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

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#                                CCDC 
# 
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#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
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#  fide research purposes only. It may contain copyright material
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data_compound3
_audit_creation_date             2013-05-24
_audit_creation_method           
;
  Olex2 1.2
  (compiled Apr 23 2013 17:59:47, GUI svn.r4466)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C64 H76 Dy2 N6, 3(C4 H8 O), C24 H20 B'
_chemical_formula_sum            'C100 H120 B Dy2 N6 O3'
_chemical_formula_weight         1789.83
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, -z'

_cell_length_a                   16.083(5)
_cell_length_b                   17.739(5)
_cell_length_c                   18.562(5)
_cell_angle_alpha                115.198(5)
_cell_angle_beta                 105.294(5)
_cell_angle_gamma                103.514(5)
_cell_volume                     4243(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9052
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.4119
_cell_measurement_theta_min      2.2744
_exptl_absorpt_coefficient_mu    1.803
_exptl_absorpt_correction_T_max  0.7492
_exptl_absorpt_correction_T_min  0.6614
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.401
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1846
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.17
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_unetI/netI     0.0491
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            15612
_diffrn_reflns_theta_full        25.45
_diffrn_reflns_theta_max         25.45
_diffrn_reflns_theta_min         1.33
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_source                   'fine-focus sealed tube'
_reflns_number_gt                13956
_reflns_number_total             15612
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       'Bruker APEX2 v. 2009.1'
_computing_data_collection       'Bruker APEX2 v. 2009.1'
_computing_data_reduction        'Bruker APEX2 v. 2009.1'
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_refine_diff_density_max         0.644
_refine_diff_density_min         -0.683
_refine_diff_density_rms         0.121
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1030
_refine_ls_number_reflns         15612
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0389
_refine_ls_R_factor_gt           0.0303
_refine_ls_restrained_S_all      1.060
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0337P)²+2.6373P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0688
_refine_ls_wR_factor_ref         0.0726
_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. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C1S(H1SA,H1SB), C2S(H2SA,H2SB), C3S(H3SA,H3SB), C4S(H4SA,H4SB), C5S(H5SA,
 H5SB), C6S(H6SA,H6SB), C7S(H7SA,H7SB), C8S(H8SA,H8SB), C9S(H9SA,H9SB),
 C10S(H10A,H10B), C11S(H11A,H11B), C12S(H12A,H12B)
2.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C10(H10), C11(H11), C12(H12), C13(H13),
 C15(H15), C16(H16), C17(H17), C18(H18), C20(H20), C21(H21), C22(H22), C23(H23),
  C66(H66), C67(H67), C68(H68), C69(H69), C70(H70), C72(H72), C73(H73),
 C74(H74), C75(H75), C76(H76), C78(H78), C79(H79), C80(H80), C81(H81), C82(H82),
  C84(H84), C85(H85), C86(H86), C87(H87), C88(H88)
2.c Idealised Me refined as rotating group:
 C30(H30A,H30B,H30C), C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C33(H33A,H33B,
 H33C), C34(H34A,H34B,H34C), C40(H40A,H40B,H40C), C41(H41A,H41B,H41C), C42(H42A,
 H42B,H42C), C43(H43A,H43B,H43C), C44(H44A,H44B,H44C), C50(H50A,H50B,H50C),
 C51(H51A,H51B,H51C), C52(H52A,H52B,H52C), C53(H53A,H53B,H53C), C54(H54A,H54B,
 H54C), C60(H60A,H60B,H60C), C61(H61A,H61B,H61C), C62(H62A,H62B,H62C), C63(H63A,
 H63B,H63C), C64(H64A,H64B,H64C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.694474(13) 0.568717(14) 0.810516(12) 0.00829(5) Uani 1 1 d . . .
Dy2 Dy 0.154005(13) 0.364937(14) 0.621581(12) 0.00807(5) Uani 1 1 d . . .
O1S O 0.3175(3) 0.0836(2) 0.5903(3) 0.0378(10) Uani 1 1 d . . .
O2S O 0.3387(3) 0.8073(3) 0.7903(3) 0.0506(13) Uani 1 1 d . . .
O3S O 0.0397(3) 0.9944(3) 0.6612(2) 0.0363(10) Uani 1 1 d . . .
N1 N 0.6218(3) 0.4015(2) 0.7310(2) 0.0101(8) Uani 1 1 d . . .
N2 N 0.5220(2) 0.5051(3) 0.7541(2) 0.0104(7) Uani 1 1 d . . .
N3 N 0.6233(3) 0.6819(3) 0.8439(2) 0.0106(8) Uani 1 1 d . . .
N4 N 0.2238(2) 0.2694(2) 0.5387(2) 0.0099(8) Uani 1 1 d . . .
N5 N 0.3277(2) 0.4303(3) 0.6855(2) 0.0105(8) Uani 1 1 d . . .
N6 N 0.2301(3) 0.5138(3) 0.7606(2) 0.0104(8) Uani 1 1 d . . .
C1 C 0.6735(3) 0.3513(3) 0.7294(3) 0.0129(10) Uani 1 1 d . . .
H1 H 0.7382 0.3808 0.7510 0.015 Uiso 1 1 calc R . .
C1S C 0.3003(4) 0.0334(4) 0.6313(3) 0.0311(13) Uani 1 1 d . . .
H1SA H 0.2355 0.0156 0.6242 0.037 Uiso 1 1 calc R . .
H1SB H 0.3409 0.0695 0.6933 0.037 Uiso 1 1 calc R . .
C2 C 0.6377(3) 0.2603(3) 0.6986(3) 0.0139(10) Uani 1 1 d . . .
H2 H 0.6767 0.2288 0.6972 0.017 Uiso 1 1 calc R . .
C2S C 0.3210(4) -0.0500(4) 0.5865(3) 0.0280(13) Uani 1 1 d . . .
H2SA H 0.2769 -0.1030 0.5797 0.034 Uiso 1 1 calc R . .
H2SB H 0.3843 -0.0403 0.6194 0.034 Uiso 1 1 calc R . .
C3 C 0.5408(3) 0.2157(3) 0.6691(3) 0.0139(10) Uani 1 1 d . . .
H3 H 0.5141 0.1544 0.6498 0.017 Uiso 1 1 calc R . .
C3S C 0.3093(4) -0.0612(4) 0.4970(4) 0.0308(13) Uani 1 1 d . . .
H3SA H 0.2601 -0.1193 0.4497 0.037 Uiso 1 1 calc R . .
H3SB H 0.3674 -0.0564 0.4895 0.037 Uiso 1 1 calc R . .
C4 C 0.4860(3) 0.2652(3) 0.6693(3) 0.0128(10) Uani 1 1 d . . .
H4 H 0.4215 0.2373 0.6503 0.015 Uiso 1 1 calc R . .
C4S C 0.2824(4) 0.0176(4) 0.4998(4) 0.0288(13) Uani 1 1 d . . .
H4SA H 0.3109 0.0424 0.4705 0.035 Uiso 1 1 calc R . .
H4SB H 0.2148 -0.0028 0.4718 0.035 Uiso 1 1 calc R . .
C5 C 0.5269(3) 0.3565(3) 0.6978(3) 0.0092(9) Uani 1 1 d . . .
C5S C 0.2757(6) 0.8242(5) 0.8273(5) 0.055(2) Uani 1 1 d . . .
H5SA H 0.3012 0.8385 0.8873 0.066 Uiso 1 1 calc R . .
H5SB H 0.2172 0.7710 0.7949 0.066 Uiso 1 1 calc R . .
C6 C 0.4730(3) 0.4129(3) 0.7010(3) 0.0090(9) Uani 1 1 d . . .
C6S C 0.2586(4) 0.9013(4) 0.8250(4) 0.0367(14) Uani 1 1 d . . .
H6SA H 0.2999 0.9578 0.8795 0.044 Uiso 1 1 calc R . .
H6SB H 0.1940 0.8935 0.8149 0.044 Uiso 1 1 calc R . .
C7 C 0.3741(3) 0.3802(3) 0.6529(3) 0.0091(9) Uani 1 1 d . . .
C7S C 0.2793(4) 0.9010(4) 0.7496(4) 0.0301(13) Uani 1 1 d . . .
H7SA H 0.2218 0.8723 0.6974 0.036 Uiso 1 1 calc R . .
H7SB H 0.3129 0.9622 0.7644 0.036 Uiso 1 1 calc R . .
C8 C 0.3775(3) 0.5160(3) 0.7563(3) 0.0078(9) Uani 1 1 d . . .
C8S C 0.3396(4) 0.8465(4) 0.7368(4) 0.0337(14) Uani 1 1 d . . .
H8SA H 0.3148 0.7991 0.6758 0.040 Uiso 1 1 calc R . .
H8SB H 0.4034 0.8856 0.7539 0.040 Uiso 1 1 calc R . .
C9 C 0.4751(3) 0.5584(3) 0.7769(3) 0.0098(9) Uani 1 1 d . . .
C9S C 0.1056(4) 1.0047(4) 0.7352(4) 0.0346(14) Uani 1 1 d . . .
H9SA H 0.1618 1.0592 0.7628 0.041 Uiso 1 1 calc R . .
H9SB H 0.1228 0.9528 0.7195 0.041 Uiso 1 1 calc R . .
C10 C 0.6769(3) 0.7700(3) 0.8802(3) 0.0124(10) Uani 1 1 d . . .
H10 H 0.7416 0.7878 0.9001 0.015 Uiso 1 1 calc R . .
C10S C 0.0559(4) 1.0114(4) 0.7960(4) 0.0365(15) Uani 1 1 d . . .
H10A H 0.1002 1.0398 0.8561 0.044 Uiso 1 1 calc R . .
H10B H 0.0115 0.9524 0.7776 0.044 Uiso 1 1 calc R . .
C11 C 0.6410(3) 0.8355(3) 0.8895(3) 0.0163(10) Uani 1 1 d . . .
H11 H 0.6805 0.8961 0.9162 0.020 Uiso 1 1 calc R . .
C11S C 0.0058(4) 1.0723(4) 0.7837(3) 0.0329(13) Uani 1 1 d . . .
H11A H -0.0557 1.0538 0.7843 0.039 Uiso 1 1 calc R . .
H11B H 0.0425 1.1354 0.8295 0.039 Uiso 1 1 calc R . .
C12 C 0.5442(3) 0.8080(3) 0.8579(3) 0.0150(10) Uani 1 1 d . . .
H12 H 0.5174 0.8499 0.8614 0.018 Uiso 1 1 calc R . .
