . . ?
Co3 O14 Dy2 113.01(13) 2_655 2_655 ?
Co3 O14 Dy2 114.19(13) . 2_655 ?
Dy2 O14 Dy2 126.6(3) . 2_655 ?
C34 O15 Dy2 144.9(8) . . ?
C29 O16 Co3 128.6(5) . . ?
C34 O17 Co3 120.9(8) . 2_655 ?
C34 O17 Co3 107.4(8) . . ?
Co3 O17 Co3 46.41(18) 2_655 . ?

_diffrn_measured_fraction_theta_max 1
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 1
_refine_diff_density_max         2.469
_refine_diff_density_min         -1.478
_refine_diff_density_rms         0.171
_database_code_depnum_ccdc_archive 'CCDC 991803'
#######################################################################
#
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#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
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#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_complex3

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        ?

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.002 0.000 0.000 816 313 ' '
2 -0.001 0.500 0.500 816 314 ' '
_platon_squeeze_details          
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C54 H105 Co3 Gd3 N3 O25, 2(N O3), 2(O)'
_chemical_formula_sum            'C54 H105 Co3 Gd3 N5 O33'
_chemical_formula_weight         2000.98

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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.1653 3.9035 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   14.900(3)
_cell_length_b                   31.505(5)
_cell_length_c                   19.332(3)
_cell_angle_alpha                90
_cell_angle_beta                 103.363(4)
_cell_angle_gamma                90
_cell_volume                     8829(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    110(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      2.75
_cell_measurement_theta_max      29.41

_exptl_crystal_description       Block
_exptl_crystal_colour            purple
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.505
_exptl_crystal_F_000             4004
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.28
_exptl_absorpt_coefficient_mu    2.845
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.306
_exptl_absorpt_correction_T_max  0.451
_exptl_absorpt_process_details   multi-scan

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      110(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            181656
_diffrn_reflns_av_unetI/netI     0.0575
_diffrn_reflns_av_R_equivalents  0.0823
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -42
_diffrn_reflns_limit_k_max       42
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.166
_diffrn_reflns_theta_max         28.574
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             22155
_reflns_number_gt                18557
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0001P)²+5.7792P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         22155
_refine_ls_number_parameters     799
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.1214
_refine_ls_R_factor_gt           0.0949
_refine_ls_wR_factor_ref         0.2273
_refine_ls_wR_factor_gt          0.2209
_refine_ls_goodness_of_fit_ref   1.123
_refine_ls_restrained_S_all      1.124
_refine_ls_shift/su_max          0.047
_refine_ls_shift/su_mean         0.001

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
C1 C 0.3499(8) 0.4559(4) 0.1418(6) 0.015(2) Uani 1 1 d . . . . .
C2 C 0.0471(9) 0.3751(4) 0.0421(6) 0.019(2) Uani 1 1 d . . . . .
C3 C 0.6376(8) 0.3912(4) 0.0632(6) 0.016(2) Uani 1 1 d . . . . .
H3A H 0.6956 0.3914 0.0985 0.020 Uiso 1 1 calc R U . . .
H3B H 0.6505 0.3972 0.0172 0.020 Uiso 1 1 calc R U . . .
C4 C 0.4371(8) 0.4091(4) -0.0138(6) 0.013(2) Uani 1 1 d . . . . .
H4A H 0.3841 0.4229 -0.0440 0.016 Uiso 1 1 calc R U . . .
H4B H 0.4612 0.3886 -0.0423 0.016 Uiso 1 1 calc R U . . .
C5 C 0.0361(10) 0.2278(4) 0.0559(7) 0.024(3) Uani 1 1 d . . . . .
C6 C 0.5979(8) 0.3792(4) 0.2731(6) 0.019(2) Uani 1 1 d . . . . .
C7 C -0.0390(9) 0.4004(4) 0.0064(7) 0.022(3) Uani 1 1 d . . . . .
C8 C 0.6627(15) 0.3974(7) 0.3417(10) 0.055(3) Uani 1 1 d . . . . .
C9 C 0.5104(8) 0.4419(4) 0.0156(6) 0.016(2) Uani 1 1 d . . . . .
H9A H 0.5445 0.4489 -0.0200 0.019 Uiso 1 1 calc R U . . .
H9B H 0.4816 0.4677 0.0275 0.019 Uiso 1 1 calc R U . . .
C10 C 0.5926(9) 0.3476(4) 0.0616(6) 0.018(2) Uani 1 1 d . . . . .
H10A H 0.5447 0.3444 0.0184 0.022 Uiso 1 1 calc R U . . .
H10B H 0.6382 0.3255 0.0626 0.022 Uiso 1 1 calc R U . . .
C11 C 0.6967(9) 0.4832(4) 0.0861(7) 0.020(2) Uani 1 1 d . . . . .
H11A H 0.7395 0.4630 0.0738 0.024 Uiso 1 1 calc R U . . .
H11B H 0.6627 0.4964 0.0425 0.024 Uiso 1 1 calc R U . . .
C12 C 0.7497(9) 0.5167(4) 0.1339(7) 0.026(3) Uani 1 1 d . . . . .
H12A H 0.7793 0.5039 0.1790 0.031 Uiso 1 1 calc R U . . .
H12B H 0.7070 0.5381 0.1430 0.031 Uiso 1 1 calc R U . . .
C13 C 0.8227(10) 0.5380(5) 0.1022(10) 0.036(4) Uani 1 1 d . . . . .
H13A H 0.8685 0.5175 0.0973 0.054 Uiso 1 1 calc R U . . .
H13B H 0.8514 0.5605 0.1329 0.054 Uiso 1 1 calc R U . . .
H13C H 0.7943 0.5494 0.0563 0.054 Uiso 1 1 calc R U . . .
C14 C 0.6294(8) 0.4599(3) 0.1217(6) 0.013(2) Uani 1 1 d . . . . .
H14A H 0.6641 0.4485 0.1665 0.016 Uiso 1 1 calc R U . . .
H14B H 0.5864 0.4806 0.1326 0.016 Uiso 1 1 calc R U . . .
C15 C 0.1014(9) 0.3545(4) 0.2374(7) 0.023(3) Uani 1 1 d . . . . .
H15A H 0.0540 0.3725 0.2092 0.028 Uiso 1 1 calc R U . . .
H15B H 0.1016 0.3588 0.2871 0.028 Uiso 1 1 calc R U . . .
C16 C 0.1919(9) 0.3662(4) 0.2249(6) 0.021(3) Uani 1 1 d . . . . .
H16A H 0.1934 0.3966 0.2170 0.025 Uiso 1 1 calc R U . . .
H16B H 0.2396 0.3595 0.2669 0.025 Uiso 1 1 calc R U . . .
C17 C 0.1412(9) 0.2794(4) 0.2709(6) 0.0190(16) Uani 1 1 d . . . . .
H17A H 0.1948 0.2946 0.2974 0.023 Uiso 1 1 calc R U . . .
H17B H 0.1073 0.2684 0.3042 0.023 Uiso 1 1 calc R U . . .
C18 C -0.0093(9) 0.2898(4) 0.2062(7) 0.029(3) Uiso 1 1 d D . . . .
H18A H -0.0038 0.2592 0.2107 0.035 Uiso 1 1 calc R U . . .
H18B H -0.0457 0.2967 0.1591 0.035 Uiso 1 1 calc R U . . .
C19 C -0.0573(10) 0.3098(5) 0.2684(8) 0.036(4) Uani 1 1 d D . . . .
H19A H -0.0181 0.3033 0.3146 0.043 Uiso 1 1 calc R U . . .
H19B H -0.0595 0.3405 0.2635 0.043 Uiso 1 1 calc R U . . .
C20 C -0.1537(12) 0.2939(9) 0.2664(11) 0.066(5) Uani 1 1 d . . . . .
H20A H -0.1731 0.3044 0.3078 0.079 Uiso 1 1 calc R U . . .
H20B H -0.1526 0.2631 0.2689 0.079 Uiso 1 1 calc R U . . .
C21 C 0.5862(8) 0.2096(4) 0.2749(7) 0.021(3) Uani 1 1 d . . . . .
C22 C 0.6184(14) 0.1470(5) 0.3558(8) 0.044(4) Uani 1 1 d . . . . .
H22A H 0.5540 0.1477 0.3558 0.066 Uiso 1 1 calc R U . . .
H22B H 0.6529 0.1370 0.4011 0.066 Uiso 1 1 calc R U . . .
H22C H 0.6279 0.1282 0.3191 0.066 Uiso 1 1 calc R U . . .
C23 C 0.6501(11) 0.1903(6) 0.3426(9) 0.041(2) Uani 1 1 d . . . . .
C24 C 0.6870(9) 0.3638(5) 0.3983(7) 0.027(3) Uani 1 1 d . . . . .
H24A H 0.7261 0.3758 0.4402 0.041 Uiso 1 1 calc R U . . .
H24B H 0.7189 0.3410 0.3814 0.041 Uiso 1 1 calc R U . . .
H24C H 0.6317 0.3531 0.4094 0.041 Uiso 1 1 calc R U . . .
C25 C 0.7535(15) 0.4126(7) 0.3232(10) 0.055(3) Uani 1 1 d . . . . .
H25A H 0.7967 0.4211 0.3659 0.083 Uiso 1 1 calc R U . . .
H25B H 0.7406 0.4363 0.2912 0.083 Uiso 1 1 calc R U . . .
H25C H 0.7794 0.3899 0.3010 0.083 Uiso 1 1 calc R U . . .
C26 C 0.3289(10) 0.1403(4) 0.1530(7) 0.0242(16) Uani 1 1 d . . . . .
C27 C -0.0468(10) 0.3977(6) -0.0735(8) 0.042(4) Uani 1 1 d . . . . .
H27A H -0.0563 0.3687 -0.0886 0.062 Uiso 1 1 calc R U . . .
H27B H 0.0090 0.4081 -0.0842 0.062 Uiso 1 1 calc R U . . .
H27C H -0.0980 0.4146 -0.0979 0.062 Uiso 1 1 calc R U . . .
C28 C -0.0198(12) 0.4464(5) 0.0313(10) 0.040(4) Uani 1 1 d . . . . .
H28A H -0.0651 0.4648 0.0028 0.060 Uiso 1 1 calc R U . . .
H28B H 0.0406 0.4546 0.0264 0.060 Uiso 1 1 calc R U . . .
H28C H -0.0227 0.4488 0.0802 0.060 Uiso 1 1 calc R U . . .
C29 C 0.3249(9) 0.4987(4) 0.1700(7) 0.021(3) Uani 1 1 d . . . . .
C30 C 0.2805(13) 0.5261(5) 0.1064(9) 0.039(4) Uani 1 1 d . . . . .
H30A H 0.2503 0.5498 0.1222 0.058 Uiso 1 1 calc R U . . .
H30B H 0.2361 0.5095 0.0734 0.058 Uiso 1 1 calc R U . . .
H30C H 0.3271 0.5361 0.0835 0.058 Uiso 1 1 calc R U . . .
C31 C 0.4093(11) 0.5211(6) 0.2133(11) 0.047(5) Uani 1 1 d . . . . .
H31A H 0.4293 0.5071 0.2584 0.070 Uiso 1 1 calc R U . . .
H31B H 0.3941 0.5501 0.2209 0.070 Uiso 1 1 calc R U . . .
H31C H 0.4578 0.5203 0.1882 0.070 Uiso 1 1 calc R U . . .
C32 C 0.2526(15) 0.4918(6) 0.2141(11) 0.052(5) Uani 1 1 d . . . . .
H32A H 0.2784 0.4743 0.2545 0.079 Uiso 1 1 calc R U . . .
H32B H 0.1994 0.4780 0.1853 0.079 Uiso 1 1 calc R U . . .
H32C H 0.2350 0.5187 0.2301 0.079 Uiso 1 1 calc R U . . .
C33 C 0.7467(11) 0.1888(6) 0.3278(9) 0.041(2) Uani 1 1 d . . . . .
H33A H 0.7914 0.1834 0.3714 0.062 Uiso 1 1 calc R U . . .
H33B H 0.7600 0.2155 0.3085 0.062 Uiso 1 1 calc R U . . .
H33C H 0.7492 0.1666 0.2944 0.062 Uiso 1 1 calc R U . . .
C34 C 0.6485(11) 0.2185(6) 0.4065(8) 0.041(2) Uani 1 1 d . . . . .
H34A H 0.5922 0.2138 0.4215 0.062 Uiso 1 1 calc R U . . .
H34B H 0.6522 0.2477 0.3935 0.062 Uiso 1 1 calc R U . . .
H34C H 0.7001 0.2116 0.4448 0.062 Uiso 1 1 calc R U . . .
C35 C 0.2988(14) 0.0978(6) 0.1832(12) 0.055(3) Uani 1 1 d . . . . .
C36 C 0.2365(13) 0.0714(6) 0.1255(12) 0.055(3) Uani 1 1 d . . . . .
H36A H 0.2719 0.0603 0.0940 0.082 Uiso 1 1 calc R U . . .
H36B H 0.1878 0.0890 0.0991 0.082 Uiso 1 1 calc R U . . .
H36C H 0.2105 0.0484 0.1469 0.082 Uiso 1 1 calc R U . . .
C37 C -0.0535(17) 0.2039(9) 0.0293(15) 0.080(4) Uani 1 1 d . . . . .
C38 C -0.1265(9) 0.3829(5) 0.0252(9) 0.031(3) Uani 1 1 d . . . . .
H38A H -0.1797 0.3969 -0.0031 0.047 Uiso 1 1 calc R U . . .
H38B H -0.1237 0.3878 0.0747 0.047 Uiso 1 1 calc R U . . .
H38C H -0.1309 0.3529 0.0158 0.047 Uiso 1 1 calc R U . . .
C39 C -0.0421(16) 0.1667(8) -0.0167(15) 0.080(4) Uani 1 1 d . . . . .
H39A H -0.0992 0.1514 -0.0298 0.120 Uiso 1 1 calc R U . . .
H39B H 0.0052 0.1482 0.0092 0.120 Uiso 1 1 calc R U . . .
H39C H -0.0250 0.1767 -0.0588 0.120 Uiso 1 1 calc R U . . .
C40 C 0.3965(13) 0.1665(6) 0.0027(8) 0.040(4) Uani 1 1 d . . . . .
H40A H 0.3643 0.1725 -0.0459 0.048 Uiso 1 1 calc R U . . .
H40B H 0.3677 0.1420 0.0192 0.048 Uiso 1 1 calc R U . . .
C41 C 0.4937(13) 0.1578(6) 0.0063(9) 0.044(4) Uani 1 1 d . . . . .
H41A H 0.5163 0.1776 -0.0242 0.053 Uiso 1 1 calc R U . . .
H41B H 0.5001 0.1293 -0.0110 0.053 Uiso 1 1 calc R U . . .
C42 C 0.5783(13) 0.1196(5) 0.1103(9) 0.041(3) Uani 1 1 d . . . . .
H42A H 0.5236 0.1020 0.1035 0.049 Uiso 1 1 calc R U . . .
H42B H 0.6023 0.1227 0.1612 0.049 Uiso 1 1 calc R U . . .
C43 C 0.6491(13) 0.0961(5) 0.0807(9) 0.041(3) Uani 1 1 d . . . . .
H43A H 0.7050 0.1130 0.0889 0.049 Uiso 1 1 calc R U . . .
H43B H 0.6262 0.0934 0.0297 0.049 Uiso 1 1 calc R U . . .
C44 C 0.6305(11) 0.1908(5) 0.0798(10) 0.040(3) Uani 1 1 d . . . . .
H44A H 0.6781 0.1869 0.1230 0.048 Uiso 1 1 calc R U . . .
H44B H 0.6564 0.1839 0.0396 0.048 Uiso 1 1 calc R U . . .
C45 C 0.5986(11) 0.2353(5) 0.0745(10) 0.040(3) Uani 1 1 d . . . . .
H45A H 0.6517 0.2540 0.0851 0.048 Uiso 1 1 calc R U . . .
H45B H 0.5647 0.2410 0.0262 0.048 Uiso 1 1 calc R U . . .
C46 C 0.6156(15) 0.4361(6) 0.3642(10) 0.055(3) Uani 1 1 d . . . . .
H46A H 0.5628 0.4273 0.3811 0.083 Uiso 1 1 calc R U . . .
H46B H 0.5963 0.4548 0.3242 0.083 Uiso 1 1 calc R U . . .
H46C H 0.6581 0.4508 0.4014 0.083 Uiso 1 1 calc R U . . .
C47 C 0.2366(15) 0.1121(7) 0.2353(12) 0.064(6) Uani 1 1 d . . . . .
H47A H 0.2479 0.0937 0.2760 0.096 Uiso 1 1 calc R U . . .
H47B H 0.1728 0.1104 0.2110 0.096 Uiso 1 1 calc R U . . .
H47C H 0.2515 0.1407 0.2504 0.096 Uiso 1 1 calc R U . . .
C48 C -0.1195(16) 0.2330(8) -0.0192(15) 0.080(4) Uani 1 1 d . . . . .
H48A H -0.0914 0.2433 -0.0560 0.120 Uiso 1 1 calc R U . . .
H48B H -0.1343 0.2566 0.0076 0.120 Uiso 1 1 calc R U . . .
H48C H -0.1749 0.2178 -0.0403 0.120 Uiso 1 1 calc R U . . .
C49 C -0.2237(12) 0.3077(9) 0.1994(10) 0.066(5) Uani 1 1 d . . . . .
H49A H -0.2378 0.3372 0.2030 0.099 Uiso 1 1 calc R U . . .
H49B H -0.2790 0.2912 0.1945 0.099 Uiso 1 1 calc R U . . .
H49C H -0.1983 0.3033 0.1587 0.099 Uiso 1 1 calc R U . . .
C50 C 0.1712(8) 0.2432(4) 0.2299(6) 0.019(2) Uani 1 1 d . . . . .
H50A H 0.2187 0.2266 0.2610 0.023 Uiso 1 1 calc R U . . .
H50B H 0.1193 0.2248 0.2107 0.023 Uiso 1 1 calc R U . . .
C51 C 0.3809(13) 0.0749(6) 0.2251(12) 0.055(3) Uani 1 1 d . . . . .
H51A H 0.3613 0.0501 0.2463 0.082 Uiso 1 1 calc R U . . .
H51B H 0.4145 0.0933 0.2617 0.082 Uiso 1 1 calc R U . . .
H51C H 0.4200 0.0667 0.1943 0.082 Uiso 1 1 calc R U . . .
C52 C -0.0869(16) 0.1859(9) 0.0847(14) 0.080(4) Uani 1 1 d . . . . .
H52A H -0.1197 0.2070 0.1048 0.120 Uiso 1 1 calc R U . . .
H52B H -0.0361 0.1755 0.1207 0.120 Uiso 1 1 calc R U . . .
H52C H -0.1277 0.1629 0.0665 0.120 Uiso 1 1 calc R U . . .
C53 C 0.674(4) 0.0519(11) 0.1120(18) 0.190(19) Uani 1 1 d . . . . .
H53A H 0.6198 0.0337 0.0996 0.229 Uiso 1 1 calc R U . . .
H53B H 0.6917 0.0539 0.1634 0.229 Uiso 1 1 calc R U . . .
C54 C 0.755(3) 0.0316(11) 0.0833(17) 0.190(19) Uani 1 1 d . . . . .
H54A H 0.7362 0.0042 0.0631 0.286 Uiso 1 1 calc R U . . .
H54B H 0.8082 0.0285 0.1218 0.286 Uiso 1 1 calc R U . . .
H54C H 0.7696 0.0497 0.0475 0.286 Uiso 1 1 calc R U . . .
Co1 Co 0.12220(11) 0.30303(5) 0.12828(8) 0.0142(3) Uani 1 1 d . . . . .
Co2 Co 0.49246(10) 0.39574(5) 0.13202(8) 0.0118(3) Uani 1 1 d . . . . .
Co3 Co 0.47518(12) 0.19456(5) 0.13450(8) 0.0164(3) Uani 1 1 d . . . . .
Gd1 Gd 0.27720(4) 0.36112(2) 0.07097(3) 0.01135(12) Uani 1 1 d . . . . .
Gd2 Gd 0.26606(4) 0.23492(2) 0.07964(3) 0.01392(12) Uani 1 1 d . . . . .
Gd3 Gd 0.48684(4) 0.29555(2) 0.18518(3) 0.01309(12) Uani 1 1 d . . . . .
N1 N 0.0509(8) 0.1948(4) 0.3519(6) 0.031(3) Uani 1 1 d . . . . .
N2 N 0.3909(7) 0.2124(3) 0.3733(5) 0.017(2) Uani 1 1 d . . . . .
N3 N 0.5751(7) 0.4246(3) 0.0808(5) 0.0144(19) Uani 1 1 d . . . . .
N4 N 0.0801(7) 0.3092(3) 0.2180(5) 0.0190(16) Uani 1 1 d D . . . .
N5 N 0.5502(9) 0.1618(4) 0.0808(6) 0.027(3) Uani 1 1 d . . . . .
O1 O 0.4104(5) 0.3883(3) 0.0425(4) 0.0123(15) Uani 1 1 d . . . . .
O2 O 0.4079(5) 0.3638(2) 0.1713(4) 0.0120(15) Uani 1 1 d . . . . .
O3 O 0.5733(5) 0.4059(3) 0.2230(4) 0.0150(16) Uani 1 1 d . . . . .
O4 O 0.4361(6) 0.4488(2) 0.1481(4) 0.0155(16) Uani 1 1 d . . . . .
O5 O 0.2512(6) 0.3567(3) -0.0571(5) 0.0218(18) Uani 1 1 d . . . . .
O6 O 0.2109(6) 0.3447(3) 0.1657(4) 0.0176(17) Uani 1 1 d . . . . .
O7 O 0.1766(5) 0.2990(2) 0.0492(4) 0.0118(15) Uani 1 1 d . . . . .
O8 O 0.2331(6) 0.2361(3) -0.0497(4) 0.0205(18) Uani 1 1 d . . . . .
O9 O 0.1105(6) 0.2133(3) 0.0449(5) 0.0212(19) Uani 1 1 d . . . . .
O10 O 0.3985(6) 0.2302(3) 0.1771(4) 0.0186(17) Uani 1 1 d . . . . .
O11 O 0.5432(6) 0.2438(3) 0.1204(4) 0.0165(17) Uani 1 1 d . . . . .
O12 O 0.5688(7) 0.2490(3) 0.2733(5) 0.024(2) Uani 1 1 d . . . . .
O13 O 0.5598(7) 0.1841(3) 0.2233(5) 0.025(2) Uani 1 1 d . . . . .
O14 O 0.4135(6) 0.1450(3) 0.1566(5) 0.0202(18) Uani 1 1 d . . . . .
O15 O 0.4028(6) 0.1916(3) 0.4294(5) 0.025(2) Uani 1 1 d . . . . .
O16 O 0.3749(6) 0.3014(3) 0.2629(4) 0.0177(17) Uani 1 1 d . . . . .
O17 O 0.3918(6) 0.2022(3) 0.0468(4) 0.0192(17) Uani 1 1 d . . . . .
O18 O 0.5543(5) 0.3442(2) 0.1219(4) 0.0123(15) Uani 1 1 d . . . . .
O19 O 0.2845(6) 0.4315(3) 0.1140(5) 0.0206(18) Uani 1 1 d . . . . .
O20 O 0.1234(6) 0.3852(3) 0.0292(5) 0.0178(17) Uani 1 1 d . . . . .
O21 O 0.0347(6) 0.3444(3) 0.0825(4) 0.0186(17) Uani 1 1 d . . . . .
O22 O 0.3643(5) 0.2959(3) 0.0795(4) 0.0155(16) Uani 1 1 d . . . . .
O23 O 0.2061(6) 0.2611(3) 0.1737(4) 0.0182(17) Uani 1 1 d . . . . .
O24 O 0.5767(6) 0.3411(3) 0.2724(4) 0.0185(17) Uani 1 1 d . . . . .
O25 O -0.0235(8) 0.2000(4) 0.3087(7) 0.050(3) Uani 1 1 d . . . . .
O26 O 0.0744(8) 0.2179(4) 0.4054(6) 0.038(3) Uani 1 1 d . . . . .
O27 O 0.1068(8) 0.1655(5) 0.3417(6) 0.048(3) Uani 1 1 d . . . . .
O28 O 0.4003(8) 0.1961(3) 0.3163(5) 0.030(2) Uani 1 1 d . . . . .
O29 O 0.3661(8) 0.2516(3) 0.3737(6) 0.035(3) Uani 1 1 d . . . . .
O30 O 0.0293(6) 0.2622(3) 0.0902(4) 0.0193(18) Uani 1 1 d . . . . .
O31 O 0.2648(7) 0.1646(3) 0.1235(5) 0.0242(16) Uani 1 1 d . . . . .
O40 O 0.8049(15) 0.2461(7) 0.0961(12) 0.105(7) Uiso 1 1 d . . . . .
O50 O 0.7983(9) 0.3495(4) 0.0808(7) 0.052(3) Uiso 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
C1 O19 1.259(14) . ?
C1 O4 1.280(14) . ?
C1 C29 1.533(17) . ?
C2 O20 1.259(15) . ?
C2 O21 1.284(15) . ?
C2 C7 1.533(17) . ?
C3 N3 1.496(15) . ?
C3 C10 1.527(16) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 O1 1.404(12) . ?
C4 C9 1.516(15) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 O9 1.264(17) . ?
C5 O30 1.284(16) . ?
C5 C37 1.52(2) . ?
C6 O24 1.240(15) . ?
C6 O3 1.270(14) . ?
C6 C8 1.56(2) . ?
C7 C27 1.52(2) . ?
C7 C28 1.53(2) . ?
C7 C38 1.535(18) . ?
C8 C24 1.51(2) . ?
C8 C46 1.52(3) . ?
C8 C25 1.55(3) . ?
C9 N3 1.501(14) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 O18 1.415(13) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.501(18) . ?
C11 C14 1.529(15) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C13 1.523(19) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 N3 1.491(14) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.472(18) . ?
C15 N4 1.491(16) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 O6 1.412(14) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C50 1.513(17) . ?
C17 N4 1.524(16) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 N4 1.434(13) . ?
C18 C19 1.659(15) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C20 1.51(2) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 C49 1.53(3) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 O12 1.267(16) . ?
C21 O13 1.269(17) . ?
C21 C23 1.554(18) . ?
C22 C23 1.49(2) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 C34 1.53(3) . ?
C23 C33 1.53(2) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 O31 1.252(15) . ?
C26 O14 1.255(16) . ?
C26 C35 1.57(2) . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 C31 1.514(19) . ?
C29 C30 1.52(2) . ?
C29 C32 1.54(2) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 C51 1.49(3) . ?
C35 C36 1.52(3) . ?
C35 C47 1.58(3) . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 C52 1.40(4) . ?
C37 C48 1.50(4) . ?
C37 C39 1.51(4) . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C40 O17 1.425(17) . ?
C40 C41 1.46(2) . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C41 N5 1.50(2) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C42 N5 1.469(18) . ?
C42 C43 1.506(19) . ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
C43 C53 1.53(3) . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C44 C45 1.48(2) . ?
C44 N5 1.508(19) . ?
C44 H44A 0.9700 . ?
C44 H44B 0.9700 . ?
C45 O11 1.370(16) . ?
C45 H45A 0.9700 . ?
C45 H45B 0.9700 . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
C49 H49A 0.9600 . ?
C49 H49B 0.9600 . ?
C49 H49C 0.9600 . ?
C50 O23 1.422(14) . ?
C50 H50A 0.9700 . ?
C50 H50B 0.9700 . ?
C51 H51A 0.9600 . ?
C51 H51B 0.9600 . ?
C51 H51C 0.9600 . ?
C52 H52A 0.9600 . ?
C52 H52B 0.9600 . ?
C52 H52C 0.9600 . ?
C53 C54 1.58(4) . ?
C53 H53A 0.9700 . ?
C53 H53B 0.9700 . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 0.9600 . ?
Co1 O6 1.886(9) . ?
Co1 O23 1.891(8) . ?
Co1 O7 1.892(8) . ?
Co1 O30 1.908(9) . ?
Co1 O21 1.909(9) . ?
Co1 N4 1.986(10) . ?
Co1 Gd2 3.3188(17) . ?
Co1 Gd1 3.3308(17) . ?
Co2 O1 1.889(7) . ?
Co2 O18 1.899(8) . ?
Co2 O2 1.902(8) . ?
Co2 O3 1.915(8) . ?
Co2 O4 1.928(8) . ?
Co2 N3 1.972(10) . ?
Co2 Gd3 3.3266(17) . ?
Co2 Gd1 3.3346(17) . ?
Co3 O17 1.871(8) . ?
Co3 O11 1.908(9) . ?
Co3 O13 1.910(10) . ?
Co3 O14 1.911(9) . ?
Co3 O10 1.917(8) . ?
Co3 N5 1.981(11) . ?
Co3 Gd2 3.3048(18) . ?
Co3 Gd3 3.3218(18) . ?
Gd1 O6 2.332(8) . ?
Gd1 O1 2.341(7) . ?
Gd1 O19 2.363(9) . ?
Gd1 O20 2.371(8) . ?
Gd1 O2 2.411(8) . ?
Gd1 O22 2.416(8) . ?
Gd1 O5 2.420(9) . ?
Gd1 O7 2.442(8) . ?
Gd1 Gd3 3.9637(9) . ?
Gd1 Gd2 3.9847(10) . ?
Gd2 O17 2.350(8) . ?
Gd2 O23 2.353(9) . ?
Gd2 O9 2.360(9) . ?
Gd2 O31 2.375(8) . ?
Gd2 O10 2.398(8) . ?
Gd2 O22 2.415(8) . ?
Gd2 O7 2.416(8) . ?
Gd2 O8 2.434(8) . ?
Gd2 Gd3 3.9410(10) . ?
Gd3 O11 2.328(8) . ?
Gd3 O18 2.330(8) . ?
Gd3 O12 2.362(8) . ?
Gd3 O24 2.377(8) . ?
Gd3 O22 2.405(8) . ?
Gd3 O10 2.429(9) . ?
Gd3 O2 2.436(8) . ?
Gd3 O16 2.496(8) . ?
N1 O25 1.235(15) . ?
N1 O26 1.247(16) . ?
N1 O27 1.287(18) . ?
N2 O15 1.243(13) . ?
N2 O28 1.252(14) . ?
N2 O29 1.290(14) . ?