C12S C -0.0028(4) 1.0582(4) 0.6944(3) 0.0300(13) Uani 1 1 d . . .
H12A H -0.0682 1.0337 0.6550 0.036 Uiso 1 1 calc R . .
H12B H 0.0298 1.1152 0.7002 0.036 Uiso 1 1 calc R . .
C13 C 0.4884(3) 0.7184(3) 0.8213(3) 0.0117(10) Uani 1 1 d . . .
H13 H 0.4234 0.6992 0.7996 0.014 Uiso 1 1 calc R . .
C14 C 0.5295(3) 0.6559(3) 0.8167(3) 0.0106(10) Uani 1 1 d . . .
C15 C 0.1702(3) 0.1961(3) 0.4582(3) 0.0119(9) Uani 1 1 d . . .
H15 H 0.1055 0.1745 0.4405 0.014 Uiso 1 1 calc R . .
C16 C 0.2042(4) 0.1514(3) 0.4011(3) 0.0170(11) Uani 1 1 d . . .
H16 H 0.1638 0.1003 0.3466 0.020 Uiso 1 1 calc R . .
C17 C 0.3014(3) 0.1842(3) 0.4263(3) 0.0137(10) Uani 1 1 d . . .
H17 H 0.3270 0.1571 0.3878 0.016 Uiso 1 1 calc R . .
C18 C 0.3581(3) 0.2574(3) 0.5091(3) 0.0119(10) Uani 1 1 d . . .
H18 H 0.4230 0.2793 0.5278 0.014 Uiso 1 1 calc R . .
C19 C 0.3185(3) 0.2990(3) 0.5654(3) 0.0087(9) Uani 1 1 d . . .
C20 C 0.1795(3) 0.5509(3) 0.8007(3) 0.0145(10) Uani 1 1 d . . .
H20 H 0.1145 0.5212 0.7718 0.017 Uiso 1 1 calc R . .
C21 C 0.2155(3) 0.6281(3) 0.8799(3) 0.0175(11) Uani 1 1 d . . .
H21 H 0.1766 0.6525 0.9026 0.021 Uiso 1 1 calc R . .
C22 C 0.3136(3) 0.6701(3) 0.9265(3) 0.0141(10) Uani 1 1 d . . .
H22 H 0.3413 0.7216 0.9822 0.017 Uiso 1 1 calc R . .
C23 C 0.3678(3) 0.6336(3) 0.8883(3) 0.0125(10) Uani 1 1 d . . .
H23 H 0.4328 0.6596 0.9188 0.015 Uiso 1 1 calc R . .
C24 C 0.3255(3) 0.5570(3) 0.8033(3) 0.0114(10) Uani 1 1 d . . .
C25 C 0.8188(3) 0.5678(3) 0.9373(3) 0.0158(10) Uani 1 1 d . . .
C26 C 0.8322(3) 0.6606(3) 0.9722(3) 0.0143(10) Uani 1 1 d . . .
C27 C 0.7527(3) 0.6697(3) 0.9874(3) 0.0159(10) Uani 1 1 d . . .
C28 C 0.6882(3) 0.5830(3) 0.9608(3) 0.0154(10) Uani 1 1 d . . .
C29 C 0.7305(3) 0.5201(3) 0.9318(3) 0.0153(10) Uani 1 1 d . . .
C30 C 0.8940(3) 0.5329(3) 0.9260(3) 0.0233(12) Uani 1 1 d . . .
H30A H 0.8657 0.4717 0.8771 0.035 Uiso 1 1 calc R . .
H30B H 0.9274 0.5343 0.9780 0.035 Uiso 1 1 calc R . .
H30C H 0.9368 0.5705 0.9156 0.035 Uiso 1 1 calc R . .
C31 C 0.9202(3) 0.7362(3) 0.9979(3) 0.0219(12) Uani 1 1 d . . .
H31A H 0.9417 0.7183 0.9521 0.033 Uiso 1 1 calc R . .
H31B H 0.9677 0.7497 1.0507 0.033 Uiso 1 1 calc R . .
H31C H 0.9077 0.7892 1.0074 0.033 Uiso 1 1 calc R . .
C32 C 0.7442(4) 0.7569(3) 1.0414(3) 0.0250(12) Uani 1 1 d . . .
H32A H 0.7848 0.8052 1.0403 0.037 Uiso 1 1 calc R . .
H32B H 0.7620 0.7708 1.1006 0.037 Uiso 1 1 calc R . .
H32C H 0.6804 0.7504 1.0178 0.037 Uiso 1 1 calc R . .
C33 C 0.5977(4) 0.5616(4) 0.9714(3) 0.0261(12) Uani 1 1 d . . .
H33A H 0.5691 0.6016 0.9653 0.039 Uiso 1 1 calc R . .
H33B H 0.6102 0.5696 1.0282 0.039 Uiso 1 1 calc R . .
H33C H 0.5560 0.4999 0.9274 0.039 Uiso 1 1 calc R . .
C34 C 0.6941(3) 0.4261(3) 0.9172(3) 0.0209(10) Uani 1 1 d . . .
H34A H 0.6285 0.3953 0.8788 0.031 Uiso 1 1 calc R . .
H34B H 0.7026 0.4303 0.9722 0.031 Uiso 1 1 calc R . .
H34C H 0.7279 0.3928 0.8914 0.031 Uiso 1 1 calc R . .
C35 C 0.7802(3) 0.6642(3) 0.7492(3) 0.0149(10) Uani 1 1 d . . .
C36 C 0.8201(3) 0.5993(3) 0.7407(3) 0.0147(10) Uani 1 1 d . . .
C37 C 0.7508(3) 0.5121(3) 0.6762(3) 0.0137(10) Uani 1 1 d . . .
C38 C 0.6657(3) 0.5220(3) 0.6451(3) 0.0126(10) Uani 1 1 d . . .
C39 C 0.6838(3) 0.6161(3) 0.6891(3) 0.0153(10) Uani 1 1 d . . .
C40 C 0.8354(4) 0.7641(3) 0.7959(3) 0.0273(12) Uani 1 1 d . . .
H40A H 0.7932 0.7942 0.7930 0.041 Uiso 1 1 calc R . .
H40B H 0.8758 0.7762 0.7687 0.041 Uiso 1 1 calc R . .
H40C H 0.8727 0.7861 0.8559 0.041 Uiso 1 1 calc R . .
C41 C 0.9249(3) 0.6233(4) 0.7786(3) 0.0264(12) Uani 1 1 d . . .
H41A H 0.9547 0.6792 0.8341 0.040 Uiso 1 1 calc R . .
H41B H 0.9504 0.6302 0.7394 0.040 Uiso 1 1 calc R . .
H41C H 0.9360 0.5758 0.7862 0.040 Uiso 1 1 calc R . .
C42 C 0.7684(4) 0.4285(3) 0.6326(3) 0.0253(12) Uani 1 1 d . . .
H42A H 0.7120 0.3759 0.6074 0.038 Uiso 1 1 calc R . .
H42B H 0.8173 0.4279 0.6750 0.038 Uiso 1 1 calc R . .
H42C H 0.7872 0.4280 0.5875 0.038 Uiso 1 1 calc R . .
C43 C 0.5768(3) 0.4495(3) 0.5680(3) 0.0218(11) Uani 1 1 d . . .
H43A H 0.5721 0.3915 0.5607 0.033 Uiso 1 1 calc R . .
H43B H 0.5774 0.4494 0.5164 0.033 Uiso 1 1 calc R . .
H43C H 0.5241 0.4610 0.5774 0.033 Uiso 1 1 calc R . .
C44 C 0.6156(4) 0.6552(4) 0.6636(3) 0.0233(11) Uani 1 1 d . . .
H44A H 0.5564 0.6252 0.6617 0.035 Uiso 1 1 calc R . .
H44B H 0.6071 0.6466 0.6070 0.035 Uiso 1 1 calc R . .
H44C H 0.6400 0.7189 0.7058 0.035 Uiso 1 1 calc R . .
C45 C 0.1049(3) 0.2072(3) 0.6217(3) 0.0162(10) Uani 1 1 d . . .
C46 C 0.1697(3) 0.2740(3) 0.7077(3) 0.0138(10) Uani 1 1 d . . .
C47 C 0.1280(3) 0.3337(3) 0.7467(3) 0.0140(10) Uani 1 1 d . . .
C48 C 0.0377(3) 0.3050(3) 0.6817(3) 0.0143(10) Uani 1 1 d . . .
C49 C 0.0244(3) 0.2263(3) 0.6045(3) 0.0164(10) Uani 1 1 d . . .
C50 C 0.1117(4) 0.1198(3) 0.5655(3) 0.0234(12) Uani 1 1 d . . .
H50A H 0.0686 0.0927 0.5060 0.035 Uiso 1 1 calc R . .
H50B H 0.0962 0.0790 0.5857 0.035 Uiso 1 1 calc R . .
H50C H 0.1745 0.1319 0.5692 0.035 Uiso 1 1 calc R . .
C51 C 0.2637(4) 0.2759(4) 0.7539(3) 0.0250(12) Uani 1 1 d . . .
H51A H 0.2904 0.2531 0.7128 0.038 Uiso 1 1 calc R . .
H51B H 0.2552 0.2386 0.7789 0.038 Uiso 1 1 calc R . .
H51C H 0.3052 0.3371 0.7995 0.038 Uiso 1 1 calc R . .
C52 C 0.1666(4) 0.4004(3) 0.8433(3) 0.0227(11) Uani 1 1 d . . .
H52A H 0.2309 0.4389 0.8637 0.034 Uiso 1 1 calc R . .
H52B H 0.1630 0.3682 0.8735 0.034 Uiso 1 1 calc R . .
H52C H 0.1305 0.4368 0.8542 0.034 Uiso 1 1 calc R . .
C53 C -0.0354(3) 0.3444(4) 0.6932(3) 0.0229(12) Uani 1 1 d . . .
H53A H -0.0122 0.3927 0.7527 0.034 Uiso 1 1 calc R . .
H53B H -0.0922 0.2978 0.6790 0.034 Uiso 1 1 calc R . .
H53C H -0.0480 0.3676 0.6551 0.034 Uiso 1 1 calc R . .
C54 C -0.0670(3) 0.1646(4) 0.5240(3) 0.0274(12) Uani 1 1 d . . .
H54A H -0.1099 0.1943 0.5257 0.041 Uiso 1 1 calc R . .
H54B H -0.0938 0.1093 0.5225 0.041 Uiso 1 1 calc R . .