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
O19 C1 O4 126.6(11) . . ?
O19 C1 C29 117.3(10) . . ?
O4 C1 C29 116.1(10) . . ?
O20 C2 O21 125.0(11) . . ?
O20 C2 C7 118.7(11) . . ?
O21 C2 C7 116.3(11) . . ?
N3 C3 C10 110.1(9) . . ?
N3 C3 H3A 109.6 . . ?
C10 C3 H3A 109.6 . . ?
N3 C3 H3B 109.6 . . ?
C10 C3 H3B 109.6 . . ?
H3A C3 H3B 108.1 . . ?
O1 C4 C9 109.8(9) . . ?
O1 C4 H4A 109.7 . . ?
C9 C4 H4A 109.7 . . ?
O1 C4 H4B 109.7 . . ?
C9 C4 H4B 109.7 . . ?
H4A C4 H4B 108.2 . . ?
O9 C5 O30 124.7(12) . . ?
O9 C5 C37 120.0(16) . . ?
O30 C5 C37 115.2(16) . . ?
O24 C6 O3 127.1(12) . . ?
O24 C6 C8 118.2(12) . . ?
O3 C6 C8 114.7(12) . . ?
C27 C7 C2 106.7(11) . . ?
C27 C7 C28 109.6(13) . . ?
C2 C7 C28 105.9(11) . . ?
C27 C7 C38 110.5(12) . . ?
C2 C7 C38 112.0(11) . . ?
C28 C7 C38 111.9(12) . . ?
C24 C8 C46 113.9(16) . . ?
C24 C8 C25 107.9(16) . . ?
C46 C8 C25 107.5(17) . . ?
C24 C8 C6 111.0(14) . . ?
C46 C8 C6 107.7(15) . . ?
C25 C8 C6 108.6(15) . . ?
N3 C9 C4 109.5(9) . . ?
N3 C9 H9A 109.8 . . ?
C4 C9 H9A 109.8 . . ?
N3 C9 H9B 109.8 . . ?
C4 C9 H9B 109.8 . . ?
H9A C9 H9B 108.2 . . ?
O18 C10 C3 108.0(9) . . ?
O18 C10 H10A 110.1 . . ?
C3 C10 H10A 110.1 . . ?
O18 C10 H10B 110.1 . . ?
C3 C10 H10B 110.1 . . ?
H10A C10 H10B 108.4 . . ?
C12 C11 C14 111.5(11) . . ?
C12 C11 H11A 109.3 . . ?
C14 C11 H11A 109.3 . . ?
C12 C11 H11B 109.3 . . ?
C14 C11 H11B 109.3 . . ?
H11A C11 H11B 108.0 . . ?
C11 C12 C13 112.6(12) . . ?
C11 C12 H12A 109.1 . . ?
C13 C12 H12A 109.1 . . ?
C11 C12 H12B 109.1 . . ?
C13 C12 H12B 109.1 . . ?
H12A C12 H12B 107.8 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N3 C14 C11 116.9(9) . . ?
N3 C14 H14A 108.1 . . ?
C11 C14 H14A 108.1 . . ?
N3 C14 H14B 108.1 . . ?
C11 C14 H14B 108.1 . . ?
H14A C14 H14B 107.3 . . ?
C16 C15 N4 110.4(10) . . ?
C16 C15 H15A 109.6 . . ?
N4 C15 H15A 109.6 . . ?
C16 C15 H15B 109.6 . . ?
N4 C15 H15B 109.6 . . ?
H15A C15 H15B 108.1 . . ?
O6 C16 C15 112.1(10) . . ?
O6 C16 H16A 109.2 . . ?
C15 C16 H16A 109.2 . . ?
O6 C16 H16B 109.2 . . ?
C15 C16 H16B 109.2 . . ?
H16A C16 H16B 107.9 . . ?
C50 C17 N4 108.4(10) . . ?
C50 C17 H17A 110.0 . . ?
N4 C17 H17A 110.0 . . ?
C50 C17 H17B 110.0 . . ?
N4 C17 H17B 110.0 . . ?
H17A C17 H17B 108.4 . . ?
N4 C18 C19 105.3(10) . . ?
N4 C18 H18A 110.7 . . ?
C19 C18 H18A 110.7 . . ?
N4 C18 H18B 110.7 . . ?
C19 C18 H18B 110.7 . . ?
H18A C18 H18B 108.8 . . ?
C20 C19 C18 114.9(14) . . ?
C20 C19 H19A 108.5 . . ?
C18 C19 H19A 108.5 . . ?
C20 C19 H19B 108.5 . . ?
C18 C19 H19B 108.6 . . ?
H19A C19 H19B 107.5 . . ?
C19 C20 C49 112.7(17) . . ?
C19 C20 H20A 109.1 . . ?
C49 C20 H20A 109.1 . . ?
C19 C20 H20B 109.0 . . ?
C49 C20 H20B 109.1 . . ?
H20A C20 H20B 107.8 . . ?
O12 C21 O13 125.2(12) . . ?
O12 C21 C23 119.1(13) . . ?
O13 C21 C23 115.6(12) . . ?
C23 C22 H22A 109.5 . . ?
C23 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C23 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C22 C23 C34 109.3(14) . . ?
C22 C23 C33 110.7(15) . . ?
C34 C23 C33 111.1(15) . . ?
C22 C23 C21 110.4(14) . . ?
C34 C23 C21 109.5(13) . . ?
C33 C23 C21 105.9(12) . . ?
C8 C24 H24A 109.5 . . ?
C8 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C8 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C8 C25 H25A 109.5 . . ?
C8 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C8 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
O31 C26 O14 127.2(12) . . ?
O31 C26 C35 115.9(13) . . ?
O14 C26 C35 116.7(12) . . ?
C7 C27 H27A 109.5 . . ?
C7 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C7 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C7 C28 H28A 109.5 . . ?
C7 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C7 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C31 C29 C30 109.5(13) . . ?
C31 C29 C1 111.6(11) . . ?
C30 C29 C1 107.9(11) . . ?
C31 C29 C32 110.9(13) . . ?
C30 C29 C32 107.4(14) . . ?
C1 C29 C32 109.4(11) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C29 C32 H32A 109.5 . . ?
C29 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C29 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C23 C33 H33A 109.5 . . ?
C23 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C23 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C23 C34 H34A 109.5 . . ?
C23 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C23 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C51 C35 C36 114.9(18) . . ?
C51 C35 C26 110.2(15) . . ?
C36 C35 C26 111.8(16) . . ?
C51 C35 C47 108.7(18) . . ?
C36 C35 C47 105.9(17) . . ?
C26 C35 C47 104.7(15) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C52 C37 C48 115(2) . . ?
C52 C37 C39 104(2) . . ?
C48 C37 C39 105(2) . . ?
C52 C37 C5 112(2) . . ?
C48 C37 C5 108(2) . . ?
C39 C37 C5 112(2) . . ?
C7 C38 H38A 109.5 . . ?
C7 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C7 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
O17 C40 C41 107.7(14) . . ?
O17 C40 H40A 110.2 . . ?
C41 C40 H40A 110.2 . . ?
O17 C40 H40B 110.2 . . ?
C41 C40 H40B 110.2 . . ?
H40A C40 H40B 108.5 . . ?
C40 C41 N5 111.1(13) . . ?
C40 C41 H41A 109.4 . . ?
N5 C41 H41A 109.4 . . ?
C40 C41 H41B 109.4 . . ?
N5 C41 H41B 109.4 . . ?
H41A C41 H41B 108.0 . . ?
N5 C42 C43 117.3(13) . . ?
N5 C42 H42A 108.0 . . ?
C43 C42 H42A 108.0 . . ?
N5 C42 H42B 108.0 . . ?
C43 C42 H42B 108.0 . . ?
H42A C42 H42B 107.2 . . ?
C42 C43 C53 114.9(17) . . ?
C42 C43 H43A 108.5 . . ?
C53 C43 H43A 108.5 . . ?
C42 C43 H43B 108.5 . . ?
C53 C43 H43B 108.5 . . ?
H43A C43 H43B 107.5 . . ?
C45 C44 N5 109.4(13) . . ?
C45 C44 H44A 109.8 . . ?
N5 C44 H44A 109.8 . . ?
C45 C44 H44B 109.8 . . ?
N5 C44 H44B 109.8 . . ?
H44A C44 H44B 108.2 . . ?
O11 C45 C44 111.9(14) . . ?
O11 C45 H45A 109.2 . . ?
C44 C45 H45A 109.2 . . ?
O11 C45 H45B 109.2 . . ?
C44 C45 H45B 109.2 . . ?
H45A C45 H45B 107.9 . . ?
C8 C46 H46A 109.5 . . ?
C8 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C8 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C35 C47 H47A 109.5 . . ?
C35 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C35 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C37 C48 H48A 109.5 . . ?
C37 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C37 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C20 C49 H49A 109.5 . . ?
C20 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C20 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
O23 C50 C17 107.8(9) . . ?
O23 C50 H50A 110.1 . . ?
C17 C50 H50A 110.1 . . ?
O23 C50 H50B 110.1 . . ?
C17 C50 H50B 110.1 . . ?
H50A C50 H50B 108.5 . . ?
C35 C51 H51A 109.5 . . ?
C35 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C35 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C37 C52 H52A 109.5 . . ?
C37 C52 H52B 109.4 . . ?
H52A C52 H52B 109.5 . . ?
C37 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C43 C53 C54 111(2) . . ?
C43 C53 H53A 109.4 . . ?
C54 C53 H53A 109.4 . . ?
C43 C53 H53B 109.4 . . ?
C54 C53 H53B 109.4 . . ?
H53A C53 H53B 108.0 . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
O6 Co1 O23 88.8(4) . . ?
O6 Co1 O7 87.9(3) . . ?
O23 Co1 O7 88.2(3) . . ?
O6 Co1 O30 178.1(4) . . ?
O23 Co1 O30 92.9(4) . . ?
O7 Co1 O30 92.9(4) . . ?
O6 Co1 O21 92.6(4) . . ?
O23 Co1 O21 178.4(4) . . ?
O7 Co1 O21 92.6(3) . . ?
O30 Co1 O21 85.7(4) . . ?
O6 Co1 N4 86.0(4) . . ?
O23 Co1 N4 88.3(4) . . ?
O7 Co1 N4 173.1(4) . . ?
O30 Co1 N4 93.2(4) . . ?
O21 Co1 N4 91.1(4) . . ?
O6 Co1 Gd2 96.8(3) . . ?
O23 Co1 Gd2 43.8(3) . . ?
O7 Co1 Gd2 45.8(2) . . ?
O30 Co1 Gd2 85.0(3) . . ?
O21 Co1 Gd2 136.6(3) . . ?
N4 Co1 Gd2 131.7(3) . . ?
O6 Co1 Gd1 42.8(2) . . ?
O23 Co1 Gd1 96.0(3) . . ?
O7 Co1 Gd1 46.3(2) . . ?
O30 Co1 Gd1 137.6(3) . . ?
O21 Co1 Gd1 85.6(3) . . ?
N4 Co1 Gd1 128.3(3) . . ?
Gd2 Co1 Gd1 73.63(4) . . ?
O1 Co2 O18 91.5(4) . . ?
O1 Co2 O2 87.2(3) . . ?
O18 Co2 O2 88.4(3) . . ?
O1 Co2 O3 177.3(4) . . ?
O18 Co2 O3 91.1(4) . . ?
O2 Co2 O3 93.2(3) . . ?
O1 Co2 O4 92.4(4) . . ?
O18 Co2 O4 176.1(4) . . ?
O2 Co2 O4 92.3(3) . . ?
O3 Co2 O4 85.0(4) . . ?
O1 Co2 N3 86.8(4) . . ?
O18 Co2 N3 88.2(4) . . ?
O2 Co2 N3 173.0(4) . . ?
O3 Co2 N3 93.0(4) . . ?
O4 Co2 N3 91.6(4) . . ?
O1 Co2 Gd3 96.2(3) . . ?
O18 Co2 Gd3 43.0(2) . . ?
O2 Co2 Gd3 46.3(2) . . ?
O3 Co2 Gd3 86.0(2) . . ?
O4 Co2 Gd3 136.8(2) . . ?
N3 Co2 Gd3 131.0(3) . . ?
O1 Co2 Gd1 43.0(2) . . ?
O18 Co2 Gd1 97.7(2) . . ?
O2 Co2 Gd1 45.3(2) . . ?
O3 Co2 Gd1 136.8(2) . . ?
O4 Co2 Gd1 85.5(2) . . ?
N3 Co2 Gd1 129.4(3) . . ?
Gd3 Co2 Gd1 73.03(3) . . ?
O17 Co3 O11 91.6(4) . . ?
O17 Co3 O13 177.5(4) . . ?
O11 Co3 O13 90.4(4) . . ?
O17 Co3 O14 93.2(4) . . ?
O11 Co3 O14 175.2(4) . . ?
O13 Co3 O14 84.8(4) . . ?
O17 Co3 O10 88.7(4) . . ?
O11 Co3 O10 88.5(4) . . ?
O13 Co3 O10 92.8(4) . . ?
O14 Co3 O10 91.0(4) . . ?
O17 Co3 N5 86.0(5) . . ?
O11 Co3 N5 88.0(4) . . ?
O13 Co3 N5 92.7(5) . . ?
O14 Co3 N5 92.9(4) . . ?
O10 Co3 N5 173.5(4) . . ?
O17 Co3 Gd2 44.0(3) . . ?
O11 Co3 Gd2 97.7(3) . . ?
O13 Co3 Gd2 137.1(3) . . ?
O14 Co3 Gd2 85.4(3) . . ?
O10 Co3 Gd2 45.7(3) . . ?
N5 Co3 Gd2 129.5(4) . . ?
O17 Co3 Gd3 97.0(3) . . ?
O11 Co3 Gd3 43.1(2) . . ?
O13 Co3 Gd3 85.5(3) . . ?
O14 Co3 Gd3 135.4(3) . . ?
O10 Co3 Gd3 46.2(3) . . ?
N5 Co3 Gd3 131.0(3) . . ?
Gd2 Co3 Gd3 72.99(3) . . ?
O6 Gd1 O1 143.3(3) . . ?
O6 Gd1 O19 85.6(3) . . ?
O1 Gd1 O19 76.6(3) . . ?
O6 Gd1 O20 77.7(3) . . ?
O1 Gd1 O20 127.4(3) . . ?
O19 Gd1 O20 77.4(3) . . ?
O6 Gd1 O2 77.6(3) . . ?
O1 Gd1 O2 66.8(3) . . ?
O19 Gd1 O2 73.8(3) . . ?
O20 Gd1 O2 143.1(3) . . ?
O6 Gd1 O22 94.4(3) . . ?
O1 Gd1 O22 81.7(3) . . ?
O19 Gd1 O22 142.6(3) . . ?
O20 Gd1 O22 139.2(3) . . ?
O2 Gd1 O22 69.7(3) . . ?
O6 Gd1 O5 142.6(3) . . ?
O1 Gd1 O5 74.0(3) . . ?
O19 Gd1 O5 113.4(3) . . ?
O20 Gd1 O5 75.9(3) . . ?
O2 Gd1 O5 137.2(3) . . ?
O22 Gd1 O5 88.7(3) . . ?
O6 Gd1 O7 66.6(3) . . ?
O1 Gd1 O7 140.6(3) . . ?
O19 Gd1 O7 142.1(3) . . ?
O20 Gd1 O7 72.0(3) . . ?
O2 Gd1 O7 121.1(3) . . ?
O22 Gd1 O7 68.2(3) . . ?
O5 Gd1 O7 80.3(3) . . ?
O6 Gd1 Co1 33.4(2) . . ?
O1 Gd1 Co1 165.9(2) . . ?
O19 Gd1 Co1 112.2(2) . . ?
O20 Gd1 Co1 66.4(2) . . ?
O2 Gd1 Co1 104.18(19) . . ?
O22 Gd1 Co1 85.0(2) . . ?
O5 Gd1 Co1 110.5(2) . . ?
O7 Gd1 Co1 34.05(18) . . ?
O6 Gd1 Co2 110.0(2) . . ?
O1 Gd1 Co2 33.43(18) . . ?
O19 Gd1 Co2 66.8(2) . . ?
O20 Gd1 Co2 142.3(2) . . ?
O2 Gd1 Co2 34.11(18) . . ?
O22 Gd1 Co2 78.27(19) . . ?
O5 Gd1 Co2 107.1(2) . . ?
O7 Gd1 Co2 145.60(18) . . ?
Co1 Gd1 Co2 138.26(4) . . ?
O6 Gd1 Gd3 82.5(2) . . ?
O1 Gd1 Gd3 73.73(19) . . ?
O19 Gd1 Gd3 109.1(2) . . ?
O20 Gd1 Gd3 158.7(2) . . ?
O2 Gd1 Gd3 35.36(18) . . ?
O22 Gd1 Gd3 34.59(19) . . ?
O5 Gd1 Gd3 117.3(2) . . ?
O7 Gd1 Gd3 92.96(18) . . ?
Co1 Gd1 Gd3 92.64(3) . . ?
Co2 Gd1 Gd3 53.39(3) . . ?
O6 Gd1 Gd2 73.5(2) . . ?
O1 Gd1 Gd2 114.9(2) . . ?
O19 Gd1 Gd2 157.1(2) . . ?
O20 Gd1 Gd2 106.7(2) . . ?
O2 Gd1 Gd2 92.01(18) . . ?
O22 Gd1 Gd2 34.4(2) . . ?
O5 Gd1 Gd2 89.3(2) . . ?
O7 Gd1 Gd2 34.68(17) . . ?
Co1 Gd1 Gd2 53.05(3) . . ?
Co2 Gd1 Gd2 110.95(3) . . ?
Gd3 Gd1 Gd2 59.447(15) . . ?
O17 Gd2 O23 146.2(3) . . ?
O17 Gd2 O9 126.0(3) . . ?
O23 Gd2 O9 78.3(3) . . ?
O17 Gd2 O31 76.1(3) . . ?
O23 Gd2 O31 90.9(3) . . ?
O9 Gd2 O31 75.1(3) . . ?
O17 Gd2 O10 67.8(3) . . ?
O23 Gd2 O10 78.8(3) . . ?
O9 Gd2 O10 141.4(3) . . ?
O31 Gd2 O10 74.6(3) . . ?