H54C H -0.0553 0.1510 0.4726 0.041 Uiso 1 1 calc R . .
C55 C 0.0764(3) 0.4684(3) 0.5768(3) 0.0137(10) Uani 1 1 d . . .
C56 C 0.1642(3) 0.4869(3) 0.5707(3) 0.0129(9) Uani 1 1 d . . .
C57 C 0.1569(3) 0.4071(3) 0.4985(3) 0.0126(9) Uani 1 1 d . . .
C58 C 0.0658(3) 0.3403(3) 0.4610(3) 0.0144(10) Uani 1 1 d . . .
C59 C 0.0153(3) 0.3780(3) 0.5099(3) 0.0136(10) Uani 1 1 d . . .
C60 C 0.0432(3) 0.5361(3) 0.6300(3) 0.0181(10) Uani 1 1 d . . .
H60A H 0.0050 0.5094 0.6517 0.027 Uiso 1 1 calc R . .
H60B H 0.0070 0.5529 0.5940 0.027 Uiso 1 1 calc R . .
H60C H 0.0965 0.5890 0.6783 0.027 Uiso 1 1 calc R . .
C61 C 0.2476(3) 0.5760(3) 0.6227(3) 0.0192(11) Uani 1 1 d . . .
H61A H 0.2419 0.6159 0.6741 0.029 Uiso 1 1 calc R . .
H61B H 0.2502 0.6030 0.5877 0.029 Uiso 1 1 calc R . .
H61C H 0.3040 0.5661 0.6394 0.029 Uiso 1 1 calc R . .
C62 C 0.2326(3) 0.4025(3) 0.4650(3) 0.0199(11) Uani 1 1 d . . .
H62A H 0.2924 0.4299 0.5133 0.030 Uiso 1 1 calc R . .
H62B H 0.2336 0.4345 0.4343 0.030 Uiso 1 1 calc R . .
H62C H 0.2199 0.3402 0.4260 0.030 Uiso 1 1 calc R . .
C63 C 0.0192(3) 0.2551(3) 0.3722(3) 0.0217(11) Uani 1 1 d . . .
H63A H 0.0662 0.2411 0.3526 0.033 Uiso 1 1 calc R . .
H63B H -0.0224 0.2639 0.3317 0.033 Uiso 1 1 calc R . .
H63C H -0.0158 0.2059 0.3757 0.033 Uiso 1 1 calc R . .
C64 C -0.0900(3) 0.3374(4) 0.4800(3) 0.0223(11) Uani 1 1 d . . .
H64A H -0.1056 0.3646 0.5288 0.033 Uiso 1 1 calc R . .
H64B H -0.1112 0.2731 0.4564 0.033 Uiso 1 1 calc R . .
H64C H -0.1200 0.3486 0.4358 0.033 Uiso 1 1 calc R . .
C65 C 0.6101(3) -0.0201(3) 0.7211(3) 0.0149(10) Uani 1 1 d . . .
C66 C 0.5682(3) -0.1068(3) 0.7095(3) 0.0169(10) Uani 1 1 d . . .
H66 H 0.5843 -0.1133 0.7577 0.020 Uiso 1 1 calc R . .
C67 C 0.5042(3) -0.1818(3) 0.6289(3) 0.0193(11) Uani 1 1 d . . .
H67 H 0.4771 -0.2371 0.6240 0.023 Uiso 1 1 calc R . .
C68 C 0.4805(3) -0.1742(4) 0.5555(3) 0.0226(12) Uani 1 1 d . . .
H68 H 0.4372 -0.2241 0.5013 0.027 Uiso 1 1 calc R . .
C69 C 0.5221(3) -0.0913(3) 0.5639(3) 0.0196(11) Uani 1 1 d . . .
H69 H 0.5084 -0.0860 0.5148 0.024 Uiso 1 1 calc R . .
C70 C 0.5840(3) -0.0166(3) 0.6451(3) 0.0177(11) Uani 1 1 d . . .
H70 H 0.6094 0.0386 0.6492 0.021 Uiso 1 1 calc R . .
C71 C 0.7505(3) 0.0516(3) 0.8832(3) 0.0132(10) Uani 1 1 d . . .
C72 C 0.7947(3) -0.0065(3) 0.8514(3) 0.0171(10) Uani 1 1 d . . .
H72 H 0.7728 -0.0448 0.7913 0.021 Uiso 1 1 calc R . .
C73 C 0.8704(4) -0.0086(3) 0.9069(3) 0.0239(12) Uani 1 1 d . . .
H73 H 0.8993 -0.0467 0.8834 0.029 Uiso 1 1 calc R . .
C74 C 0.9027(4) 0.0449(4) 0.9960(3) 0.0283(13) Uani 1 1 d . . .
H74 H 0.9524 0.0423 1.0329 0.034 Uiso 1 1 calc R . .
C75 C 0.8609(4) 0.1022(4) 1.0298(3) 0.0291(13) Uani 1 1 d . . .
H75 H 0.8822 0.1387 1.0900 0.035 Uiso 1 1 calc R . .
C76 C 0.7870(4) 0.1058(4) 0.9745(3) 0.0213(11) Uani 1 1 d . . .
H76 H 0.7604 0.1459 0.9990 0.026 Uiso 1 1 calc R . .
C77 C 0.6022(3) 0.1015(3) 0.8581(3) 0.0151(10) Uani 1 1 d . . .
C78 C 0.5690(4) 0.0699(3) 0.9078(3) 0.0230(12) Uani 1 1 d . . .
H78 H 0.5932 0.0332 0.9225 0.028 Uiso 1 1 calc R . .
C79 C 0.5010(4) 0.0925(4) 0.9351(4) 0.0326(14) Uani 1 1 d . . .
H79 H 0.4813 0.0708 0.9680 0.039 Uiso 1 1 calc R . .
C80 C 0.4623(4) 0.1461(4) 0.9147(4) 0.0337(15) Uani 1 1 d . . .
H80 H 0.4173 0.1612 0.9337 0.040 Uiso 1 1 calc R . .
C81 C 0.4920(4) 0.1767(4) 0.8654(3) 0.0319(14) Uani 1 1 d . . .
H81 H 0.4662 0.2123 0.8500 0.038 Uiso 1 1 calc R . .
C82 C 0.5612(3) 0.1546(3) 0.8380(3) 0.0230(12) Uani 1 1 d . . .
H82 H 0.5802 0.1765 0.8051 0.028 Uiso 1 1 calc R . .
C83 C 0.7495(3) 0.1508(3) 0.8188(3) 0.0151(10) Uani 1 1 d . . .
C84 C 0.7946(3) 0.1349(3) 0.7616(3) 0.0163(10) Uani 1 1 d . . .
H84 H 0.7740 0.0762 0.7148 0.020 Uiso 1 1 calc R . .
C85 C 0.8688(3) 0.2035(4) 0.7720(3) 0.0214(11) Uani 1 1 d . . .
H85 H 0.8958 0.1901 0.7320 0.026 Uiso 1 1 calc R . .
C86 C 0.9021(3) 0.2907(4) 0.8410(3) 0.0233(12) Uani 1 1 d . . .
H86 H 0.9525 0.3361 0.8486 0.028 Uiso 1 1 calc R . .
C87 C 0.8602(3) 0.3107(3) 0.8994(3) 0.0213(11) Uani 1 1 d . . .
H87 H 0.8820 0.3695 0.9464 0.026 Uiso 1 1 calc R . .
C88 C 0.7844(3) 0.2408(3) 0.8866(3) 0.0178(11) Uani 1 1 d . . .
H88 H 0.7559 0.2553 0.9254 0.021 Uiso 1 1 calc R . .
B1 B 0.6755(3) 0.0697(4) 0.8187(3) 0.0136(10) 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
Dy1 N1 2.467(4) . ?
Dy1 N2 2.462(3) . ?
Dy1 N3 2.473(4) . ?
Dy1 C25 2.664(4) . ?
Dy1 C26 2.685(4) . ?
Dy1 C27 2.730(4) . ?
Dy1 C28 2.723(4) . ?
Dy1 C29 2.711(4) . ?
Dy1 C35 2.728(4) . ?
Dy1 C36 2.743(4) . ?
Dy1 C38 2.690(4) . ?
Dy1 C39 2.700(4) . ?
Dy2 N4 2.466(4) . ?
Dy2 N5 2.475(3) . ?
Dy2 N6 2.480(4) . ?
Dy2 C45 2.724(5) . ?
Dy2 C46 2.719(4) . ?
Dy2 C47 2.716(4) . ?
Dy2 C48 2.656(4) . ?
Dy2 C49 2.662(5) . ?
Dy2 C55 2.728(4) . ?
Dy2 C56 2.694(4) . ?
Dy2 C57 2.697(4) . ?
Dy2 C58 2.732(4) . ?
O1S C1S 1.423(7) . ?
O1S C4S 1.424(6) . ?
O2S C5S 1.387(7) . ?
O2S C8S 1.436(7) . ?
O3S C9S 1.404(7) . ?
O3S C12S 1.455(6) . ?
N1 C1 1.350(6) . ?
N1 C5 1.364(5) . ?
N2 C6 1.372(6) . ?
N2 C9 1.343(6) . ?
N3 C10 1.345(6) . ?
N3 C14 1.348(5) . ?
N4 C15 1.345(5) . ?
N4 C19 1.359(5) . ?
N5 C7 1.342(6) . ?
N5 C8 1.362(6) . ?
N6 C20 1.341(5) . ?
N6 C24 1.365(6) . ?
C1 H1 0.9300 . ?
C1 C2 1.368(6) . ?
C1S H1SA 0.9700 . ?
C1S H1SB 0.9700 . ?
C1S C2S 1.524(7) . ?
C2 H2 0.9300 . ?
C2 C3 1.399(6) . ?
C2S H2SA 0.9700 . ?
C2S H2SB 0.9700 . ?
C2S C3S 1.540(7) . ?
C3 H3 0.9300 . ?
C3 C4 1.383(6) . ?
C3S H3SA 0.9700 . ?
C3S H3SB 0.9700 . ?
C3S C4S 1.541(7) . ?
C4 H4 0.9300 . ?
C4 C5 1.386(6) . ?
C4S H4SA 0.9700 . ?
C4S H4SB 0.9700 . ?
C5 C6 1.462(6) . ?
C5S H5SA 0.9700 . ?
C5S H5SB 0.9700 . ?
C5S C6S 1.472(8) . ?
C6 C7 1.429(6) . ?
C6S H6SA 0.9700 . ?