O17 Gd2 O22 80.0(3) . . ?
O23 Gd2 O22 93.5(3) . . ?
O9 Gd2 O22 141.7(3) . . ?
O31 Gd2 O22 142.9(3) . . ?
O10 Gd2 O22 70.2(3) . . ?
O17 Gd2 O7 136.9(3) . . ?
O23 Gd2 O7 67.0(3) . . ?
O9 Gd2 O7 73.8(3) . . ?
O31 Gd2 O7 144.8(3) . . ?
O10 Gd2 O7 123.4(3) . . ?
O22 Gd2 O7 68.6(3) . . ?
O17 Gd2 O8 73.3(3) . . ?
O23 Gd2 O8 140.0(3) . . ?
O9 Gd2 O8 76.1(3) . . ?
O31 Gd2 O8 111.4(3) . . ?
O10 Gd2 O8 137.9(3) . . ?
O22 Gd2 O8 88.0(3) . . ?
O7 Gd2 O8 76.6(3) . . ?
O17 Gd2 Co3 33.6(2) . . ?
O23 Gd2 Co3 112.6(2) . . ?
O9 Gd2 Co3 140.5(2) . . ?
O31 Gd2 Co3 67.1(2) . . ?
O10 Gd2 Co3 34.9(2) . . ?
O22 Gd2 Co3 77.27(19) . . ?
O7 Gd2 Co3 145.68(18) . . ?
O8 Gd2 Co3 106.7(2) . . ?
O17 Gd2 Co1 165.3(2) . . ?
O23 Gd2 Co1 33.8(2) . . ?
O9 Gd2 Co1 67.1(2) . . ?
O31 Gd2 Co1 116.3(2) . . ?
O10 Gd2 Co1 106.6(2) . . ?
O22 Gd2 Co1 85.2(2) . . ?
O7 Gd2 Co1 34.14(18) . . ?
O8 Gd2 Co1 106.9(2) . . ?
Co3 Gd2 Co1 141.31(4) . . ?
O17 Gd2 Gd3 74.3(2) . . ?
O23 Gd2 Gd3 81.4(2) . . ?
O9 Gd2 Gd3 159.2(2) . . ?
O31 Gd2 Gd3 110.0(2) . . ?
O10 Gd2 Gd3 35.5(2) . . ?
O22 Gd2 Gd3 35.06(18) . . ?
O7 Gd2 Gd3 93.93(18) . . ?
O8 Gd2 Gd3 118.1(2) . . ?
Co3 Gd2 Gd3 53.71(3) . . ?
Co1 Gd2 Gd3 93.23(3) . . ?
O17 Gd2 Gd1 112.5(2) . . ?
O23 Gd2 Gd1 73.2(2) . . ?
O9 Gd2 Gd1 108.9(2) . . ?
O31 Gd2 Gd1 161.8(2) . . ?
O10 Gd2 Gd1 93.5(2) . . ?
O22 Gd2 Gd1 34.43(19) . . ?
O7 Gd2 Gd1 35.11(18) . . ?
O8 Gd2 Gd1 86.7(2) . . ?
Co3 Gd2 Gd1 110.61(3) . . ?
Co1 Gd2 Gd1 53.32(3) . . ?
Gd3 Gd2 Gd1 60.011(15) . . ?
O11 Gd3 O18 85.7(3) . . ?
O11 Gd3 O12 76.3(3) . . ?
O18 Gd3 O12 125.0(3) . . ?
O11 Gd3 O24 126.2(3) . . ?
O18 Gd3 O24 74.6(3) . . ?
O12 Gd3 O24 75.6(3) . . ?
O11 Gd3 O22 81.0(3) . . ?
O18 Gd3 O22 83.5(3) . . ?
O12 Gd3 O22 141.2(3) . . ?
O24 Gd3 O22 142.4(3) . . ?
O11 Gd3 O10 68.2(3) . . ?
O18 Gd3 O10 144.8(3) . . ?
O12 Gd3 O10 72.7(3) . . ?
O24 Gd3 O10 139.9(3) . . ?
O22 Gd3 O10 69.8(3) . . ?
O11 Gd3 O2 141.6(3) . . ?
O18 Gd3 O2 67.5(3) . . ?
O12 Gd3 O2 141.6(3) . . ?
O24 Gd3 O2 74.0(3) . . ?
O22 Gd3 O2 69.5(3) . . ?
O10 Gd3 O2 120.0(3) . . ?
O11 Gd3 O16 138.6(3) . . ?
O18 Gd3 O16 134.2(3) . . ?
O12 Gd3 O16 85.3(3) . . ?
O24 Gd3 O16 82.7(3) . . ?
O22 Gd3 O16 91.7(3) . . ?
O10 Gd3 O16 71.0(3) . . ?
O2 Gd3 O16 68.2(3) . . ?
O11 Gd3 Co3 34.0(2) . . ?
O18 Gd3 Co3 118.36(19) . . ?
O12 Gd3 Co3 66.5(2) . . ?
O24 Gd3 Co3 140.4(2) . . ?
O22 Gd3 Co3 77.1(2) . . ?
O10 Gd3 Co3 34.76(19) . . ?
O2 Gd3 Co3 145.29(18) . . ?
O16 Gd3 Co3 104.57(19) . . ?
O11 Gd3 Co2 117.4(2) . . ?
O18 Gd3 Co2 33.75(18) . . ?
O12 Gd3 Co2 140.0(2) . . ?
O24 Gd3 Co2 66.2(2) . . ?
O22 Gd3 Co2 78.6(2) . . ?
O10 Gd3 Co2 146.8(2) . . ?
O2 Gd3 Co2 34.34(18) . . ?
O16 Gd3 Co2 100.60(19) . . ?
Co3 Gd3 Co2 145.19(4) . . ?
O11 Gd3 Gd2 75.2(2) . . ?
O18 Gd3 Gd2 117.2(2) . . ?
O12 Gd3 Gd2 107.6(2) . . ?
O24 Gd3 Gd2 157.8(2) . . ?
O22 Gd3 Gd2 35.2(2) . . ?
O10 Gd3 Gd2 35.00(19) . . ?
O2 Gd3 Gd2 92.68(18) . . ?
O16 Gd3 Gd2 75.7(2) . . ?
Co3 Gd3 Gd2 53.31(3) . . ?
Co2 Gd3 Gd2 112.19(3) . . ?
O11 Gd3 Gd1 113.6(2) . . ?
O18 Gd3 Gd1 75.21(19) . . ?
O12 Gd3 Gd1 159.2(2) . . ?
O24 Gd3 Gd1 108.8(2) . . ?
O22 Gd3 Gd1 34.8(2) . . ?
O10 Gd3 Gd1 93.5(2) . . ?
O2 Gd3 Gd1 34.94(18) . . ?
O16 Gd3 Gd1 75.33(19) . . ?
Co3 Gd3 Gd1 110.74(3) . . ?
Co2 Gd3 Gd1 53.58(3) . . ?
Gd2 Gd3 Gd1 60.542(17) . . ?
O25 N1 O26 121.2(14) . . ?
O25 N1 O27 120.2(13) . . ?
O26 N1 O27 118.5(12) . . ?
O15 N2 O28 121.9(11) . . ?
O15 N2 O29 118.7(11) . . ?
O28 N2 O29 119.3(10) . . ?
C14 N3 C3 110.8(9) . . ?
C14 N3 C9 109.8(9) . . ?
C3 N3 C9 112.2(9) . . ?
C14 N3 Co2 113.8(7) . . ?
C3 N3 Co2 106.5(7) . . ?
C9 N3 Co2 103.6(7) . . ?
C18 N4 C15 125.6(11) . . ?
C18 N4 C17 103.5(10) . . ?
C15 N4 C17 111.2(10) . . ?
C18 N4 Co1 106.7(8) . . ?
C15 N4 Co1 102.8(7) . . ?
C17 N4 Co1 105.4(7) . . ?
C42 N5 C41 110.1(13) . . ?
C42 N5 C44 113.3(13) . . ?
C41 N5 C44 108.1(13) . . ?
C42 N5 Co3 114.4(9) . . ?
C41 N5 Co3 106.8(10) . . ?
C44 N5 Co3 103.7(8) . . ?
C4 O1 Co2 114.3(6) . . ?
C4 O1 Gd1 139.6(6) . . ?
Co2 O1 Gd1 103.5(3) . . ?
Co2 O2 Gd1 100.6(3) . . ?
Co2 O2 Gd3 99.4(3) . . ?
Gd1 O2 Gd3 109.7(3) . . ?
C6 O3 Co2 126.9(8) . . ?
C1 O4 Co2 126.9(7) . . ?
C16 O6 Co1 113.0(7) . . ?
C16 O6 Gd1 137.0(7) . . ?
Co1 O6 Gd1 103.8(4) . . ?
Co1 O7 Gd2 100.1(3) . . ?
Co1 O7 Gd1 99.7(3) . . ?
Gd2 O7 Gd1 110.2(3) . . ?
C5 O9 Gd2 133.6(8) . . ?
Co3 O10 Gd2 99.4(3) . . ?
Co3 O10 Gd3 99.0(4) . . ?
Gd2 O10 Gd3 109.5(3) . . ?
C45 O11 Co3 110.7(9) . . ?
C45 O11 Gd3 146.3(9) . . ?
Co3 O11 Gd3 102.9(3) . . ?
C21 O12 Gd3 134.0(9) . . ?
C21 O13 Co3 128.1(8) . . ?
C26 O14 Co3 127.8(8) . . ?
C40 O17 Co3 109.0(9) . . ?
C40 O17 Gd2 131.3(9) . . ?
Co3 O17 Gd2 102.5(4) . . ?
C10 O18 Co2 108.6(7) . . ?
C10 O18 Gd3 141.9(7) . . ?
Co2 O18 Gd3 103.3(3) . . ?
C1 O19 Gd1 133.6(8) . . ?
C2 O20 Gd1 134.2(8) . . ?
C2 O21 Co1 128.1(8) . . ?
Gd3 O22 Gd1 110.6(3) . . ?
Gd3 O22 Gd2 109.7(3) . . ?
Gd1 O22 Gd2 111.1(3) . . ?
C50 O23 Co1 108.2(7) . . ?
C50 O23 Gd2 136.2(7) . . ?
Co1 O23 Gd2 102.3(4) . . ?
C6 O24 Gd3 133.8(8) . . ?
C5 O30 Co1 129.1(8) . . ?
C26 O31 Gd2 131.6(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
O20 C2 C7 C27 56.5(16) . . . . ?
O21 C2 C7 C27 -122.3(13) . . . . ?
O20 C2 C7 C28 -60.2(15) . . . . ?
O21 C2 C7 C28 120.9(13) . . . . ?
O20 C2 C7 C38 177.5(12) . . . . ?
O21 C2 C7 C38 -1.3(16) . . . . ?
O24 C6 C8 C24 -1(2) . . . . ?
O3 C6 C8 C24 179.1(13) . . . . ?
O24 C6 C8 C46 -126.8(15) . . . . ?
O3 C6 C8 C46 53.8(19) . . . . ?
O24 C6 C8 C25 117.1(16) . . . . ?
O3 C6 C8 C25 -62.4(19) . . . . ?
O1 C4 C9 N3 38.9(13) . . . . ?
N3 C3 C10 O18 -44.9(12) . . . . ?
C14 C11 C12 C13 175.3(11) . . . . ?
C12 C11 C14 N3 -177.6(10) . . . . ?
N4 C15 C16 O6 33.7(14) . . . . ?
N4 C18 C19 C20 179.9(14) . . . . ?
C18 C19 C20 C49 -66(2) . . . . ?
O12 C21 C23 C22 144.1(14) . . . . ?
O13 C21 C23 C22 -39.7(18) . . . . ?
O12 C21 C23 C34 23.8(19) . . . . ?
O13 C21 C23 C34 -160.1(13) . . . . ?
O12 C21 C23 C33 -96.1(16) . . . . ?
O13 C21 C23 C33 80.1(16) . . . . ?
O19 C1 C29 C31 169.7(13) . . . . ?
O4 C1 C29 C31 -11.2(17) . . . . ?
O19 C1 C29 C30 -70.0(15) . . . . ?
O4 C1 C29 C30 109.2(13) . . . . ?
O19 C1 C29 C32 46.6(17) . . . . ?
O4 C1 C29 C32 -134.3(13) . . . . ?
O31 C26 C35 C51 -172.4(16) . . . . ?
O14 C26 C35 C51 12(2) . . . . ?
O31 C26 C35 C36 59(2) . . . . ?
O14 C26 C35 C36 -116.6(17) . . . . ?
O31 C26 C35 C47 -56(2) . . . . ?
O14 C26 C35 C47 129.2(16) . . . . ?
O9 C5 C37 C52 110(2) . . . . ?
O30 C5 C37 C52 -69(3) . . . . ?
O9 C5 C37 C48 -122(2) . . . . ?
O30 C5 C37 C48 59(3) . . . . ?
O9 C5 C37 C39 -7(3) . . . . ?
O30 C5 C37 C39 174.0(18) . . . . ?
O17 C40 C41 N5 42.1(19) . . . . ?
N5 C42 C43 C53 -178(3) . . . . ?
N5 C44 C45 O11 46(2) . . . . ?
N4 C17 C50 O23 49.7(12) . . . . ?
C42 C43 C53 C54 -175(3) . . . . ?
C11 C14 N3 C3 58.8(13) . . . . ?
C11 C14 N3 C9 -65.7(13) . . . . ?
C11 C14 N3 Co2 178.7(8) . . . . ?
C10 C3 N3 C14 147.8(9) . . . . ?
C10 C3 N3 C9 -89.1(11) . . . . ?
C10 C3 N3 Co2 23.6(10) . . . . ?
C4 C9 N3 C14 -163.5(9) . . . . ?
C4 C9 N3 C3 72.8(12) . . . . ?
C4 C9 N3 Co2 -41.7(10) . . . . ?
C19 C18 N4 C15 -40.4(16) . . . . ?
C19 C18 N4 C17 88.7(11) . . . . ?
C19 C18 N4 Co1 -160.4(8) . . . . ?
C16 C15 N4 C18 -163.4(11) . . . . ?
C16 C15 N4 C17 70.7(12) . . . . ?
C16 C15 N4 Co1 -41.7(11) . . . . ?
C50 C17 N4 C18 83.7(11) . . . . ?
C50 C17 N4 C15 -138.9(10) . . . . ?
C50 C17 N4 Co1 -28.3(11) . . . . ?
C43 C42 N5 C41 70(2) . . . . ?
C43 C42 N5 C44 -51(2) . . . . ?
C43 C42 N5 Co3 -169.3(13) . . . . ?
C40 C41 N5 C42 106.9(16) . . . . ?
C40 C41 N5 C44 -128.8(15) . . . . ?
C40 C41 N5 Co3 -17.8(17) . . . . ?
C45 C44 N5 C42 -159.9(14) . . . . ?
C45 C44 N5 C41 77.8(16) . . . . ?
C45 C44 N5 Co3 -35.3(16) . . . . ?
C9 C4 O1 Co2 -15.9(12) . . . . ?
C9 C4 O1 Gd1 141.9(9) . . . . ?
O18 Co2 O1 C4 -94.9(8) . . . . ?
O2 Co2 O1 C4 176.8(8) . . . . ?
O4 Co2 O1 C4 84.6(8) . . . . ?
N3 Co2 O1 C4 -6.8(8) . . . . ?
Gd3 Co2 O1 C4 -137.7(7) . . . . ?
Gd1 Co2 O1 C4 165.4(9) . . . . ?
O18 Co2 O1 Gd1 99.7(4) . . . . ?
O2 Co2 O1 Gd1 11.4(3) . . . . ?
O4 Co2 O1 Gd1 -80.8(4) . . . . ?
N3 Co2 O1 Gd1 -172.2(4) . . . . ?
Gd3 Co2 O1 Gd1 56.9(3) . . . . ?
O24 C6 O3 Co2 2.0(18) . . . . ?
C8 C6 O3 Co2 -178.6(11) . . . . ?
O19 C1 O4 Co2 -11.1(18) . . . . ?
C29 C1 O4 Co2 169.9(8) . . . . ?
C15 C16 O6 Co1 -7.1(13) . . . . ?
C15 C16 O6 Gd1 139.6(10) . . . . ?
O23 Co1 O6 C16 -102.6(8) . . . . ?
O7 Co1 O6 C16 169.2(8) . . . . ?
O21 Co1 O6 C16 76.6(8) . . . . ?
N4 Co1 O6 C16 -14.2(8) . . . . ?
Gd2 Co1 O6 C16 -145.8(7) . . . . ?
Gd1 Co1 O6 C16 157.3(10) . . . . ?
O23 Co1 O6 Gd1 100.1(4) . . . . ?
O7 Co1 O6 Gd1 11.9(4) . . . . ?
O21 Co1 O6 Gd1 -80.6(4) . . . . ?
N4 Co1 O6 Gd1 -171.5(4) . . . . ?
Gd2 Co1 O6 Gd1 56.9(3) . . . . ?
O6 Co1 O7 Gd2 101.5(4) . . . . ?
O23 Co1 O7 Gd2 12.7(3) . . . . ?
O30 Co1 O7 Gd2 -80.2(4) . . . . ?
O21 Co1 O7 Gd2 -166.0(3) . . . . ?
Gd1 Co1 O7 Gd2 112.7(4) . . . . ?
O6 Co1 O7 Gd1 -11.2(3) . . . . ?
O23 Co1 O7 Gd1 -100.1(3) . . . . ?
O30 Co1 O7 Gd1 167.1(3) . . . . ?
O21 Co1 O7 Gd1 81.3(3) . . . . ?
Gd2 Co1 O7 Gd1 -112.7(4) . . . . ?
O30 C5 O9 Gd2 3.0(19) . . . . ?
C37 C5 O9 Gd2 -175.8(14) . . . . ?
C44 C45 O11 Co3 -31.3(17) . . . . ?
C44 C45 O11 Gd3 155.2(12) . . . . ?
O13 C21 O12 Gd3 0(2) . . . . ?
C23 C21 O12 Gd3 175.5(9) . . . . ?
O12 C21 O13 Co3 -8.8(18) . . . . ?
C23 C21 O13 Co3 175.3(9) . . . . ?
O31 C26 O14 Co3 13(2) . . . . ?
C35 C26 O14 Co3 -172.9(12) . . . . ?
C41 C40 O17 Co3 -47.4(15) . . . . ?
C41 C40 O17 Gd2 -174.8(10) . . . . ?
O11 Co3 O17 C40 118.3(9) . . . . ?
O14 Co3 O17 C40 -62.3(10) . . . . ?
O10 Co3 O17 C40 -153.2(10) . . . . ?
N5 Co3 O17 C40 30.4(10) . . . . ?
Gd2 Co3 O17 C40 -142.3(11) . . . . ?
Gd3 Co3 O17 C40 161.2(9) . . . . ?
O11 Co3 O17 Gd2 -99.4(4) . . . . ?
O14 Co3 O17 Gd2 80.0(4) . . . . ?
O10 Co3 O17 Gd2 -10.9(4) . . . . ?
N5 Co3 O17 Gd2 172.7(5) . . . . ?
Gd3 Co3 O17 Gd2 -56.5(3) . . . . ?
C3 C10 O18 Co2 44.0(10) . . . . ?
C3 C10 O18 Gd3 -170.8(8) . . . . ?
O1 Co2 O18 C10 61.3(7) . . . . ?
O2 Co2 O18 C10 148.5(7) . . . . ?
O3 Co2 O18 C10 -118.4(7) . . . . ?
N3 Co2 O18 C10 -25.4(7) . . . . ?
Gd3 Co2 O18 C10 158.8(9) . . . . ?
Gd1 Co2 O18 C10 104.0(7) . . . . ?
O1 Co2 O18 Gd3 -97.5(4) . . . . ?
O2 Co2 O18 Gd3 -10.3(3) . . . . ?
O3 Co2 O18 Gd3 82.8(4) . . . . ?
N3 Co2 O18 Gd3 175.8(4) . . . . ?
Gd1 Co2 O18 Gd3 -54.7(3) . . . . ?
O4 C1 O19 Gd1 7.1(19) . . . . ?
C29 C1 O19 Gd1 -173.9(8) . . . . ?
O21 C2 O20 Gd1 -4.7(19) . . . . ?
C7 C2 O20 Gd1 176.6(8) . . . . ?
O20 C2 O21 Co1 -5.2(18) . . . . ?
C7 C2 O21 Co1 173.6(8) . . . . ?
C17 C50 O23 Co1 -46.5(11) . . . . ?
C17 C50 O23 Gd2 -178.5(8) . . . . ?
O6 Co1 O23 C50 110.7(8) . . . . ?
O7 Co1 O23 C50 -161.3(8) . . . . ?
O30 Co1 O23 C50 -68.5(8) . . . . ?
N4 Co1 O23 C50 24.6(8) . . . . ?
Gd2 Co1 O23 C50 -148.2(9) . . . . ?
Gd1 Co1 O23 C50 153.0(7) . . . . ?
O6 Co1 O23 Gd2 -101.1(4) . . . . ?
O7 Co1 O23 Gd2 -13.1(4) . . . . ?
O30 Co1 O23 Gd2 79.7(4) . . . . ?
N4 Co1 O23 Gd2 172.8(4) . . . . ?
Gd1 Co1 O23 Gd2 -58.8(3) . . . . ?
O3 C6 O24 Gd3 1(2) . . . . ?
C8 C6 O24 Gd3 -177.9(11) . . . . ?
O9 C5 O30 Co1 4.7(19) . . . . ?
C37 C5 O30 Co1 -176.5(14) . . . . ?
O14 C26 O31 Gd2 -13(2) . . . . ?
C35 C26 O31 Gd2 172.5(12) . . . . ?

_refine_diff_density_max         1.210
_refine_diff_density_min         -1.042
_refine_diff_density_rms         0.326

_shelxl_version_number           2013-4

_database_code_depnum_ccdc_archive 'CCDC 991804'
#######################################################################
#
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#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
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#  data retrieval see:
#                         www.ccdc.cam.ac.uk
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data_Complex4

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C54 H105 Co3 Dy3 N3 O25, 2(N O3), 2(C2 H3 N)'
_chemical_formula_sum            'C58 H111 Co3 Dy3 N7 O31'
_chemical_formula_weight         2066.71

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

_space_group_crystal_system      ?
_space_group_IT_number           169
_space_group_name_H-M_alt        'P 61'
_space_group_name_Hall           'P 61'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-y, x-y, z+1/3'
'-x+y, -x, z+2/3'
'x-y, x, z+1/6'
'y, -x+y, z+5/6'

_cell_length_a                   16.173(5)
_cell_length_b                   16.173(5)
_cell_length_c                   54.305(5)
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 90.000(5)
_cell_angle_gamma                120.000(5)
_cell_volume                     12301(9)
_cell_formula_units_Z            6
_cell_measurement_temperature    110(2)
_cell_measurement_reflns_used    22131
_cell_measurement_theta_min      2.37
_cell_measurement_theta_max      29.47

_exptl_crystal_description       Block
_exptl_crystal_colour            purple
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.674
_exptl_crystal_F_000             6209.6
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.26
_exptl_absorpt_coefficient_mu    3.371
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.265
_exptl_absorpt_correction_T_max  0.416
_exptl_absorpt_process_details   multi-scan

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      110(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            296873
_diffrn_reflns_av_unetI/netI     0.0432
_diffrn_reflns_av_R_equivalents  0.0662
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -75
_diffrn_reflns_limit_l_max       75
_diffrn_reflns_theta_min         2.089
_diffrn_reflns_theta_max         29.606
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             22131
_reflns_number_gt                20764
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.977
_reflns_Friedel_fraction_max     0.995
_reflns_Friedel_fraction_full    0.999