C6S H6SB 0.9700 . ?
C6S C7S 1.519(7) . ?
C7 C19 1.467(6) . ?
C7S H7SA 0.9700 . ?
C7S H7SB 0.9700 . ?
C7S C8S 1.516(8) . ?
C8 C9 1.437(6) . ?
C8 C24 1.455(6) . ?
C8S H8SA 0.9700 . ?
C8S H8SB 0.9700 . ?
C9 C14 1.471(6) . ?
C9S H9SA 0.9700 . ?
C9S H9SB 0.9700 . ?
C9S C10S 1.527(8) . ?
C10 H10 0.9300 . ?
C10 C11 1.381(6) . ?
C10S H10A 0.9700 . ?
C10S H10B 0.9700 . ?
C10S C11S 1.545(8) . ?
C11 H11 0.9300 . ?
C11 C12 1.388(7) . ?
C11S H11A 0.9700 . ?
C11S H11B 0.9700 . ?
C11S C12S 1.530(7) . ?
C12 H12 0.9300 . ?
C12 C13 1.374(6) . ?
C12S H12A 0.9700 . ?
C12S H12B 0.9700 . ?
C13 H13 0.9300 . ?
C13 C14 1.403(6) . ?
C15 H15 0.9300 . ?
C15 C16 1.357(6) . ?
C16 H16 0.9300 . ?
C16 C17 1.400(7) . ?
C17 H17 0.9300 . ?
C17 C18 1.374(6) . ?
C18 H18 0.9300 . ?
C18 C19 1.399(6) . ?
C20 H20 0.9300 . ?
C20 C21 1.357(6) . ?
C21 H21 0.9300 . ?
C21 C22 1.406(7) . ?
C22 H22 0.9300 . ?
C22 C23 1.371(6) . ?
C23 H23 0.9300 . ?
C23 C24 1.405(6) . ?
C25 C26 1.425(6) . ?
C25 C29 1.425(7) . ?
C25 C30 1.504(6) . ?
C26 C27 1.409(6) . ?
C26 C31 1.498(6) . ?
C27 C28 1.422(7) . ?
C27 C32 1.506(6) . ?
C28 C29 1.427(7) . ?
C28 C33 1.502(7) . ?
C29 C34 1.508(6) . ?
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 C36 1.417(7) . ?
C35 C39 1.426(6) . ?
C35 C40 1.493(6) . ?
C36 C37 1.408(6) . ?
C36 C41 1.517(6) . ?
C37 C38 1.422(6) . ?
C37 C42 1.492(6) . ?
C38 C39 1.423(6) . ?
C38 C43 1.496(6) . ?
C39 C44 1.507(7) . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 C46 1.404(6) . ?
C45 C49 1.405(6) . ?
C45 C50 1.505(7) . ?
C46 C47 1.425(6) . ?
C46 C51 1.514(7) . ?
C47 C48 1.426(6) . ?
C47 C52 1.504(6) . ?
C48 C49 1.429(6) . ?
C48 C53 1.518(6) . ?
C49 C54 1.512(6) . ?
C50 H50A 0.9600 . ?
C50 H50B 0.9600 . ?
C50 H50C 0.9600 . ?
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 H53A 0.9600 . ?
C53 H53B 0.9600 . ?
C53 H53C 0.9600 . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 0.9600 . ?
C55 C56 1.418(6) . ?
C55 C59 1.416(6) . ?
C55 C60 1.507(6) . ?
C56 C57 1.428(6) . ?
C56 C61 1.503(6) . ?
C57 C58 1.409(7) . ?
C57 C62 1.509(6) . ?
C58 C59 1.433(6) . ?
C58 C63 1.503(6) . ?
C59 C64 1.513(6) . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?
C61 H61A 0.9600 . ?
C61 H61B 0.9600 . ?
C61 H61C 0.9600 . ?
C62 H62A 0.9600 . ?
C62 H62B 0.9600 . ?
C62 H62C 0.9600 . ?
C63 H63A 0.9600 . ?
C63 H63B 0.9600 . ?
C63 H63C 0.9600 . ?
C64 H64A 0.9600 . ?
C64 H64B 0.9600 . ?
C64 H64C 0.9600 . ?
C65 C66 1.421(7) . ?
C65 C70 1.395(6) . ?
C65 B1 1.638(7) . ?
C66 H66 0.9300 . ?
C66 C67 1.386(7) . ?
C67 H67 0.9300 . ?
C67 C68 1.387(7) . ?
C68 H68 0.9300 . ?
C68 C69 1.387(7) . ?
C69 H69 0.9300 . ?
C69 C70 1.381(7) . ?
C70 H70 0.9300 . ?
C71 C72 1.400(7) . ?
C71 C76 1.403(6) . ?
C71 B1 1.655(7) . ?
C72 H72 0.9300 . ?
C72 C73 1.393(7) . ?
C73 H73 0.9300 . ?
C73 C74 1.372(7) . ?
C74 H74 0.9300 . ?
C74 C75 1.372(8) . ?
C75 H75 0.9300 . ?
C75 C76 1.385(7) . ?
C76 H76 0.9300 . ?
C77 C78 1.417(7) . ?
C77 C82 1.386(7) . ?
C77 B1 1.630(7) . ?
C78 H78 0.9300 . ?
C78 C79 1.392(7) . ?
C79 H79 0.9300 . ?
C79 C80 1.376(8) . ?
C80 H80 0.9300 . ?
C80 C81 1.377(9) . ?
C81 H81 0.9300 . ?
C81 C82 1.408(7) . ?
C82 H82 0.9300 . ?
C83 C84 1.407(6) . ?
C83 C88 1.395(7) . ?
C83 B1 1.637(7) . ?
C84 H84 0.9300 . ?
C84 C85 1.393(7) . ?
C85 H85 0.9300 . ?
C85 C86 1.373(7) . ?
C86 H86 0.9300 . ?
C86 C87 1.388(7) . ?
C87 H87 0.9300 . ?
C87 C88 1.403(7) . ?
C88 H88 0.9300 . ?

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
N1 Dy1 N3 130.81(11) . . ?
N1 Dy1 C25 89.27(13) . . ?
N1 Dy1 C26 119.61(13) . . ?
N1 Dy1 C27 120.98(13) . . ?
N1 Dy1 C28 92.12(13) . . ?
N1 Dy1 C29 73.09(13) . . ?
N1 Dy1 C35 123.61(12) . . ?
N1 Dy1 C36 102.10(13) . . ?
N1 Dy1 C38 77.30(13) . . ?
N1 Dy1 C39 106.89(13) . . ?
N2 Dy1 N1 66.00(13) . . ?
N2 Dy1 N3 64.82(13) . . ?
N2 Dy1 C25 128.41(13) . . ?
N2 Dy1 C26 132.96(13) . . ?
N2 Dy1 C27 103.86(13) . . ?
N2 Dy1 C28 84.18(13) . . ?
N2 Dy1 C29 97.68(13) . . ?
N2 Dy1 C35 119.68(13) . . ?
N2 Dy1 C36 134.66(12) . . ?
N2 Dy1 C38 85.19(12) . . ?
N2 Dy1 C39 90.17(13) . . ?
N3 Dy1 C25 121.35(13) . . ?
N3 Dy1 C26 93.92(13) . . ?
N3 Dy1 C27 71.35(13) . . ?
N3 Dy1 C28 82.51(13) . . ?
N3 Dy1 C29 112.95(13) . . ?
N3 Dy1 C35 82.51(13) . . ?
N3 Dy1 C36 112.43(13) . . ?
N3 Dy1 C38 99.08(13) . . ?
N3 Dy1 C39 73.98(13) . . ?
C25 Dy1 C26 30.89(14) . . ?
C25 Dy1 C27 50.24(14) . . ?
C25 Dy1 C28 50.70(14) . . ?
C25 Dy1 C29 30.73(14) . . ?
C25 Dy1 C35 111.78(15) . . ?
C25 Dy1 C36 93.05(14) . . ?
C25 Dy1 C38 134.66(14) . . ?
C25 Dy1 C39 141.30(14) . . ?
C26 Dy1 C27 30.15(14) . . ?
C26 Dy1 C28 50.41(14) . . ?
C26 Dy1 C29 50.54(14) . . ?
C26 Dy1 C35 96.32(14) . . ?
C26 Dy1 C36 91.71(13) . . ?
C26 Dy1 C38 141.32(13) . . ?
C26 Dy1 C39 125.40(14) . . ?
C27 Dy1 C36 118.36(14) . . ?
C28 Dy1 C27 30.24(14) . . ?
C28 Dy1 C35 142.08(14) . . ?
C28 Dy1 C36 141.13(14) . . ?
C29 Dy1 C27 49.89(14) . . ?
C29 Dy1 C28 30.44(14) . . ?
C29 Dy1 C35 142.45(15) . . ?
C29 Dy1 C36 121.44(14) . . ?
C35 Dy1 C27 111.86(14) . . ?
C35 Dy1 C36 30.02(14) . . ?
C38 Dy1 C27 161.56(14) . . ?
C38 Dy1 C28 167.37(14) . . ?
C38 Dy1 C29 145.90(14) . . ?
C38 Dy1 C35 50.23(13) . . ?
C38 Dy1 C36 49.67(13) . . ?
C38 Dy1 C39 30.61(13) . . ?
C39 Dy1 C27 131.85(14) . . ?
C39 Dy1 C28 155.97(14) . . ?
C39 Dy1 C29 171.21(15) . . ?
C39 Dy1 C35 30.45(14) . . ?
C39 Dy1 C36 49.78(14) . . ?
N4 Dy2 N5 65.32(12) . . ?
N4 Dy2 N6 130.30(11) . . ?
N4 Dy2 C45 71.61(13) . . ?
N4 Dy2 C46 83.10(13) . . ?
N4 Dy2 C47 113.50(13) . . ?
N4 Dy2 C48 121.87(13) . . ?
N4 Dy2 C49 94.01(13) . . ?
N4 Dy2 C55 125.06(12) . . ?
N4 Dy2 C56 102.61(12) . . ?
N4 Dy2 C57 75.54(13) . . ?
N4 Dy2 C58 80.12(13) . . ?
N5 Dy2 N6 65.01(12) . . ?
N5 Dy2 C45 105.06(14) . . ?
N5 Dy2 C46 85.90(13) . . ?
N5 Dy2 C47 98.80(13) . . ?
N5 Dy2 C48 129.56(13) . . ?
N5 Dy2 C49 134.29(14) . . ?
N5 Dy2 C55 113.72(14) . . ?
N5 Dy2 C56 86.48(13) . . ?
N5 Dy2 C57 88.21(13) . . ?
N5 Dy2 C58 116.37(13) . . ?
N6 Dy2 C45 120.76(13) . . ?
N6 Dy2 C46 92.01(13) . . ?
N6 Dy2 C47 73.02(13) . . ?
N6 Dy2 C48 89.42(13) . . ?
N6 Dy2 C49 119.94(13) . . ?
N6 Dy2 C55 77.56(13) . . ?
N6 Dy2 C56 75.81(13) . . ?
N6 Dy2 C57 104.30(13) . . ?
N6 Dy2 C58 124.32(13) . . ?
C45 Dy2 C55 141.22(14) . . ?
C45 Dy2 C58 112.45(14) . . ?
C46 Dy2 C45 29.91(13) . . ?
C46 Dy2 C55 150.00(13) . . ?
C46 Dy2 C58 142.35(14) . . ?
C47 Dy2 C45 49.98(14) . . ?
C47 Dy2 C46 30.40(14) . . ?
C47 Dy2 C55 120.41(14) . . ?
C47 Dy2 C58 144.60(14) . . ?
C48 Dy2 C45 50.55(14) . . ?
C48 Dy2 C46 50.55(14) . . ?
C48 Dy2 C47 30.76(14) . . ?
C48 Dy2 C49 31.17(14) . . ?
C48 Dy2 C55 100.72(14) . . ?
C48 Dy2 C56 130.47(14) . . ?
C48 Dy2 C57 141.72(14) . . ?
C48 Dy2 C58 113.96(14) . . ?
C49 Dy2 C45 30.21(14) . . ?
C49 Dy2 C46 50.04(14) . . ?
C49 Dy2 C47 50.64(14) . . ?
C49 Dy2 C55 111.46(15) . . ?
C49 Dy2 C56 139.05(14) . . ?
C49 Dy2 C57 127.42(14) . . ?
C49 Dy2 C58 97.81(14) . . ?
C55 Dy2 C58 49.76(13) . . ?
C56 Dy2 C45 162.54(14) . . ?
C56 Dy2 C46 167.52(14) . . ?
C56 Dy2 C47 142.37(14) . . ?
C56 Dy2 C55 30.31(13) . . ?
C56 Dy2 C57 30.72(13) . . ?
C56 Dy2 C58 50.11(14) . . ?
C57 Dy2 C45 134.62(14) . . ?
C57 Dy2 C46 158.37(13) . . ?
C57 Dy2 C47 170.27(14) . . ?
C57 Dy2 C55 50.08(13) . . ?
C57 Dy2 C58 30.07(14) . . ?
C1S O1S C4S 105.4(4) . . ?
C5S O2S C8S 109.7(4) . . ?
C9S O3S C12S 105.8(4) . . ?
C1 N1 Dy1 122.0(3) . . ?
C1 N1 C5 116.5(4) . . ?
C5 N1 Dy1 120.8(3) . . ?
C6 N2 Dy1 119.3(3) . . ?
C9 N2 Dy1 121.4(3) . . ?
C9 N2 C6 119.3(3) . . ?
C10 N3 Dy1 119.9(3) . . ?
C10 N3 C14 118.6(4) . . ?
C14 N3 Dy1 121.0(3) . . ?
C15 N4 Dy2 120.8(3) . . ?
C15 N4 C19 117.6(4) . . ?
C19 N4 Dy2 120.4(3) . . ?
C7 N5 Dy2 120.2(3) . . ?
C7 N5 C8 119.2(3) . . ?
C8 N5 Dy2 120.5(3) . . ?
C20 N6 Dy2 121.3(3) . . ?
C20 N6 C24 117.3(4) . . ?
C24 N6 Dy2 121.1(3) . . ?
N1 C1 H1 117.6 . . ?
N1 C1 C2 124.8(4) . . ?
C2 C1 H1 117.6 . . ?
O1S C1S H1SA 110.5 . . ?
O1S C1S H1SB 110.5 . . ?
O1S C1S C2S 106.1(4) . . ?
H1SA C1S H1SB 108.7 . . ?
C2S C1S H1SA 110.5 . . ?
C2S C1S H1SB 110.5 . . ?
C1 C2 H2 120.9 . . ?
C1 C2 C3 118.2(4) . . ?
C3 C2 H2 120.9 . . ?
C1S C2S H2SA 111.0 . . ?
C1S C2S H2SB 111.0 . . ?
C1S C2S C3S 103.6(4) . . ?
H2SA C2S H2SB 109.0 . . ?
C3S C2S H2SA 111.0 . . ?
C3S C2S H2SB 111.0 . . ?
C2 C3 H3 120.9 . . ?
C4 C3 C2 118.2(4) . . ?
C4 C3 H3 120.9 . . ?
C2S C3S H3SA 111.0 . . ?
C2S C3S H3SB 111.0 . . ?
C2S C3S C4S 103.8(4) . . ?
H3SA C3S H3SB 109.0 . . ?
C4S C3S H3SA 111.0 . . ?
C4S C3S H3SB 111.0 . . ?
C3 C4 H4 119.9 . . ?
C3 C4 C5 120.2(4) . . ?
C5 C4 H4 119.9 . . ?
O1S C4S C3S 105.1(4) . . ?
O1S C4S H4SA 110.7 . . ?
O1S C4S H4SB 110.7 . . ?
C3S C4S H4SA 110.7 . . ?
C3S C4S H4SB 110.7 . . ?
H4SA C4S H4SB 108.8 . . ?
N1 C5 C4 121.9(4) . . ?
N1 C5 C6 115.1(4) . . ?
C4 C5 C6 122.8(4) . . ?
O2S C5S H5SA 110.0 . . ?
O2S C5S H5SB 110.0 . . ?
O2S C5S C6S 108.4(5) . . ?
H5SA C5S H5SB 108.4 . . ?
C6S C5S H5SA 110.0 . . ?
C6S C5S H5SB 110.0 . . ?
N2 C6 C5 117.0(4) . . ?
N2 C6 C7 117.4(4) . . ?
C7 C6 C5 125.6(4) . . ?
C5S C6S H6SA 110.8 . . ?
C5S C6S H6SB 110.8 . . ?
C5S C6S C7S 104.8(5) . . ?
H6SA C6S H6SB 108.9 . . ?
C7S C6S H6SA 110.8 . . ?
C7S C6S H6SB 110.8 . . ?
N5 C7 C6 118.8(4) . . ?
N5 C7 C19 115.7(4) . . ?
C6 C7 C19 125.2(4) . . ?
C6S C7S H7SA 111.0 . . ?
C6S C7S H7SB 111.0 . . ?
H7SA C7S H7SB 109.0 . . ?
C8S C7S C6S 103.6(5) . . ?
C8S C7S H7SA 111.0 . . ?
C8S C7S H7SB 111.0 . . ?
N5 C8 C9 117.7(4) . . ?
N5 C8 C24 116.3(4) . . ?
C9 C8 C24 125.9(4) . . ?
O2S C8S C7S 107.6(4) . . ?
O2S C8S H8SA 110.2 . . ?
O2S C8S H8SB 110.2 . . ?
C7S C8S H8SA 110.2 . . ?
C7S C8S H8SB 110.2 . . ?
H8SA C8S H8SB 108.5 . . ?
N2 C9 C8 118.3(4) . . ?
N2 C9 C14 115.2(4) . . ?
C8 C9 C14 126.5(4) . . ?
O3S C9S H9SA 110.8 . . ?
O3S C9S H9SB 110.8 . . ?
O3S C9S C10S 104.8(5) . . ?
H9SA C9S H9SB 108.9 . . ?
C10S C9S H9SA 110.8 . . ?
C10S C9S H9SB 110.8 . . ?
N3 C10 H10 118.2 . . ?
N3 C10 C11 123.6(4) . . ?
C11 C10 H10 118.2 . . ?
C9S C10S H10A 111.7 . . ?
C9S C10S H10B 111.7 . . ?
C9S C10S C11S 100.4(5) . . ?
H10A C10S H10B 109.5 . . ?
C11S C10S H10A 111.7 . . ?
C11S C10S H10B 111.7 . . ?
C10 C11 H11 121.1 . . ?
C10 C11 C12 117.8(5) . . ?
C12 C11 H11 121.1 . . ?
C10S C11S H11A 110.9 . . ?
C10S C11S H11B 110.9 . . ?
H11A C11S H11B 108.9 . . ?
C12S C11S C10S 104.2(4) . . ?
C12S C11S H11A 110.9 . . ?
C12S C11S H11B 110.9 . . ?
C11 C12 H12 120.3 . . ?
C13 C12 C11 119.4(5) . . ?
C13 C12 H12 120.3 . . ?
O3S C12S C11S 106.4(4) . . ?
O3S C12S H12A 110.5 . . ?
O3S C12S H12B 110.5 . . ?
C11S C12S H12A 110.5 . . ?
C11S C12S H12B 110.5 . . ?
H12A C12S H12B 108.6 . . ?
C12 C13 H13 120.1 . . ?
C12 C13 C14 119.8(4) . . ?
C14 C13 H13 120.1 . . ?
N3 C14 C9 115.7(4) . . ?
N3 C14 C13 120.6(4) . . ?
C13 C14 C9 123.5(4) . . ?
N4 C15 H15 117.8 . . ?
N4 C15 C16 124.4(4) . . ?
C16 C15 H15 117.8 . . ?
C15 C16 H16 120.8 . . ?
C15 C16 C17 118.4(4) . . ?
C17 C16 H16 120.8 . . ?
C16 C17 H17 120.8 . . ?
C18 C17 C16 118.4(4) . . ?
C18 C17 H17 120.8 . . ?
C17 C18 H18 119.9 . . ?
C17 C18 C19 120.2(4) . . ?
C19 C18 H18 119.9 . . ?
N4 C19 C7 115.7(4) . . ?
N4 C19 C18 120.8(4) . . ?
C18 C19 C7 123.3(4) . . ?
N6 C20 H20 117.3 . . ?
N6 C20 C21 125.4(4) . . ?
C21 C20 H20 117.3 . . ?
C20 C21 H21 121.2 . . ?
C20 C21 C22 117.6(4) . . ?
C22 C21 H21 121.2 . . ?
C21 C22 H22 120.6 . . ?
C23 C22 C21 118.8(4) . . ?
C23 C22 H22 120.6 . . ?
C22 C23 H23 119.9 . . ?
C22 C23 C24 120.2(4) . . ?