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 Refined as a 2-component twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+0.9469P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 9105 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   0.067(3)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         22131
_refine_ls_number_parameters     824
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0570
_refine_ls_R_factor_gt           0.0522
_refine_ls_wR_factor_ref         0.1060
_refine_ls_wR_factor_gt          0.1044
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_restrained_S_all      1.064
_refine_ls_shift/su_max          0.026
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.34058(3) -0.11735(3) 0.50518(2) 0.01147(10) Uani 1 1 d . . . . .
Dy3 Dy 0.44910(3) 0.15919(3) 0.50543(2) 0.00999(9) Uani 1 1 d . . . . .
Dy2 Dy 0.17291(3) -0.00841(3) 0.50381(2) 0.01037(10) Uani 1 1 d . . . . .
Co3 Co 0.55875(10) 0.04498(10) 0.48830(3) 0.0115(3) Uani 1 1 d . . . . .
Co2 Co 0.28951(10) 0.21923(10) 0.48960(3) 0.0109(3) Uani 1 1 d . . . . .
Co1 Co 0.17058(10) -0.15717(10) 0.54557(3) 0.0120(3) Uani 1 1 d . . . . .
O20 O 0.4787(6) 0.0347(5) 0.51558(14) 0.0116(15) Uani 1 1 d . . . . .
O23 O 0.2995(5) 0.1457(5) 0.51531(14) 0.0109(3) Uani 1 1 d . . . . .
O25 O 0.2590(6) -0.2070(6) 0.46868(16) 0.0180(17) Uani 1 1 d . . . . .
O5 O 0.1863(5) 0.2240(5) 0.50509(16) 0.0123(14) Uani 1 1 d . . . . .
O9 O 0.6706(5) 0.1477(5) 0.50310(18) 0.0143(15) Uani 1 1 d . . . . .
O18 O 0.2028(6) 0.1034(6) 0.47391(15) 0.0155(16) Uani 1 1 d . . . . .
O10 O 0.6115(6) 0.2386(6) 0.51671(16) 0.0164(16) Uani 1 1 d . . . . .
O24 O 0.1798(5) -0.1491(5) 0.51072(14) 0.0119(15) Uani 1 1 d . . . . .
O22 O 0.1129(6) -0.0991(6) 0.46563(15) 0.0167(17) Uani 1 1 d . . . . .
O17 O 0.3964(6) 0.2215(6) 0.47439(15) 0.0151(16) Uani 1 1 d . . . . .
O11 O 0.4858(6) 0.3113(6) 0.51973(16) 0.0194(17) Uani 1 1 d . . . . .
O15 O 0.5280(6) 0.1329(6) 0.47361(15) 0.0144(16) Uani 1 1 d . . . . .
N3 N 0.2815(9) 0.2868(10) 0.4603(2) 0.0334(19) Uani 1 1 d . . . . .
O21 O 0.4260(8) 0.1272(8) 0.54949(17) 0.034(2) Uani 1 1 d . . . . .
O12 O 0.3680(5) 0.3359(5) 0.50673(16) 0.0113(15) Uani 1 1 d . . . . .
O19 O 0.3219(5) 0.0123(5) 0.49048(15) 0.0113(15) Uani 1 1 d . . . . .
O6 O 0.0999(6) 0.0739(6) 0.51966(17) 0.0208(18) Uani 1 1 d . . . . .
O3 O 0.5990(7) -0.0362(6) 0.5038(2) 0.0278(12) Uani 1 1 d . . . . .
O1 O 0.2539(6) -0.2758(5) 0.51815(16) 0.0164(16) Uani 1 1 d . . . . .
O4 O 0.4574(6) -0.1498(6) 0.51982(17) 0.0191(18) Uani 1 1 d . . . . .
O14 O 0.1857(6) -0.0334(5) 0.54477(15) 0.0141(16) Uani 1 1 d . . . . .
O30 O -0.0629(7) 0.5578(7) 0.4780(2) 0.033(2) Uani 1 1 d . . . . .
O16 O 0.4509(6) -0.0600(5) 0.47417(15) 0.0146(16) Uani 1 1 d . . . . .
O13 O 0.3054(6) -0.1022(6) 0.54597(16) 0.0194(17) Uani 1 1 d . . . . .
O2 O 0.1516(6) -0.2840(6) 0.54706(15) 0.0164(16) Uani 1 1 d . . . . .
O8 O 0.0342(6) -0.2160(6) 0.54378(16) 0.0177(17) Uani 1 1 d . . . . .
O27 O 0.2968(7) 0.2703(7) 0.59965(17) 0.026(2) Uani 1 1 d . . . . .
O26 O 0.2993(8) 0.2384(7) 0.56099(16) 0.028(2) Uani 1 1 d . . . . .
O7 O 0.0183(6) -0.1308(6) 0.51314(15) 0.0148(16) Uani 1 1 d . . . . .
C14 C 0.1092(11) 0.2737(10) 0.5458(3) 0.034(4) Uani 1 1 d . . . . .
H14A H 0.1397 0.2567 0.5584 0.051 Uiso 1 1 calc R U . . .
H14B H 0.0686 0.2939 0.5533 0.051 Uiso 1 1 calc R U . . .
H14C H 0.1569 0.3249 0.5360 0.051 Uiso 1 1 calc R U . . .
O31 O 0.0259(7) 0.7103(6) 0.48221(19) 0.027(2) Uani 1 1 d . . . . .
N2 N 0.6263(7) 0.0488(7) 0.45763(18) 0.0147(19) Uani 1 1 d . . . . .
C24 C 0.6779(7) 0.2214(8) 0.5139(2) 0.013(2) Uani 1 1 d . . . . .
C52 C 0.5744(9) -0.0521(10) 0.4486(3) 0.028(3) Uani 1 1 d . . . . .
H52A H 0.5968 -0.0893 0.4574 0.034 Uiso 1 1 calc R U . . .
H52B H 0.5874 -0.0535 0.4312 0.034 Uiso 1 1 calc R U . . .
N1 N 0.1778(7) -0.1432(7) 0.58174(19) 0.019(2) Uani 1 1 d . . . . .
C50 C 0.6174(10) 0.1163(11) 0.4411(3) 0.028(3) Uani 1 1 d . . . . .
H50A H 0.6111 0.0940 0.4243 0.034 Uiso 1 1 calc R U . . .
H50B H 0.6749 0.1782 0.4422 0.034 Uiso 1 1 calc R U . . .
C38 C 0.1835(12) 0.1183(10) 0.4497(3) 0.033(3) Uani 1 1 d . . . . .
H38A H 0.1191 0.0698 0.4452 0.040 Uiso 1 1 calc R U . . .
H38B H 0.2275 0.1131 0.4385 0.040 Uiso 1 1 calc R U . . .
C46 C 0.1720(11) -0.0027(9) 0.5676(2) 0.026(3) Uani 1 1 d . . . . .
H46A H 0.1248 0.0172 0.5661 0.031 Uiso 1 1 calc R U . . .
H46B H 0.2314 0.0519 0.5730 0.031 Uiso 1 1 calc R U . . .
C49 C 0.7280(10) 0.0772(14) 0.4614(3) 0.038(2) Uani 1 1 d . . . . .
H49A H 0.7305 0.0342 0.4735 0.046 Uiso 1 1 calc R U . . .
H49B H 0.7603 0.1406 0.4686 0.046 Uiso 1 1 calc R U . . .
O29 O 0.0858(8) 0.6272(8) 0.4688(3) 0.050(3) Uani 1 1 d . . . . .
C27 C -0.1226(9) -0.2672(9) 0.5288(3) 0.0254(16) Uani 1 1 d . . . . .
O28 O 0.3954(9) 0.2260(10) 0.5868(2) 0.047(3) Uani 1 1 d . . . . .
C15 C 0.0042(13) 0.2187(12) 0.5090(3) 0.046(4) Uani 1 1 d . . . . .
H15A H -0.0130 0.2629 0.5157 0.069 Uiso 1 1 calc R U . . .
H15B H -0.0518 0.1636 0.5028 0.069 Uiso 1 1 calc R U . . .
H15C H 0.0492 0.2488 0.4959 0.069 Uiso 1 1 calc R U . . .
C11 C 0.1178(8) 0.1577(9) 0.5172(2) 0.0185(14) Uani 1 1 d . . . . .
C48 C 0.7838(10) 0.0780(14) 0.4391(3) 0.038(2) Uani 1 1 d . . . . .
H48A H 0.7902 0.1277 0.4279 0.046 Uiso 1 1 calc R U . . .
H48B H 0.7483 0.0174 0.4306 0.046 Uiso 1 1 calc R U . . .
C35 C 0.3686(11) 0.3133(12) 0.4455(3) 0.0334(19) Uani 1 1 d . . . . .
H35A H 0.3523 0.3067 0.4282 0.040 Uiso 1 1 calc R U . . .
H35B H 0.4152 0.3797 0.4486 0.040 Uiso 1 1 calc R U . . .
C19 C 0.4911(11) 0.4582(9) 0.5310(3) 0.0302(19) Uani 1 1 d . . . . .
C53 C 0.4667(9) -0.0958(10) 0.4526(3) 0.026(3) Uani 1 1 d . . . . .
H53A H 0.4389 -0.0801 0.4388 0.032 Uiso 1 1 calc R U . . .
H53B H 0.4367 -0.1647 0.4536 0.032 Uiso 1 1 calc R U . . .
C37 C 0.1936(10) 0.2145(9) 0.4474(3) 0.026(3) Uani 1 1 d . . . . .
H37A H 0.1972 0.2314 0.4301 0.032 Uiso 1 1 calc R U . . .
H37B H 0.1382 0.2138 0.4545 0.032 Uiso 1 1 calc R U . . .
C43 C 0.3336(9) -0.1166(10) 0.5694(2) 0.025(3) Uani 1 1 d . . . . .
H43A H 0.4014 -0.0736 0.5717 0.030 Uiso 1 1 calc R U . . .
H43B H 0.3210 -0.1817 0.5708 0.030 Uiso 1 1 calc R U . . .
C17 C 0.5662(10) 0.4659(11) 0.5496(3) 0.033(3) Uani 1 1 d . . . . .
H17A H 0.6103 0.4514 0.5416 0.050 Uiso 1 1 calc R U . . .
H17B H 0.5352 0.4215 0.5628 0.050 Uiso 1 1 calc R U . . .
H17C H 0.6002 0.5296 0.5561 0.050 Uiso 1 1 calc R U . . .
C30 C -0.1661(8) -0.2611(8) 0.5041(3) 0.0254(16) Uani 1 1 d . . . . .
H30A H -0.1344 -0.2733 0.4908 0.038 Uiso 1 1 calc R U . . .
H30B H -0.1581 -0.1985 0.5022 0.038 Uiso 1 1 calc R U . . .
H30C H -0.2329 -0.3078 0.5038 0.038 Uiso 1 1 calc R U . . .
C18 C 0.4143(11) 0.4724(9) 0.5431(3) 0.0302(19) Uani 1 1 d . . . . .
H18A H 0.3778 0.4207 0.5543 0.045 Uiso 1 1 calc R U . . .
H18B H 0.3729 0.4740 0.5307 0.045 Uiso 1 1 calc R U . . .
H18C H 0.4438 0.5316 0.5520 0.045 Uiso 1 1 calc R U . . .
C5 C 0.6288(9) -0.1968(9) 0.5066(3) 0.0278(12) Uani 1 1 d . . . . .
H5A H 0.6472 -0.2409 0.5128 0.042 Uiso 1 1 calc R U . . .
H5B H 0.6821 -0.1453 0.4982 0.042 Uiso 1 1 calc R U . . .
H5C H 0.5768 -0.2293 0.4952 0.042 Uiso 1 1 calc R U . . .
C33 C 0.2680(11) 0.4306(10) 0.4456(3) 0.028(3) Uani 1 1 d . . . . .
H33A H 0.2120 0.3908 0.4357 0.034 Uiso 1 1 calc R U . . .
H33B H 0.3240 0.4544 0.4351 0.034 Uiso 1 1 calc R U . . .
C28 C -0.1446(9) -0.3684(9) 0.5333(3) 0.0254(16) Uani 1 1 d . . . . .
H28A H -0.1216 -0.3727 0.5493 0.038 Uiso 1 1 calc R U . . .
H28B H -0.1137 -0.3860 0.5209 0.038 Uiso 1 1 calc R U . . .
H28C H -0.2123 -0.4109 0.5325 0.038 Uiso 1 1 calc R U . . .
C44 C 0.2794(15) -0.098(2) 0.5879(3) 0.075(8) Uani 1 1 d . . . . .
H44A H 0.3057 -0.0300 0.5895 0.089 Uiso 1 1 calc R U . . .
H44B H 0.2862 -0.1226 0.6037 0.089 Uiso 1 1 calc R U . . .
C47 C 0.8834(10) 0.0949(13) 0.4453(3) 0.038(2) Uani 1 1 d . . . . .
H47A H 0.9157 0.1506 0.4558 0.046 Uiso 1 1 calc R U . . .
H47B H 0.9200 0.1083 0.4302 0.046 Uiso 1 1 calc R U . . .
C51 C 0.5315(9) 0.1265(11) 0.4477(2) 0.025(3) Uani 1 1 d . . . . .
H51A H 0.5373 0.1834 0.4401 0.029 Uiso 1 1 calc R U . . .
H51B H 0.4734 0.0716 0.4417 0.029 Uiso 1 1 calc R U . . .
N5 N 0.0155(7) 0.6312(8) 0.4764(2) 0.026(2) Uani 1 1 d . . . . .
C16 C 0.4447(8) 0.3581(8) 0.5180(2) 0.018(2) Uani 1 1 d . . . . .
C13 C -0.0264(8) 0.1049(9) 0.5445(2) 0.0185(14) Uani 1 1 d . . . . .
H13A H 0.0033 0.0904 0.5578 0.028 Uiso 1 1 calc R U . . .
H13B H -0.0599 0.0498 0.5341 0.028 Uiso 1 1 calc R U . . .
H13C H -0.0707 0.1224 0.5510 0.028 Uiso 1 1 calc R U . . .
C9 C 0.1912(9) -0.3189(9) 0.5340(2) 0.020(2) Uani 1 1 d . . . . .
N6 N 0.3300(8) 0.2456(7) 0.5823(2) 0.020(2) Uani 1 1 d . . . . .
C7 C 0.5394(12) -0.2367(12) 0.5452(3) 0.039(4) Uani 1 1 d . . . . .
H7A H 0.4790 -0.2806 0.5379 0.058 Uiso 1 1 calc R U . . .
H7B H 0.5290 -0.2088 0.5596 0.058 Uiso 1 1 calc R U . . .
H7C H 0.5722 -0.2702 0.5497 0.058 Uiso 1 1 calc R U . . .
C12 C 0.0499(8) 0.1878(9) 0.5294(2) 0.0185(14) Uani 1 1 d . . . . .
C26 C -0.0141(9) -0.1980(9) 0.5285(2) 0.018(2) Uani 1 1 d . . . . .
C34 C 0.2751(11) 0.3728(10) 0.4666(2) 0.025(3) Uani 1 1 d . . . . .
H34A H 0.3309 0.4149 0.4763 0.031 Uiso 1 1 calc R U . . .
H34B H 0.2197 0.3528 0.4771 0.031 Uiso 1 1 calc R U . . .
C8 C 0.5990(10) -0.1590(10) 0.5269(3) 0.0278(12) Uani 1 1 d . . . . .
C10 C 0.5455(10) -0.1116(9) 0.5163(3) 0.0278(12) Uani 1 1 d . . . . .
C22 C 0.7752(9) 0.2872(9) 0.5251(3) 0.0238(15) Uani 1 1 d . . . . .
C29 C -0.1612(10) -0.2320(12) 0.5494(3) 0.037(4) Uani 1 1 d . . . . .
H29A H -0.2288 -0.2587 0.5473 0.055 Uiso 1 1 calc R U . . .
H29B H -0.1303 -0.1636 0.5488 0.055 Uiso 1 1 calc R U . . .
H29C H -0.1488 -0.2514 0.5650 0.055 Uiso 1 1 calc R U . . .
C23 C 0.8014(9) 0.2289(9) 0.5428(3) 0.0238(15) Uani 1 1 d . . . . .
H23A H 0.7997 0.1765 0.5340 0.036 Uiso 1 1 calc R U . . .
H23B H 0.7563 0.2048 0.5561 0.036 Uiso 1 1 calc R U . . .
H23C H 0.8644 0.2693 0.5492 0.036 Uiso 1 1 calc R U . . .
C2 C 0.1613(14) -0.4239(11) 0.5391(4) 0.048(2) Uani 1 1 d . . . . .
C25 C 0.7749(11) 0.3690(11) 0.5383(3) 0.039(4) Uani 1 1 d . . . . .
H25A H 0.8380 0.4127 0.5442 0.059 Uiso 1 1 calc R U . . .
H25B H 0.7316 0.3449 0.5520 0.059 Uiso 1 1 calc R U . . .
H25C H 0.7547 0.4016 0.5272 0.059 Uiso 1 1 calc R U . . .
C41 C 0.0282(11) -0.3015(10) 0.5939(3) 0.031(5) Uani 0.99(6) 1 d . . . . .
H41A H 0.0200 -0.3290 0.5776 0.038 Uiso 1 1 calc R U . . .
H41B H -0.0071 -0.2675 0.5944 0.038 Uiso 1 1 calc R U . . .
C42 C 0.1302(14) -0.2319(12) 0.5975(3) 0.048(4) Uani 1 1 d . . . . .
H42A H 0.1652 -0.2656 0.5952 0.057 Uiso 1 1 calc R U . . .
H42B H 0.1386 -0.2115 0.6145 0.057 Uiso 1 1 calc R U . . .
C6 C 0.6910(10) -0.0836(9) 0.5411(3) 0.0278(12) Uani 1 1 d . . . . .
H6A H 0.6734 -0.0532 0.5535 0.042 Uiso 1 1 calc R U . . .
H6B H 0.7344 -0.0364 0.5297 0.042 Uiso 1 1 calc R U . . .
H6C H 0.7214 -0.1152 0.5486 0.042 Uiso 1 1 calc R U . . .
C31 C 0.2731(14) 0.5906(13) 0.4376(4) 0.047(4) Uani 1 1 d . . . . .
H31A H 0.3363 0.6194 0.4308 0.071 Uiso 1 1 calc R U . . .
H31B H 0.2638 0.6388 0.4453 0.071 Uiso 1 1 calc R U . . .
H31C H 0.2270 0.5604 0.4247 0.071 Uiso 1 1 calc R U . . .
C32 C 0.2607(16) 0.5163(14) 0.4567(3) 0.048(5) Uani 1 1 d . . . . .
H32A H 0.1989 0.4918 0.4645 0.058 Uiso 1 1 calc R U . . .
H32B H 0.3093 0.5470 0.4693 0.058 Uiso 1 1 calc R U . . .
C55 C 0.7177(12) 0.3921(12) 0.4580(3) 0.043(4) Uani 1 1 d . . . . .
C54 C 0.6937(15) 0.4365(15) 0.4777(4) 0.058(5) Uani 1 1 d . . . . .
H54A H 0.6576 0.3897 0.4901 0.087 Uiso 1 1 calc R U . . .
H54B H 0.6563 0.4626 0.4713 0.087 Uiso 1 1 calc R U . . .
H54C H 0.7512 0.4867 0.4849 0.087 Uiso 1 1 calc R U . . .
N4 N 0.7408(14) 0.3588(11) 0.4427(3) 0.059(5) Uani 1 1 d . . . . .