C24 C23 H23 119.9 . . ?
N6 C24 C8 115.4(4) . . ?
N6 C24 C23 120.5(4) . . ?
C23 C24 C8 124.0(4) . . ?
C26 C25 Dy1 75.4(3) . . ?
C26 C25 C29 107.9(4) . . ?
C26 C25 C30 124.3(4) . . ?
C29 C25 Dy1 76.4(3) . . ?
C29 C25 C30 126.9(4) . . ?
C30 C25 Dy1 123.4(3) . . ?
C25 C26 Dy1 73.7(2) . . ?
C25 C26 C31 125.4(4) . . ?
C27 C26 Dy1 76.7(3) . . ?
C27 C26 C25 107.9(4) . . ?
C27 C26 C31 126.3(4) . . ?
C31 C26 Dy1 121.1(3) . . ?
C26 C27 Dy1 73.2(2) . . ?
C26 C27 C28 108.9(4) . . ?
C26 C27 C32 126.6(4) . . ?
C28 C27 Dy1 74.6(2) . . ?
C28 C27 C32 123.1(4) . . ?
C32 C27 Dy1 129.2(3) . . ?
C27 C28 Dy1 75.1(3) . . ?
C27 C28 C29 107.3(4) . . ?
C27 C28 C33 127.3(5) . . ?
C29 C28 Dy1 74.3(2) . . ?
C29 C28 C33 124.9(5) . . ?
C33 C28 Dy1 122.2(3) . . ?
C25 C29 Dy1 72.8(3) . . ?
C25 C29 C28 108.0(4) . . ?
C25 C29 C34 127.8(4) . . ?
C28 C29 Dy1 75.2(3) . . ?
C28 C29 C34 123.1(4) . . ?
C34 C29 Dy1 127.5(3) . . ?
C25 C30 H30A 109.5 . . ?
C25 C30 H30B 109.5 . . ?
C25 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C26 C31 H31A 109.5 . . ?
C26 C31 H31B 109.5 . . ?
C26 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C27 C32 H32A 109.5 . . ?
C27 C32 H32B 109.5 . . ?
C27 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C28 C33 H33A 109.5 . . ?
C28 C33 H33B 109.5 . . ?
C28 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C29 C34 H34A 109.5 . . ?
C29 C34 H34B 109.5 . . ?
C29 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C36 C35 Dy1 75.6(3) . . ?
C36 C35 C39 107.4(4) . . ?
C36 C35 C40 124.5(4) . . ?
C39 C35 Dy1 73.7(3) . . ?
C39 C35 C40 126.4(5) . . ?
C40 C35 Dy1 127.9(3) . . ?
C35 C36 Dy1 74.4(2) . . ?
C35 C36 C41 123.8(4) . . ?
C37 C36 Dy1 75.2(2) . . ?
C37 C36 C35 109.1(4) . . ?
C37 C36 C41 125.5(4) . . ?
C41 C36 Dy1 128.4(3) . . ?
C36 C37 Dy1 75.1(2) . . ?
C36 C37 C38 107.5(4) . . ?
C36 C37 C42 125.7(4) . . ?
C38 C37 Dy1 72.7(2) . . ?
C38 C37 C42 125.1(4) . . ?
C42 C37 Dy1 129.4(3) . . ?
C37 C38 Dy1 77.0(2) . . ?
C37 C38 C39 108.2(4) . . ?
C37 C38 C43 126.3(4) . . ?
C39 C38 Dy1 75.1(2) . . ?
C39 C38 C43 124.5(4) . . ?
C43 C38 Dy1 122.9(3) . . ?
C35 C39 Dy1 75.9(3) . . ?
C35 C39 C44 127.5(4) . . ?
C38 C39 Dy1 74.3(3) . . ?
C38 C39 C35 107.7(4) . . ?
C38 C39 C44 124.0(4) . . ?
C44 C39 Dy1 123.5(3) . . ?
C35 C40 H40A 109.5 . . ?
C35 C40 H40B 109.5 . . ?
C35 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C36 C41 H41A 109.5 . . ?
C36 C41 H41B 109.5 . . ?
C36 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C37 C42 H42A 109.5 . . ?
C37 C42 H42B 109.5 . . ?
C37 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C38 C43 H43A 109.5 . . ?
C38 C43 H43B 109.5 . . ?
C38 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C39 C44 H44A 109.5 . . ?
C39 C44 H44B 109.5 . . ?
C39 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C46 C45 Dy2 74.9(3) . . ?
C46 C45 C49 108.3(4) . . ?
C46 C45 C50 125.2(4) . . ?
C49 C45 Dy2 72.4(3) . . ?
C49 C45 C50 125.2(4) . . ?
C50 C45 Dy2 129.0(3) . . ?
C45 C46 Dy2 75.2(3) . . ?
C45 C46 C47 108.6(4) . . ?
C45 C46 C51 125.4(4) . . ?
C47 C46 Dy2 74.7(3) . . ?
C47 C46 C51 125.7(4) . . ?
C51 C46 Dy2 121.3(3) . . ?
C46 C47 Dy2 74.9(2) . . ?
C46 C47 C48 107.3(4) . . ?
C46 C47 C52 123.9(4) . . ?
C48 C47 Dy2 72.3(2) . . ?
C48 C47 C52 127.7(4) . . ?
C52 C47 Dy2 128.0(3) . . ?
C47 C48 Dy2 77.0(3) . . ?
C47 C48 C49 107.4(4) . . ?
C47 C48 C53 127.0(4) . . ?
C49 C48 Dy2 74.6(2) . . ?
C49 C48 C53 125.4(4) . . ?
C53 C48 Dy2 118.5(3) . . ?
C45 C49 Dy2 77.3(3) . . ?
C45 C49 C48 108.4(4) . . ?
C45 C49 C54 125.3(5) . . ?
C48 C49 Dy2 74.2(3) . . ?
C48 C49 C54 125.5(4) . . ?
C54 C49 Dy2 123.1(3) . . ?
C45 C50 H50A 109.5 . . ?
C45 C50 H50B 109.5 . . ?
C45 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C46 C51 H51A 109.5 . . ?
C46 C51 H51B 109.5 . . ?
C46 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C47 C52 H52A 109.5 . . ?
C47 C52 H52B 109.5 . . ?
C47 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C48 C53 H53A 109.5 . . ?
C48 C53 H53B 109.5 . . ?
C48 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C49 C54 H54A 109.5 . . ?
C49 C54 H54B 109.5 . . ?
C49 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C56 C55 Dy2 73.5(3) . . ?
C56 C55 C60 127.2(4) . . ?
C59 C55 Dy2 75.7(3) . . ?
C59 C55 C56 108.6(4) . . ?
C59 C55 C60 123.0(4) . . ?
C60 C55 Dy2 127.2(3) . . ?
C55 C56 Dy2 76.2(3) . . ?
C55 C56 C57 107.6(4) . . ?
C55 C56 C61 127.6(4) . . ?
C57 C56 Dy2 74.8(2) . . ?
C57 C56 C61 124.4(4) . . ?
C61 C56 Dy2 120.1(3) . . ?
C56 C57 Dy2 74.5(2) . . ?
C56 C57 C62 123.7(4) . . ?
C58 C57 Dy2 76.3(2) . . ?
C58 C57 C56 108.2(4) . . ?
C58 C57 C62 127.7(4) . . ?
C62 C57 Dy2 120.5(3) . . ?
C57 C58 Dy2 73.6(2) . . ?
C57 C58 C59 108.1(4) . . ?
C57 C58 C63 126.4(4) . . ?
C59 C58 Dy2 75.4(2) . . ?
C59 C58 C63 123.5(4) . . ?
C63 C58 Dy2 129.7(3) . . ?
C55 C59 Dy2 74.3(3) . . ?
C55 C59 C58 107.5(4) . . ?
C55 C59 C64 125.7(4) . . ?
C58 C59 Dy2 74.3(2) . . ?
C58 C59 C64 124.9(4) . . ?
C64 C59 Dy2 129.5(3) . . ?
C55 C60 H60A 109.5 . . ?
C55 C60 H60B 109.5 . . ?
C55 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C56 C61 H61A 109.5 . . ?
C56 C61 H61B 109.5 . . ?
C56 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C57 C62 H62A 109.5 . . ?
C57 C62 H62B 109.5 . . ?
C57 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C58 C63 H63A 109.5 . . ?
C58 C63 H63B 109.5 . . ?
C58 C63 H63C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C59 C64 H64A 109.5 . . ?
C59 C64 H64B 109.5 . . ?
C59 C64 H64C 109.5 . . ?
H64A C64 H64B 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C66 C65 B1 121.3(4) . . ?
C70 C65 C66 115.1(4) . . ?
C70 C65 B1 123.3(4) . . ?
C65 C66 H66 118.8 . . ?
C67 C66 C65 122.5(5) . . ?
C67 C66 H66 118.8 . . ?
C66 C67 H67 120.1 . . ?
C66 C67 C68 119.8(5) . . ?
C68 C67 H67 120.1 . . ?
C67 C68 H68 120.4 . . ?
C69 C68 C67 119.2(5) . . ?
C69 C68 H68 120.4 . . ?
C68 C69 H69 119.9 . . ?
C70 C69 C68 120.2(5) . . ?
C70 C69 H69 119.9 . . ?
C65 C70 H70 118.5 . . ?
C69 C70 C65 123.1(5) . . ?
C69 C70 H70 118.5 . . ?
C72 C71 C76 115.2(4) . . ?
C72 C71 B1 122.2(4) . . ?
C76 C71 B1 121.6(4) . . ?
C71 C72 H72 119.0 . . ?
C73 C72 C71 122.0(4) . . ?
C73 C72 H72 119.0 . . ?
C72 C73 H73 119.7 . . ?
C74 C73 C72 120.6(5) . . ?
C74 C73 H73 119.7 . . ?
C73 C74 H74 120.4 . . ?
C75 C74 C73 119.1(5) . . ?
C75 C74 H74 120.4 . . ?
C74 C75 H75 119.9 . . ?
C74 C75 C76 120.2(5) . . ?
C76 C75 H75 119.9 . . ?
C71 C76 H76 118.6 . . ?
C75 C76 C71 122.8(5) . . ?
C75 C76 H76 118.6 . . ?
C78 C77 B1 122.8(4) . . ?
C82 C77 C78 115.2(4) . . ?
C82 C77 B1 121.7(4) . . ?
C77 C78 H78 119.1 . . ?
C79 C78 C77 121.8(5) . . ?
C79 C78 H78 119.1 . . ?
C78 C79 H79 119.2 . . ?
C80 C79 C78 121.5(5) . . ?
C80 C79 H79 119.2 . . ?
C79 C80 H80 120.9 . . ?
C79 C80 C81 118.2(5) . . ?
C81 C80 H80 120.9 . . ?
C80 C81 H81 119.8 . . ?
C80 C81 C82 120.4(5) . . ?
C82 C81 H81 119.8 . . ?
C77 C82 C81 122.8(5) . . ?
C77 C82 H82 118.6 . . ?
C81 C82 H82 118.6 . . ?
C84 C83 B1 123.5(4) . . ?
C88 C83 C84 114.9(4) . . ?
C88 C83 B1 120.7(4) . . ?
C83 C84 H84 118.6 . . ?
C85 C84 C83 122.8(5) . . ?
C85 C84 H84 118.6 . . ?
C84 C85 H85 119.9 . . ?
C86 C85 C84 120.2(5) . . ?
C86 C85 H85 119.9 . . ?
C85 C86 H86 120.1 . . ?
C85 C86 C87 119.7(5) . . ?
C87 C86 H86 120.1 . . ?
C86 C87 H87 120.5 . . ?
C86 C87 C88 119.0(5) . . ?
C88 C87 H87 120.5 . . ?
C83 C88 C87 123.4(4) . . ?
C83 C88 H88 118.3 . . ?
C87 C88 H88 118.3 . . ?
C65 B1 C71 113.5(4) . . ?
C77 B1 C65 105.5(3) . . ?
C77 B1 C71 112.2(4) . . ?
C77 B1 C83 112.7(4) . . ?
C83 B1 C65 113.6(4) . . ?
C83 B1 C71 99.6(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 N1 C1 C2 169.3(3) . . . . ?
Dy1 N1 C5 C4 -166.3(3) . . . . ?
Dy1 N1 C5 C6 9.2(5) . . . . ?
Dy1 N2 C6 C5 14.3(5) . . . . ?
Dy1 N2 C6 C7 -165.1(3) . . . . ?
Dy1 N2 C9 C8 -167.7(3) . . . . ?
Dy1 N2 C9 C14 15.8(5) . . . . ?
Dy1 N3 C10 C11 170.5(3) . . . . ?
Dy1 N3 C14 C9 7.6(5) . . . . ?
Dy1 N3 C14 C13 -168.0(3) . . . . ?
Dy1 C25 C26 C27 69.7(3) . . . . ?
Dy1 C25 C26 C31 -116.9(4) . . . . ?
Dy1 C25 C29 C28 -67.6(3) . . . . ?
Dy1 C25 C29 C34 124.5(4) . . . . ?
Dy1 C26 C27 C28 66.7(3) . . . . ?
Dy1 C26 C27 C32 -126.7(5) . . . . ?
Dy1 C27 C28 C29 67.9(3) . . . . ?
Dy1 C27 C28 C33 -119.5(5) . . . . ?
Dy1 C28 C29 C25 66.0(3) . . . . ?
Dy1 C28 C29 C34 -125.4(4) . . . . ?
Dy1 C35 C36 C37 67.8(3) . . . . ?
Dy1 C35 C36 C41 -126.1(4) . . . . ?
Dy1 C35 C39 C38 -68.1(3) . . . . ?
Dy1 C35 C39 C44 121.6(4) . . . . ?
Dy1 C36 C37 C38 66.0(3) . . . . ?
Dy1 C36 C37 C42 -128.2(4) . . . . ?
Dy1 C37 C38 C39 69.2(3) . . . . ?
Dy1 C37 C38 C43 -121.5(4) . . . . ?
Dy1 C38 C39 C35 69.2(3) . . . . ?
Dy1 C38 C39 C44 -120.1(4) . . . . ?
Dy2 N4 C15 C16 165.3(4) . . . . ?
Dy2 N4 C19 C7 11.3(5) . . . . ?
Dy2 N4 C19 C18 -164.0(3) . . . . ?
Dy2 N5 C7 C6 -167.9(3) . . . . ?
Dy2 N5 C7 C19 17.3(5) . . . . ?
Dy2 N5 C8 C9 -164.7(3) . . . . ?
Dy2 N5 C8 C24 14.0(5) . . . . ?
Dy2 N6 C20 C21 174.5(4) . . . . ?
Dy2 N6 C24 C8 7.8(5) . . . . ?
Dy2 N6 C24 C23 -169.8(3) . . . . ?
Dy2 C45 C46 C47 67.8(3) . . . . ?
Dy2 C45 C46 C51 -118.2(4) . . . . ?
Dy2 C45 C49 C48 -68.4(3) . . . . ?
Dy2 C45 C49 C54 121.8(5) . . . . ?
Dy2 C46 C47 C48 65.6(3) . . . . ?
Dy2 C46 C47 C52 -125.9(4) . . . . ?
Dy2 C47 C48 C49 69.0(3) . . . . ?
Dy2 C47 C48 C53 -116.0(5) . . . . ?
Dy2 C48 C49 C45 70.5(3) . . . . ?
Dy2 C48 C49 C54 -119.7(5) . . . . ?
Dy2 C55 C56 C57 68.8(3) . . . . ?
Dy2 C55 C56 C61 -117.6(4) . . . . ?
Dy2 C55 C59 C58 -67.5(3) . . . . ?
Dy2 C55 C59 C64 127.7(4) . . . . ?
Dy2 C56 C57 C58 69.5(3) . . . . ?
Dy2 C56 C57 C62 -116.6(4) . . . . ?
Dy2 C57 C58 C59 68.1(3) . . . . ?
Dy2 C57 C58 C63 -127.7(5) . . . . ?
Dy2 C58 C59 C55 67.5(3) . . . . ?
Dy2 C58 C59 C64 -127.6(4) . . . . ?
O1S C1S C2S C3S -23.2(5) . . . . ?
O2S C5S C6S C7S 25.2(8) . . . . ?
O3S C9S C10S C11S -40.8(5) . . . . ?
N1 Dy1 N2 C6 -6.8(3) . . . . ?
N1 Dy1 N2 C9 170.6(4) . . . . ?
N1 Dy1 N3 C10 -172.5(3) . . . . ?
N1 Dy1 N3 C14 -0.8(4) . . . . ?
N1 Dy1 C25 C26 -169.7(3) . . . . ?
N1 Dy1 C25 C29 -56.8(3) . . . . ?
N1 Dy1 C25 C30 68.7(4) . . . . ?
N1 Dy1 C26 C25 11.9(3) . . . . ?
N1 Dy1 C26 C27 -101.6(3) . . . . ?
N1 Dy1 C26 C31 133.8(3) . . . . ?
N1 Dy1 C27 C26 96.5(3) . . . . ?
N1 Dy1 C27 C28 -19.2(3) . . . . ?
N1 Dy1 C27 C32 -139.6(4) . . . . ?
N1 Dy1 C28 C27 163.6(3) . . . . ?
N1 Dy1 C28 C29 50.4(3) . . . . ?
N1 Dy1 C28 C33 -71.4(4) . . . . ?
N1 Dy1 C29 C25 119.0(3) . . . . ?
N1 Dy1 C29 C28 -126.4(3) . . . . ?
N1 Dy1 C29 C34 -5.8(4) . . . . ?
N1 Dy1 C35 C36 -49.7(3) . . . . ?
N1 Dy1 C35 C39 63.8(3) . . . . ?
N1 Dy1 C35 C40 -172.4(4) . . . . ?
N1 Dy1 C36 C35 139.5(3) . . . . ?
N1 Dy1 C36 C37 24.4(3) . . . . ?
N1 Dy1 C36 C41 -99.5(4) . . . . ?
N1 Dy1 C37 C36 -155.3(3) . . . . ?
N1 Dy1 C37 C38 90.5(3) . . . . ?
N1 Dy1 C37 C42 -31.1(4) . . . . ?
N1 Dy1 C38 C37 -81.8(3) . . . . ?
N1 Dy1 C38 C39 165.0(3) . . . . ?
N1 Dy1 C38 C43 43.2(4) . . . . ?
N1 Dy1 C39 C35 -128.7(3) . . . . ?
N1 Dy1 C39 C38 -15.3(3) . . . . ?
N1 Dy1 C39 C44 105.4(4) . . . . ?
N1 C1 C2 C3 -2.4(7) . . . . ?
N1 C5 C6 N2 -15.2(5) . . . . ?
N1 C5 C6 C7 164.1(4) . . . . ?
N2 Dy1 N1 C1 -171.6(3) . . . . ?
N2 Dy1 N1 C5 -1.6(3) . . . . ?
N2 Dy1 N3 C10 -171.7(3) . . . . ?
N2 Dy1 N3 C14 0.0(3) . . . . ?
N2 Dy1 C25 C26 -111.6(3) . . . . ?
N2 Dy1 C25 C29 1.3(3) . . . . ?
N2 Dy1 C25 C30 126.7(4) . . . . ?
N2 Dy1 C26 C25 95.6(3) . . . . ?
N2 Dy1 C26 C27 -17.9(3) . . . . ?
N2 Dy1 C26 C31 -142.5(3) . . . . ?
N2 Dy1 C27 C26 166.6(3) . . . . ?
N2 Dy1 C27 C28 50.9(3) . . . . ?
N2 Dy1 C27 C32 -69.5(4) . . . . ?
N2 Dy1 C28 C27 -130.8(3) . . . . ?
N2 Dy1 C28 C29 116.0(3) . . . . ?
N2 Dy1 C28 C33 -5.7(4) . . . . ?
N2 Dy1 C29 C25 -179.0(3) . . . . ?
N2 Dy1 C29 C28 -64.4(3) . . . . ?
N2 Dy1 C29 C34 56.2(4) . . . . ?
N2 Dy1 C35 C36 -129.1(3) . . . . ?
N2 Dy1 C35 C39 -15.7(3) . . . . ?
N2 Dy1 C35 C40 108.1(4) . . . . ?
N2 Dy1 C36 C35 71.4(3) . . . . ?
N2 Dy1 C36 C37 -43.7(3) . . . . ?
N2 Dy1 C36 C41 -167.6(4) . . . . ?
N2 Dy1 C37 C36 148.3(3) . . . . ?
N2 Dy1 C37 C38 34.1(3) . . . . ?
N2 Dy1 C37 C42 -87.5(4) . . . . ?
N2 Dy1 C38 C37 -148.3(3) . . . . ?
N2 Dy1 C38 C39 98.5(3) . . . . ?