C1 C 0.0694(14) -0.4747(11) 0.5510(4) 0.048(2) Uani 1 1 d . . . . .
H1A H 0.0726 -0.4461 0.5667 0.073 Uiso 1 1 calc R U . . .
H1B H 0.0522 -0.5402 0.5533 0.073 Uiso 1 1 calc R U . . .
H1C H 0.0223 -0.4715 0.5409 0.073 Uiso 1 1 calc R U . . .
C3 C 0.2323(14) -0.4227(11) 0.5575(4) 0.048(2) Uani 1 1 d . . . . .
H3A H 0.2271 -0.3953 0.5727 0.073 Uiso 1 1 calc R U . . .
H3B H 0.2958 -0.3852 0.5510 0.073 Uiso 1 1 calc R U . . .
H3C H 0.2190 -0.4868 0.5603 0.073 Uiso 1 1 calc R U . . .
C4 C 0.1661(14) -0.4730(11) 0.5158(4) 0.048(2) Uani 1 1 d . . . . .
H4A H 0.1605 -0.5333 0.5199 0.073 Uiso 1 1 calc R U . . .
H4B H 0.2260 -0.4335 0.5077 0.073 Uiso 1 1 calc R U . . .
H4C H 0.1148 -0.4832 0.5050 0.073 Uiso 1 1 calc R U . . .
C45 C 0.1391(17) -0.0809(14) 0.5865(3) 0.051(5) Uani 1 1 d . . . . .
H45A H 0.1589 -0.0528 0.6027 0.061 Uiso 1 1 calc R U . . .
H45B H 0.0699 -0.1182 0.5863 0.061 Uiso 1 1 calc R U . . .
C39 C -0.1120(13) -0.4572(13) 0.6083(3) 0.053(5) Uani 1 1 d . . . . .
H39A H -0.1543 -0.4317 0.6088 0.079 Uiso 1 1 calc R U . . .
H39B H -0.1293 -0.5045 0.6210 0.079 Uiso 1 1 calc R U . . .
H39C H -0.1167 -0.4859 0.5925 0.079 Uiso 1 1 calc R U . . .
C40 C -0.0148(17) -0.3810(14) 0.6122(3) 0.066(7) Uani 1 1 d . . . . .
H40A H 0.0256 -0.4094 0.6131 0.079 Uiso 1 1 calc R U . . .
H40B H -0.0121 -0.3532 0.6282 0.079 Uiso 1 1 calc R U . . .
C36 C 0.4098(11) 0.2564(12) 0.4511(3) 0.0334(19) Uani 1 1 d . . . . .
H36A H 0.3840 0.2029 0.4397 0.040 Uiso 1 1 calc R U . . .
H36B H 0.4779 0.2940 0.4481 0.040 Uiso 1 1 calc R U . . .
C89 C 1.0202(16) 0.4435(18) 0.4177(4) 0.062(6) Uani 1 1 d . . . . .
C78 C 0.8464(9) 0.3256(9) 0.5040(3) 0.0238(15) Uani 1 1 d . . . . .
H78A H 0.8328 0.3653 0.4937 0.036 Uiso 1 1 calc R U . . .
H78B H 0.8417 0.2733 0.4946 0.036 Uiso 1 1 calc R U . . .
H78C H 0.9099 0.3624 0.5106 0.036 Uiso 1 1 calc R U . . .
C79 C 0.5400(11) 0.5302(9) 0.5112(3) 0.0302(19) Uani 1 1 d . . . . .
H79A H 0.5580 0.5926 0.5173 0.045 Uiso 1 1 calc R U . . .
H79B H 0.4976 0.5155 0.4975 0.045 Uiso 1 1 calc R U . . .
H79C H 0.5961 0.5289 0.5060 0.045 Uiso 1 1 calc R U . . .
C80 C 0.881(2) 0.004(3) 0.4590(6) 0.109(12) Uani 1 1 d . . . . .
H80A H 0.8586 0.0000 0.4756 0.164 Uiso 1 1 calc R U . . .
H80B H 0.9440 0.0125 0.4593 0.164 Uiso 1 1 calc R U . . .
H80C H 0.8387 -0.0534 0.4503 0.164 Uiso 1 1 calc R U . . .
N78 N 1.0486(16) 0.476(2) 0.3982(5) 0.106(10) Uani 1 1 d . . . . .
C90 C 0.9823(14) 0.4090(14) 0.4425(3) 0.050(5) Uani 1 1 d . . . . .
H90A H 1.0016 0.4625 0.4533 0.075 Uiso 1 1 calc R U . . .
H90B H 1.0066 0.3695 0.4485 0.075 Uiso 1 1 calc R U . . .
H90C H 0.9138 0.3725 0.4418 0.075 Uiso 1 1 calc R 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 O16 2.286(8) . ?
Dy1 O13 2.330(9) . ?
Dy1 O1 2.331(8) . ?
Dy1 O4 2.339(8) . ?
Dy1 O19 2.401(8) . ?
Dy1 O24 2.404(7) . ?
Dy1 O25 2.421(9) . ?
Dy1 O20 2.422(8) . ?
Dy1 Co3 3.3045(18) . ?
Dy1 Co1 3.3186(17) . ?
Dy1 Dy3 3.9031(14) . ?
Dy1 Dy2 3.9040(14) . ?
Dy3 O15 2.311(8) . ?
Dy3 O17 2.333(8) . ?
Dy3 O11 2.356(8) . ?
Dy3 O20 2.355(7) . ?
Dy3 O10 2.356(8) . ?
Dy3 O19 2.376(8) . ?
Dy3 O23 2.380(7) . ?
Dy3 O21 2.437(9) . ?
Dy3 Co3 3.2708(18) . ?
Dy3 Co2 3.2940(18) . ?
Dy3 Dy2 3.8988(14) . ?
Dy2 O14 2.288(8) . ?
Dy2 O18 2.295(8) . ?
Dy2 O7 2.341(8) . ?
Dy2 O6 2.342(8) . ?
Dy2 O24 2.363(7) . ?
Dy2 O19 2.373(8) . ?
Dy2 O23 2.385(8) . ?
Dy2 O22 2.443(8) . ?
Dy2 Co2 3.2809(18) . ?
Dy2 Co1 3.2925(17) . ?
Co3 O16 1.885(8) . ?
Co3 O15 1.900(8) . ?
Co3 O9 1.917(8) . ?
Co3 O20 1.920(8) . ?
Co3 O3 1.927(9) . ?
Co3 N2 1.976(9) . ?
Co2 O18 1.891(8) . ?
Co2 O23 1.893(8) . ?
Co2 O17 1.899(8) . ?
Co2 O5 1.905(7) . ?
Co2 O12 1.909(7) . ?
Co2 N3 1.971(12) . ?
Co1 O14 1.892(8) . ?
Co1 O24 1.898(8) . ?
Co1 O13 1.898(8) . ?
Co1 O8 1.919(8) . ?
Co1 O2 1.918(8) . ?
Co1 N1 1.974(11) . ?
O5 C11 1.273(14) . ?
O9 C24 1.279(14) . ?
O18 C38 1.401(16) . ?
O10 C24 1.246(13) . ?
O17 C36 1.359(16) . ?
O11 C16 1.236(15) . ?
O15 C51 1.414(15) . ?
N3 C34 1.486(18) . ?
N3 C35 1.486(18) . ?
N3 C37 1.488(19) . ?
O12 C16 1.263(15) . ?
O6 C11 1.243(14) . ?
O3 C10 1.282(17) . ?
O1 C9 1.245(15) . ?
O4 C10 1.251(16) . ?
O14 C46 1.394(15) . ?
O30 N5 1.233(13) . ?
O16 C53 1.387(14) . ?
O13 C43 1.408(15) . ?
O2 C9 1.262(15) . ?
O8 C26 1.270(14) . ?
O27 N6 1.244(13) . ?
O26 N6 1.243(14) . ?
O7 C26 1.258(15) . ?
C14 C12 1.520(18) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
O31 N5 1.246(14) . ?
N2 C50 1.474(17) . ?
N2 C49 1.484(16) . ?
N2 C52 1.496(16) . ?
C24 C22 1.518(16) . ?
C52 C53 1.533(18) . ?
C52 H52A 0.9700 . ?
C52 H52B 0.9700 . ?
N1 C45 1.45(2) . ?
N1 C44 1.47(2) . ?
N1 C42 1.51(2) . ?
C50 C51 1.520(18) . ?
C50 H50A 0.9700 . ?
C50 H50B 0.9700 . ?
C38 C37 1.487(19) . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C46 C45 1.50(2) . ?
C46 H46A 0.9700 . ?
C46 H46B 0.9700 . ?
C49 C48 1.51(2) . ?
C49 H49A 0.9700 . ?
C49 H49B 0.9700 . ?
O29 N5 1.240(16) . ?
C27 C28 1.512(19) . ?
C27 C29 1.52(2) . ?
C27 C26 1.538(17) . ?
C27 C30 1.54(2) . ?
O28 N6 1.271(15) . ?
C15 C12 1.55(2) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C11 C12 1.554(16) . ?
C48 C47 1.529(19) . ?
C48 H48A 0.9700 . ?
C48 H48B 0.9700 . ?
C35 C36 1.412(19) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C19 C79 1.49(2) . ?
C19 C18 1.52(2) . ?
C19 C17 1.54(2) . ?
C19 C16 1.572(17) . ?
C53 H53A 0.9700 . ?
C53 H53B 0.9700 . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C43 C44 1.46(2) . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C5 C8 1.46(2) . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C33 C34 1.515(18) . ?
C33 C32 1.57(2) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C44 H44A 0.9700 . ?
C44 H44B 0.9700 . ?
C47 C80 1.63(3) . ?
C47 H47A 0.9700 . ?
C47 H47B 0.9700 . ?
C51 H51A 0.9700 . ?
C51 H51B 0.9700 . ?
C13 C12 1.529(17) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C9 C2 1.540(19) . ?
C7 C8 1.51(2) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C8 C10 1.527(18) . ?
C8 C6 1.57(2) . ?
C22 C25 1.509(19) . ?
C22 C78 1.517(19) . ?
C22 C23 1.546(19) . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C2 C1 1.44(3) . ?
C2 C3 1.51(3) . ?
C2 C4 1.52(3) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C41 C42 1.47(2) . ?
C41 C40 1.50(2) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C31 C32 1.52(2) . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C55 N4 1.15(3) . ?
C55 C54 1.45(3) . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 0.9600 . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C45 H45A 0.9700 . ?
C45 H45B 0.9700 . ?
C39 C40 1.45(3) . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C89 N78 1.17(3) . ?
C89 C90 1.47(3) . ?
C78 H78A 0.9600 . ?
C78 H78B 0.9600 . ?
C78 H78C 0.9600 . ?
C79 H79A 0.9600 . ?
C79 H79B 0.9600 . ?
C79 H79C 0.9600 . ?
C80 H80A 0.9600 . ?
C80 H80B 0.9600 . ?
C80 H80C 0.9600 . ?
C90 H90A 0.9600 . ?
C90 H90B 0.9600 . ?
C90 H90C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O16 Dy1 O13 147.1(3) . . ?
O16 Dy1 O1 125.9(3) . . ?
O13 Dy1 O1 77.5(3) . . ?
O16 Dy1 O4 77.7(3) . . ?
O13 Dy1 O4 88.2(3) . . ?
O1 Dy1 O4 76.1(3) . . ?
O16 Dy1 O19 79.3(3) . . ?
O13 Dy1 O19 94.6(3) . . ?
O1 Dy1 O19 142.3(3) . . ?
O4 Dy1 O19 141.1(3) . . ?
O16 Dy1 O24 136.1(3) . . ?
O13 Dy1 O24 66.9(3) . . ?
O1 Dy1 O24 74.7(3) . . ?
O4 Dy1 O24 144.9(3) . . ?
O19 Dy1 O24 68.5(2) . . ?
O16 Dy1 O25 73.8(3) . . ?
O13 Dy1 O25 138.8(3) . . ?
O1 Dy1 O25 75.0(3) . . ?
O4 Dy1 O25 113.8(3) . . ?
O19 Dy1 O25 89.0(3) . . ?
O24 Dy1 O25 76.5(3) . . ?
O16 Dy1 O20 67.9(3) . . ?
O13 Dy1 O20 79.7(3) . . ?
O1 Dy1 O20 142.0(3) . . ?
O4 Dy1 O20 73.2(3) . . ?
O19 Dy1 O20 69.2(3) . . ?
O24 Dy1 O20 122.5(2) . . ?
O25 Dy1 O20 138.5(3) . . ?
O16 Dy1 Co3 33.5(2) . . ?
O13 Dy1 Co3 113.6(2) . . ?
O1 Dy1 Co3 140.7(2) . . ?
O4 Dy1 Co3 67.1(2) . . ?
O19 Dy1 Co3 76.39(18) . . ?
O24 Dy1 Co3 144.66(17) . . ?
O25 Dy1 Co3 107.1(2) . . ?
O20 Dy1 Co3 35.08(18) . . ?
O16 Dy1 Co1 165.6(2) . . ?
O13 Dy1 Co1 33.9(2) . . ?
O1 Dy1 Co1 66.6(2) . . ?
O4 Dy1 Co1 114.6(2) . . ?
O19 Dy1 Co1 86.28(19) . . ?
O24 Dy1 Co1 34.24(19) . . ?
O25 Dy1 Co1 105.9(2) . . ?
O20 Dy1 Co1 107.26(18) . . ?
Co3 Dy1 Co1 142.14(4) . . ?
O16 Dy1 Dy3 74.05(19) . . ?
O13 Dy1 Dy3 82.5(2) . . ?
O1 Dy1 Dy3 159.6(2) . . ?
O4 Dy1 Dy3 107.8(2) . . ?
O19 Dy1 Dy3 35.00(18) . . ?
O24 Dy1 Dy3 93.62(17) . . ?
O25 Dy1 Dy3 119.2(2) . . ?
O20 Dy1 Dy3 34.64(17) . . ?
Co3 Dy1 Dy3 53.19(3) . . ?
Co1 Dy1 Dy3 94.27(3) . . ?
O16 Dy1 Dy2 112.4(2) . . ?
O13 Dy1 Dy2 73.1(2) . . ?
O1 Dy1 Dy2 109.3(2) . . ?
O4 Dy1 Dy2 158.3(2) . . ?
O19 Dy1 Dy2 34.90(18) . . ?
O24 Dy1 Dy2 34.69(17) . . ?
O25 Dy1 Dy2 87.8(2) . . ?
O20 Dy1 Dy2 92.40(17) . . ?
Co3 Dy1 Dy2 110.05(3) . . ?
Co1 Dy1 Dy2 53.50(3) . . ?
Dy3 Dy1 Dy2 59.920(13) . . ?
O15 Dy3 O17 83.9(3) . . ?
O15 Dy3 O11 124.4(3) . . ?
O17 Dy3 O11 75.1(3) . . ?
O15 Dy3 O20 69.6(3) . . ?
O17 Dy3 O20 144.4(3) . . ?
O11 Dy3 O20 139.7(3) . . ?
O15 Dy3 O10 74.2(3) . . ?
O17 Dy3 O10 120.1(3) . . ?
O11 Dy3 O10 73.4(3) . . ?
O20 Dy3 O10 76.0(3) . . ?
O15 Dy3 O19 80.9(3) . . ?
O17 Dy3 O19 82.2(3) . . ?
O11 Dy3 O19 142.8(3) . . ?
O20 Dy3 O19 70.7(3) . . ?
O10 Dy3 O19 143.7(3) . . ?
O15 Dy3 O23 141.4(3) . . ?
O17 Dy3 O23 68.2(3) . . ?
O11 Dy3 O23 74.6(3) . . ?
O20 Dy3 O23 120.0(3) . . ?
O10 Dy3 O23 142.8(3) . . ?
O19 Dy3 O23 69.7(3) . . ?
O15 Dy3 O21 137.3(3) . . ?
O17 Dy3 O21 138.6(3) . . ?
O11 Dy3 O21 80.2(3) . . ?
O20 Dy3 O21 70.3(3) . . ?
O10 Dy3 O21 82.6(3) . . ?
O19 Dy3 O21 99.1(3) . . ?
O23 Dy3 O21 73.6(3) . . ?
O15 Dy3 Co3 34.7(2) . . ?
O17 Dy3 Co3 117.20(19) . . ?
O11 Dy3 Co3 139.4(2) . . ?
O20 Dy3 Co3 35.40(19) . . ?
O10 Dy3 Co3 67.1(2) . . ?
O19 Dy3 Co3 77.38(19) . . ?
O23 Dy3 Co3 145.68(18) . . ?
O21 Dy3 Co3 103.2(2) . . ?
O15 Dy3 Co2 116.5(2) . . ?
O17 Dy3 Co2 34.37(19) . . ?
O11 Dy3 Co2 66.6(2) . . ?
O20 Dy3 Co2 146.82(19) . . ?
O10 Dy3 Co2 137.0(2) . . ?
O19 Dy3 Co2 77.93(19) . . ?
O23 Dy3 Co2 34.43(19) . . ?
O21 Dy3 Co2 105.0(2) . . ?
Co3 Dy3 Co2 144.91(4) . . ?
O15 Dy3 Dy2 113.7(2) . . ?
O17 Dy3 Dy2 75.2(2) . . ?
O11 Dy3 Dy2 109.7(2) . . ?
O20 Dy3 Dy2 93.59(19) . . ?
O10 Dy3 Dy2 164.2(2) . . ?
O19 Dy3 Dy2 34.80(18) . . ?
O23 Dy3 Dy2 35.15(18) . . ?
O21 Dy3 Dy2 82.7(3) . . ?
Co3 Dy3 Dy2 110.93(3) . . ?
Co2 Dy3 Dy2 53.48(3) . . ?
O15 Dy3 Dy1 76.1(2) . . ?
O17 Dy3 Dy1 116.1(2) . . ?
O11 Dy3 Dy1 158.8(2) . . ?
O20 Dy3 Dy1 35.77(19) . . ?
O10 Dy3 Dy1 111.4(2) . . ?
O19 Dy3 Dy1 35.42(19) . . ?
O23 Dy3 Dy1 92.39(18) . . ?
O21 Dy3 Dy1 80.0(3) . . ?
Co3 Dy3 Dy1 53.99(3) . . ?
Co2 Dy3 Dy1 111.54(3) . . ?
Dy2 Dy3 Dy1 60.051(13) . . ?
O14 Dy2 O18 145.6(3) . . ?
O14 Dy2 O7 78.1(3) . . ?
O18 Dy2 O7 122.3(3) . . ?
O14 Dy2 O6 81.9(3) . . ?
O18 Dy2 O6 77.2(3) . . ?
O7 Dy2 O6 76.8(3) . . ?
O14 Dy2 O24 67.9(3) . . ?
O18 Dy2 O24 141.1(3) . . ?
O7 Dy2 O24 72.3(3) . . ?
O6 Dy2 O24 140.3(3) . . ?
O14 Dy2 O19 98.4(3) . . ?
O18 Dy2 O19 82.8(3) . . ?
O7 Dy2 O19 139.9(3) . . ?
O6 Dy2 O19 142.8(3) . . ?
O24 Dy2 O19 69.6(3) . . ?
O14 Dy2 O23 79.9(3) . . ?
O18 Dy2 O23 68.2(3) . . ?
O7 Dy2 O23 145.4(3) . . ?
O6 Dy2 O23 73.9(3) . . ?
O24 Dy2 O23 122.4(3) . . ?
O19 Dy2 O23 69.6(3) . . ?
O14 Dy2 O22 139.7(3) . . ?
O18 Dy2 O22 74.7(3) . . ?
O7 Dy2 O22 74.9(3) . . ?
O6 Dy2 O22 119.4(3) . . ?
O24 Dy2 O22 75.7(3) . . ?
O19 Dy2 O22 84.1(3) . . ?
O23 Dy2 O22 136.5(3) . . ?
O14 Dy2 Co2 112.02(19) . . ?
O18 Dy2 Co2 34.2(2) . . ?
O7 Dy2 Co2 140.5(2) . . ?
O6 Dy2 Co2 67.6(2) . . ?
O24 Dy2 Co2 147.19(19) . . ?
O19 Dy2 Co2 78.24(18) . . ?
O23 Dy2 Co2 34.67(19) . . ?
O22 Dy2 Co2 107.86(19) . . ?
O14 Dy2 Co1 33.96(19) . . ?
O18 Dy2 Co1 169.8(2) . . ?
O7 Dy2 Co1 67.4(2) . . ?
O6 Dy2 Co1 109.7(2) . . ?
O24 Dy2 Co1 34.51(19) . . ?
O19 Dy2 Co1 87.33(19) . . ?
O23 Dy2 Co1 105.88(19) . . ?
O22 Dy2 Co1 106.86(19) . . ?
Co2 Dy2 Co1 140.55(4) . . ?
O14 Dy2 Dy3 85.9(2) . . ?
O18 Dy2 Dy3 75.6(2) . . ?
O7 Dy2 Dy3 162.1(2) . . ?
O6 Dy2 Dy3 108.9(2) . . ?
O24 Dy2 Dy3 94.40(19) . . ?
O19 Dy2 Dy3 34.85(18) . . ?
O23 Dy2 Dy3 35.06(18) . . ?
O22 Dy2 Dy3 114.2(2) . . ?
Co2 Dy2 Dy3 53.79(3) . . ?
Co1 Dy2 Dy3 94.77(3) . . ?
O14 Dy2 Dy1 76.0(2) . . ?
O18 Dy2 Dy1 116.7(2) . . ?
O7 Dy2 Dy1 107.7(2) . . ?
O6 Dy2 Dy1 155.7(2) . . ?
O24 Dy2 Dy1 35.38(18) . . ?
O19 Dy2 Dy1 35.37(18) . . ?
O23 Dy2 Dy1 92.28(18) . . ?
O22 Dy2 Dy1 84.4(2) . . ?
Co2 Dy2 Dy1 111.82(3) . . ?
Co1 Dy2 Dy1 54.11(3) . . ?
Dy3 Dy2 Dy1 60.029(13) . . ?
O16 Co3 O15 91.9(3) . . ?
O16 Co3 O9 177.3(3) . . ?
O15 Co3 O9 90.8(3) . . ?
O16 Co3 O20 87.5(3) . . ?
O15 Co3 O20 88.3(3) . . ?
O9 Co3 O20 93.1(4) . . ?
O16 Co3 O3 92.3(4) . . ?
O15 Co3 O3 175.8(4) . . ?
O9 Co3 O3 85.0(4) . . ?
O20 Co3 O3 92.7(4) . . ?
O16 Co3 N2 86.2(4) . . ?
O15 Co3 N2 88.3(4) . . ?
O9 Co3 N2 93.4(4) . . ?
O20 Co3 N2 172.7(4) . . ?
O3 Co3 N2 91.1(4) . . ?
O16 Co3 Dy3 96.1(2) . . ?
O15 Co3 Dy3 43.8(2) . . ?
O9 Co3 Dy3 86.2(2) . . ?
O20 Co3 Dy3 45.3(2) . . ?
O3 Co3 Dy3 136.4(3) . . ?
N2 Co3 Dy3 132.0(3) . . ?
O16 Co3 Dy1 42.1(2) . . ?
O15 Co3 Dy1 97.8(2) . . ?
O9 Co3 Dy1 137.9(3) . . ?
O20 Co3 Dy1 46.5(2) . . ?
O3 Co3 Dy1 85.9(3) . . ?
N2 Co3 Dy1 127.8(3) . . ?
Dy3 Co3 Dy1 72.82(3) . . ?
O18 Co2 O23 87.9(3) . . ?
O18 Co2 O17 92.3(4) . . ?
O23 Co2 O17 88.3(3) . . ?
O18 Co2 O5 90.4(3) . . ?
O23 Co2 O5 92.9(3) . . ?
O17 Co2 O5 177.0(4) . . ?
O18 Co2 O12 175.2(3) . . ?
O23 Co2 O12 92.2(3) . . ?
O17 Co2 O12 92.5(4) . . ?
O5 Co2 O12 84.7(3) . . ?
O18 Co2 N3 87.9(5) . . ?
O23 Co2 N3 173.7(5) . . ?
O17 Co2 N3 87.1(4) . . ?
O5 Co2 N3 91.8(4) . . ?
O12 Co2 N3 92.4(5) . . ?
O18 Co2 Dy2 43.0(3) . . ?
O23 Co2 Dy2 45.8(2) . . ?
O17 Co2 Dy2 97.5(3) . . ?
O5 Co2 Dy2 85.3(2) . . ?
O12 Co2 Dy2 136.0(3) . . ?
N3 Co2 Dy2 130.7(4) . . ?
O18 Co2 Dy3 97.4(3) . . ?
O23 Co2 Dy3 45.3(2) . . ?
O17 Co2 Dy3 43.9(2) . . ?
O5 Co2 Dy3 136.7(3) . . ?
O12 Co2 Dy3 86.1(2) . . ?
N3 Co2 Dy3 130.8(4) . . ?
Dy2 Co2 Dy3 72.74(3) . . ?
O14 Co1 O24 86.6(3) . . ?
O14 Co1 O13 89.7(4) . . ?
O24 Co1 O13 87.0(4) . . ?
O14 Co1 O8 91.8(4) . . ?
O24 Co1 O8 90.9(4) . . ?
O13 Co1 O8 177.3(4) . . ?
O14 Co1 O2 178.1(4) . . ?
O24 Co1 O2 94.6(3) . . ?
O13 Co1 O2 91.9(4) . . ?
O8 Co1 O2 86.6(4) . . ?
O14 Co1 N1 86.1(4) . . ?
O24 Co1 N1 170.5(4) . . ?
O13 Co1 N1 87.0(4) . . ?
O8 Co1 N1 95.4(4) . . ?
O2 Co1 N1 92.8(4) . . ?
O14 Co1 Dy2 42.5(2) . . ?
O24 Co1 Dy2 44.9(2) . . ?
O13 Co1 Dy2 94.3(3) . . ?
O8 Co1 Dy2 85.3(3) . . ?
O2 Co1 Dy2 138.4(3) . . ?
N1 Co1 Dy2 128.5(3) . . ?
O14 Co1 Dy1 97.1(3) . . ?
O24 Co1 Dy1 45.5(2) . . ?
O13 Co1 Dy1 43.2(3) . . ?
O8 Co1 Dy1 134.3(3) . . ?
O2 Co1 Dy1 84.8(3) . . ?
N1 Co1 Dy1 129.8(3) . . ?
Dy2 Co1 Dy1 72.39(4) . . ?
Co3 O20 Dy3 99.3(3) . . ?
Co3 O20 Dy1 98.5(3) . . ?
Dy3 O20 Dy1 109.6(3) . . ?
Co2 O23 Dy3 100.2(3) . . ?
Co2 O23 Dy2 99.5(3) . . ?
Dy3 O23 Dy2 109.8(3) . . ?
C11 O5 Co2 127.3(7) . . ?
C24 O9 Co3 127.4(7) . . ?
C38 O18 Co2 111.8(8) . . ?
C38 O18 Dy2 145.4(8) . . ?
Co2 O18 Dy2 102.8(4) . . ?
C24 O10 Dy3 134.2(7) . . ?
Co1 O24 Dy2 100.6(3) . . ?
Co1 O24 Dy1 100.3(3) . . ?
Dy2 O24 Dy1 109.9(3) . . ?
C36 O17 Co2 111.6(8) . . ?
C36 O17 Dy3 146.7(8) . . ?
Co2 O17 Dy3 101.7(3) . . ?
C16 O11 Dy3 133.0(8) . . ?
C51 O15 Co3 109.2(7) . . ?
C51 O15 Dy3 143.4(7) . . ?
Co3 O15 Dy3 101.5(3) . . ?
C34 N3 C35 110.7(12) . . ?
C34 N3 C37 110.9(11) . . ?
C35 N3 C37 111.5(13) . . ?
C34 N3 Co2 112.9(9) . . ?
C35 N3 Co2 106.2(9) . . ?
C37 N3 Co2 104.3(8) . . ?
C16 O12 Co2 126.2(7) . . ?
Dy2 O19 Dy3 110.4(3) . . ?
Dy2 O19 Dy1 109.7(3) . . ?
Dy3 O19 Dy1 109.6(3) . . ?
C11 O6 Dy2 132.2(8) . . ?
C10 O3 Co3 125.6(8) . . ?
C9 O1 Dy1 134.3(8) . . ?
C10 O4 Dy1 133.2(8) . . ?
C46 O14 Co1 113.4(7) . . ?
C46 O14 Dy2 139.2(8) . . ?
Co1 O14 Dy2 103.5(3) . . ?
C53 O16 Co3 116.1(7) . . ?
C53 O16 Dy1 136.3(7) . . ?
Co3 O16 Dy1 104.4(4) . . ?
C43 O13 Co1 108.9(7) . . ?
C43 O13 Dy1 136.3(8) . . ?
Co1 O13 Dy1 102.9(4) . . ?
C9 O2 Co1 127.5(8) . . ?
C26 O8 Co1 127.3(8) . . ?
C26 O7 Dy2 133.0(7) . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C50 N2 C49 111.1(11) . . ?
C50 N2 C52 113.5(11) . . ?
C49 N2 C52 108.3(11) . . ?
C50 N2 Co3 106.1(7) . . ?
C49 N2 Co3 113.7(8) . . ?
C52 N2 Co3 104.0(8) . . ?
O10 C24 O9 125.1(10) . . ?
O10 C24 C22 120.2(11) . . ?
O9 C24 C22 114.6(10) . . ?
N2 C52 C53 110.2(10) . . ?
N2 C52 H52A 109.6 . . ?
C53 C52 H52A 109.6 . . ?
N2 C52 H52B 109.6 . . ?
C53 C52 H52B 109.6 . . ?
H52A C52 H52B 108.1 . . ?
C45 N1 C44 112.5(17) . . ?
C45 N1 C42 111.6(13) . . ?
C44 N1 C42 104.7(15) . . ?
C45 N1 Co1 103.6(9) . . ?
C44 N1 Co1 105.7(9) . . ?
C42 N1 Co1 118.8(10) . . ?
N2 C50 C51 111.8(10) . . ?
N2 C50 H50A 109.3 . . ?
C51 C50 H50A 109.3 . . ?
N2 C50 H50B 109.3 . . ?
C51 C50 H50B 109.3 . . ?
H50A C50 H50B 107.9 . . ?
O18 C38 C37 109.9(11) . . ?
O18 C38 H38A 109.7 . . ?
C37 C38 H38A 109.7 . . ?
O18 C38 H38B 109.7 . . ?
C37 C38 H38B 109.7 . . ?
H38A C38 H38B 108.2 . . ?
O14 C46 C45 111.1(11) . . ?
O14 C46 H46A 109.4 . . ?
C45 C46 H46A 109.4 . . ?
O14 C46 H46B 109.4 . . ?
C45 C46 H46B 109.4 . . ?
H46A C46 H46B 108.0 . . ?
N2 C49 C48 117.2(12) . . ?
N2 C49 H49A 108.0 . . ?
C48 C49 H49A 108.0 . . ?
N2 C49 H49B 108.0 . . ?
C48 C49 H49B 108.0 . . ?
H49A C49 H49B 107.2 . . ?
C28 C27 C29 111.7(12) . . ?
C28 C27 C26 110.7(11) . . ?
C29 C27 C26 105.5(11) . . ?
C28 C27 C30 109.9(11) . . ?
C29 C27 C30 109.3(12) . . ?
C26 C27 C30 109.6(10) . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O6 C11 O5 127.1(11) . . ?
O6 C11 C12 118.7(11) . . ?
O5 C11 C12 114.2(10) . . ?
C49 C48 C47 113.4(13) . . ?
C49 C48 H48A 108.9 . . ?
C47 C48 H48A 108.9 . . ?
C49 C48 H48B 108.9 . . ?
C47 C48 H48B 108.9 . . ?
H48A C48 H48B 107.7 . . ?
C36 C35 N3 112.7(12) . . ?
C36 C35 H35A 109.1 . . ?
N3 C35 H35A 109.1 . . ?
C36 C35 H35B 109.1 . . ?
N3 C35 H35B 109.1 . . ?
H35A C35 H35B 107.8 . . ?
C79 C19 C18 110.4(13) . . ?
C79 C19 C17 108.8(13) . . ?
C18 C19 C17 112.1(12) . . ?
C79 C19 C16 105.8(11) . . ?
C18 C19 C16 110.1(11) . . ?
C17 C19 C16 109.3(12) . . ?
O16 C53 C52 109.3(10) . . ?
O16 C53 H53A 109.8 . . ?
C52 C53 H53A 109.8 . . ?
O16 C53 H53B 109.8 . . ?
C52 C53 H53B 109.8 . . ?
H53A C53 H53B 108.3 . . ?
N3 C37 C38 110.2(11) . . ?
N3 C37 H37A 109.6 . . ?
C38 C37 H37A 109.6 . . ?
N3 C37 H37B 109.6 . . ?
C38 C37 H37B 109.6 . . ?
H37A C37 H37B 108.1 . . ?
O13 C43 C44 108.2(12) . . ?
O13 C43 H43A 110.1 . . ?
C44 C43 H43A 110.1 . . ?
O13 C43 H43B 110.1 . . ?
C44 C43 H43B 110.0 . . ?
H43A C43 H43B 108.4 . . ?
C19 C17 H17A 109.5 . . ?
C19 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C19 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C27 C30 H30A 109.5 . . ?
C27 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C27 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C19 C18 H18A 109.5 . . ?
C19 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C19 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C8 C5 H5A 109.5 . . ?
C8 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C8 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C34 C33 C32 108.5(12) . . ?
C34 C33 H33A 110.0 . . ?
C32 C33 H33A 110.0 . . ?
C34 C33 H33B 110.0 . . ?
C32 C33 H33B 110.0 . . ?
H33A C33 H33B 108.4 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C43 C44 N1 112.3(16) . . ?
C43 C44 H44A 109.1 . . ?
N1 C44 H44A 109.1 . . ?
C43 C44 H44B 109.1 . . ?
N1 C44 H44B 109.1 . . ?
H44A C44 H44B 107.9 . . ?
C48 C47 C80 113.0(16) . . ?
C48 C47 H47A 109.0 . . ?
C80 C47 H47A 109.0 . . ?
C48 C47 H47B 109.0 . . ?
C80 C47 H47B 109.0 . . ?
H47A C47 H47B 107.8 . . ?
O15 C51 C50 108.2(11) . . ?
O15 C51 H51A 110.1 . . ?
C50 C51 H51A 110.1 . . ?
O15 C51 H51B 110.1 . . ?
C50 C51 H51B 110.1 . . ?
H51A C51 H51B 108.4 . . ?
O30 N5 O29 120.2(12) . . ?
O30 N5 O31 121.0(12) . . ?
O29 N5 O31 118.8(11) . . ?
O11 C16 O12 128.0(11) . . ?
O11 C16 C19 118.0(12) . . ?
O12 C16 C19 114.0(11) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
O1 C9 O2 126.2(11) . . ?
O1 C9 C2 117.4(12) . . ?
O2 C9 C2 116.3(13) . . ?
O26 N6 O27 121.3(11) . . ?
O26 N6 O28 120.0(11) . . ?
O27 N6 O28 118.7(11) . . ?
C8 C7 H7A 109.5 . . ?
C8 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C8 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C14 C12 C13 110.7(11) . . ?
C14 C12 C15 108.0(12) . . ?
C13 C12 C15 111.1(11) . . ?
C14 C12 C11 108.3(10) . . ?
C13 C12 C11 109.9(10) . . ?
C15 C12 C11 108.8(11) . . ?
O7 C26 O8 126.4(11) . . ?
O7 C26 C27 117.8(11) . . ?
O8 C26 C27 115.8(11) . . ?
N3 C34 C33 117.8(11) . . ?
N3 C34 H34A 107.8 . . ?
C33 C34 H34A 107.8 . . ?
N3 C34 H34B 107.8 . . ?
C33 C34 H34B 107.8 . . ?
H34A C34 H34B 107.2 . . ?
C5 C8 C7 110.9(12) . . ?
C5 C8 C10 108.3(13) . . ?
C7 C8 C10 112.2(12) . . ?
C5 C8 C6 108.2(12) . . ?
C7 C8 C6 106.7(13) . . ?
C10 C8 C6 110.4(11) . . ?
O4 C10 O3 127.7(12) . . ?
O4 C10 C8 119.1(12) . . ?
O3 C10 C8 113.2(12) . . ?
C25 C22 C78 109.6(12) . . ?
C25 C22 C24 110.3(11) . . ?
C78 C22 C24 107.2(11) . . ?
C25 C22 C23 111.2(12) . . ?
C78 C22 C23 109.6(11) . . ?
C24 C22 C23 109.0(10) . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C1 C2 C3 105.7(16) . . ?
C1 C2 C4 112.6(16) . . ?
C3 C2 C4 108.7(16) . . ?
C1 C2 C9 111.9(15) . . ?
C3 C2 C9 106.6(14) . . ?
C4 C2 C9 111.0(14) . . ?
C22 C25 H25A 109.5 . . ?
C22 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C22 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C42 C41 C40 115.5(16) . . ?
C42 C41 H41A 108.4 . . ?
C40 C41 H41A 108.4 . . ?
C42 C41 H41B 108.4 . . ?
C40 C41 H41B 108.4 . . ?
H41A C41 H41B 107.5 . . ?
C41 C42 N1 119.7(15) . . ?
C41 C42 H42A 107.4 . . ?
N1 C42 H42A 107.4 . . ?
C41 C42 H42B 107.4 . . ?
N1 C42 H42B 107.4 . . ?
H42A C42 H42B 106.9 . . ?
C8 C6 H6A 109.5 . . ?
C8 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C8 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C32 C31 H31A 109.5 . . ?
C32 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C32 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C31 C32 C33 113.3(14) . . ?
C31 C32 H32A 108.9 . . ?
C33 C32 H32A 108.9 . . ?
C31 C32 H32B 108.9 . . ?
C33 C32 H32B 108.9 . . ?
H32A C32 H32B 107.7 . . ?
N4 C55 C54 177(2) . . ?
C55 C54 H54A 109.5 . . ?
C55 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C55 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C2 C4 H4A 109.5 . . ?
C2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
N1 C45 C46 111.7(14) . . ?
N1 C45 H45A 109.3 . . ?
C46 C45 H45A 109.3 . . ?
N1 C45 H45B 109.3 . . ?
C46 C45 H45B 109.3 . . ?
H45A C45 H45B 107.9 . . ?
C40 C39 H39A 109.5 . . ?
C40 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C40 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C39 C40 C41 118.3(18) . . ?
C39 C40 H40A 107.7 . . ?
C41 C40 H40A 107.7 . . ?
C39 C40 H40B 107.7 . . ?
C41 C40 H40B 107.7 . . ?
H40A C40 H40B 107.1 . . ?
O17 C36 C35 116.0(13) . . ?
O17 C36 H36A 108.3 . . ?
C35 C36 H36A 108.3 . . ?
O17 C36 H36B 108.3 . . ?
C35 C36 H36B 108.3 . . ?
H36A C36 H36B 107.4 . . ?
N78 C89 C90 175(2) . . ?
C22 C78 H78A 109.5 . . ?
C22 C78 H78B 109.5 . . ?
H78A C78 H78B 109.5 . . ?
C22 C78 H78C 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C19 C79 H79A 109.5 . . ?
C19 C79 H79B 109.5 . . ?
H79A C79 H79B 109.5 . . ?
C19 C79 H79C 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C47 C80 H80A 109.5 . . ?
C47 C80 H80B 109.5 . . ?
H80A C80 H80B 109.5 . . ?
C47 C80 H80C 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C89 C90 H90A 109.5 . . ?
C89 C90 H90B 109.5 . . ?
H90A C90 H90B 109.5 . . ?
C89 C90 H90C 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?

_refine_diff_density_max         1.006
_refine_diff_density_min         -1.115
_refine_diff_density_rms         0.190

_shelxl_version_number           2013-4

_database_code_depnum_ccdc_archive 'CCDC 991805'