N2 Dy1 C38 C43 -23.2(4) . . . . ?
N2 Dy1 C39 C35 166.4(3) . . . . ?
N2 Dy1 C39 C38 -80.2(3) . . . . ?
N2 Dy1 C39 C44 40.5(4) . . . . ?
N2 C6 C7 N5 -27.8(6) . . . . ?
N2 C6 C7 C19 146.4(4) . . . . ?
N2 C9 C14 N3 -14.9(5) . . . . ?
N2 C9 C14 C13 160.5(4) . . . . ?
N3 Dy1 N1 C1 -170.8(3) . . . . ?
N3 Dy1 N1 C5 -0.9(4) . . . . ?
N3 Dy1 N2 C6 173.8(3) . . . . ?
N3 Dy1 N2 C9 -8.7(3) . . . . ?
N3 Dy1 C25 C26 -30.4(3) . . . . ?
N3 Dy1 C25 C29 82.5(3) . . . . ?
N3 Dy1 C25 C30 -152.1(3) . . . . ?
N3 Dy1 C26 C25 154.3(3) . . . . ?
N3 Dy1 C26 C27 40.9(3) . . . . ?
N3 Dy1 C26 C31 -83.8(4) . . . . ?
N3 Dy1 C27 C26 -136.5(3) . . . . ?
N3 Dy1 C27 C28 107.8(3) . . . . ?
N3 Dy1 C27 C32 -12.6(4) . . . . ?
N3 Dy1 C28 C27 -65.5(3) . . . . ?
N3 Dy1 C28 C29 -178.7(3) . . . . ?
N3 Dy1 C28 C33 59.5(4) . . . . ?
N3 Dy1 C29 C25 -113.2(3) . . . . ?
N3 Dy1 C29 C28 1.4(3) . . . . ?
N3 Dy1 C29 C34 122.0(4) . . . . ?
N3 Dy1 C35 C36 175.6(3) . . . . ?
N3 Dy1 C35 C39 -71.0(3) . . . . ?
N3 Dy1 C35 C40 52.8(4) . . . . ?
N3 Dy1 C36 C35 -4.7(3) . . . . ?
N3 Dy1 C36 C37 -119.9(3) . . . . ?
N3 Dy1 C36 C41 116.3(4) . . . . ?
N3 Dy1 C37 C36 75.3(3) . . . . ?
N3 Dy1 C37 C38 -38.9(3) . . . . ?
N3 Dy1 C37 C42 -160.5(4) . . . . ?
N3 Dy1 C38 C37 148.2(3) . . . . ?
N3 Dy1 C38 C39 35.0(3) . . . . ?
N3 Dy1 C38 C43 -86.8(4) . . . . ?
N3 Dy1 C39 C35 102.8(3) . . . . ?
N3 Dy1 C39 C38 -143.9(3) . . . . ?
N3 Dy1 C39 C44 -23.2(4) . . . . ?
N3 C10 C11 C12 -1.5(7) . . . . ?
N4 Dy2 N5 C7 -8.5(3) . . . . ?
N4 Dy2 N5 C8 174.4(4) . . . . ?
N4 Dy2 N6 C20 -172.6(3) . . . . ?
N4 Dy2 N6 C24 1.1(4) . . . . ?
N4 Dy2 C45 C46 108.9(3) . . . . ?
N4 Dy2 C45 C49 -135.9(3) . . . . ?
N4 Dy2 C45 C50 -14.4(4) . . . . ?
N4 Dy2 C46 C45 -64.7(3) . . . . ?
N4 Dy2 C46 C47 -179.2(3) . . . . ?
N4 Dy2 C46 C51 58.0(4) . . . . ?
N4 Dy2 C47 C46 0.8(3) . . . . ?
N4 Dy2 C47 C48 -113.3(3) . . . . ?
N4 Dy2 C47 C52 122.3(4) . . . . ?
N4 Dy2 C48 C47 82.7(3) . . . . ?
N4 Dy2 C48 C49 -29.7(3) . . . . ?
N4 Dy2 C48 C53 -152.0(3) . . . . ?
N4 Dy2 C49 C45 41.5(3) . . . . ?
N4 Dy2 C49 C48 155.0(3) . . . . ?
N4 Dy2 C49 C54 -82.6(4) . . . . ?
N4 Dy2 C55 C56 -47.8(3) . . . . ?
N4 Dy2 C55 C59 67.0(3) . . . . ?
N4 Dy2 C55 C60 -172.3(3) . . . . ?
N4 Dy2 C56 C55 141.6(2) . . . . ?
N4 Dy2 C56 C57 28.7(3) . . . . ?
N4 Dy2 C56 C61 -92.6(3) . . . . ?
N4 Dy2 C57 C56 -151.1(3) . . . . ?
N4 Dy2 C57 C58 95.3(3) . . . . ?
N4 Dy2 C57 C62 -30.7(3) . . . . ?
N4 Dy2 C58 C57 -78.2(3) . . . . ?
N4 Dy2 C58 C59 167.5(3) . . . . ?
N4 Dy2 C58 C63 45.9(4) . . . . ?
N4 Dy2 C59 C55 -126.8(3) . . . . ?
N4 Dy2 C59 C58 -13.1(3) . . . . ?
N4 Dy2 C59 C64 109.5(4) . . . . ?
N4 C15 C16 C17 -1.2(7) . . . . ?
N5 Dy2 N4 C15 -169.2(3) . . . . ?
N5 Dy2 N4 C19 -2.1(3) . . . . ?
N5 Dy2 N6 C20 -174.5(4) . . . . ?
N5 Dy2 N6 C24 -0.8(3) . . . . ?
N5 Dy2 C45 C46 52.0(3) . . . . ?
N5 Dy2 C45 C49 167.2(3) . . . . ?
N5 Dy2 C45 C50 -71.4(4) . . . . ?
N5 Dy2 C46 C45 -130.3(3) . . . . ?
N5 Dy2 C46 C47 115.2(3) . . . . ?
N5 Dy2 C46 C51 -7.6(4) . . . . ?
N5 Dy2 C47 C46 -66.0(3) . . . . ?
N5 Dy2 C47 C48 179.9(3) . . . . ?
N5 Dy2 C47 C52 55.5(4) . . . . ?
N5 Dy2 C48 C47 -0.1(3) . . . . ?
N5 Dy2 C48 C49 -112.6(3) . . . . ?
N5 Dy2 C48 C53 125.1(3) . . . . ?
N5 Dy2 C49 C45 -17.4(3) . . . . ?
N5 Dy2 C49 C48 96.1(3) . . . . ?
N5 Dy2 C49 C54 -141.5(4) . . . . ?
N5 Dy2 C55 C56 27.8(3) . . . . ?
N5 Dy2 C55 C59 142.6(2) . . . . ?
N5 Dy2 C55 C60 -96.7(4) . . . . ?
N5 Dy2 C56 C55 -154.7(3) . . . . ?
N5 Dy2 C56 C57 92.4(3) . . . . ?
N5 Dy2 C56 C61 -28.9(3) . . . . ?
N5 Dy2 C57 C56 -86.1(3) . . . . ?
N5 Dy2 C57 C58 160.2(3) . . . . ?
N5 Dy2 C57 C62 34.3(4) . . . . ?
N5 Dy2 C58 C57 -22.2(3) . . . . ?
N5 Dy2 C58 C59 -136.5(3) . . . . ?
N5 Dy2 C58 C63 101.9(4) . . . . ?
N5 Dy2 C59 C55 -52.4(3) . . . . ?
N5 Dy2 C59 C58 61.3(3) . . . . ?
N5 Dy2 C59 C64 -176.1(4) . . . . ?
N5 C7 C19 N4 -18.5(5) . . . . ?
N5 C7 C19 C18 156.7(4) . . . . ?
N5 C8 C9 N2 -28.4(6) . . . . ?
N5 C8 C9 C14 147.7(4) . . . . ?
N5 C8 C24 N6 -14.0(6) . . . . ?
N5 C8 C24 C23 163.6(4) . . . . ?
N6 Dy2 N4 C15 -171.1(3) . . . . ?
N6 Dy2 N4 C19 -4.0(4) . . . . ?
N6 Dy2 N5 C7 169.9(4) . . . . ?
N6 Dy2 N5 C8 -7.2(3) . . . . ?
N6 Dy2 C45 C46 -17.6(3) . . . . ?
N6 Dy2 C45 C49 97.6(3) . . . . ?
N6 Dy2 C45 C50 -140.9(4) . . . . ?
N6 Dy2 C46 C45 164.9(3) . . . . ?
N6 Dy2 C46 C47 50.4(3) . . . . ?
N6 Dy2 C46 C51 -72.4(4) . . . . ?
N6 Dy2 C47 C46 -126.4(3) . . . . ?
N6 Dy2 C47 C48 119.5(3) . . . . ?
N6 Dy2 C47 C52 -4.9(4) . . . . ?
N6 Dy2 C48 C47 -56.3(3) . . . . ?
N6 Dy2 C48 C49 -168.8(3) . . . . ?
N6 Dy2 C48 C53 68.9(4) . . . . ?
N6 Dy2 C49 C45 -100.6(3) . . . . ?
N6 Dy2 C49 C48 12.9(3) . . . . ?
N6 Dy2 C49 C54 135.4(4) . . . . ?
N6 Dy2 C55 C56 83.1(3) . . . . ?
N6 Dy2 C55 C59 -162.2(3) . . . . ?
N6 Dy2 C55 C60 -41.4(4) . . . . ?
N6 Dy2 C56 C55 -89.6(3) . . . . ?
N6 Dy2 C56 C57 157.5(3) . . . . ?
N6 Dy2 C56 C61 36.2(3) . . . . ?
N6 Dy2 C57 C56 -22.5(3) . . . . ?
N6 Dy2 C57 C58 -136.1(3) . . . . ?
N6 Dy2 C57 C62 97.9(4) . . . . ?
N6 Dy2 C58 C57 54.4(3) . . . . ?
N6 Dy2 C58 C59 -60.0(3) . . . . ?
N6 Dy2 C58 C63 178.4(4) . . . . ?
N6 Dy2 C59 C55 18.2(3) . . . . ?
N6 Dy2 C59 C58 131.9(3) . . . . ?
N6 Dy2 C59 C64 -105.5(4) . . . . ?
N6 C20 C21 C22 -4.1(7) . . . . ?
C1 N1 C5 C4 4.1(6) . . . . ?
C1 N1 C5 C6 179.6(4) . . . . ?
C1 C2 C3 C4 2.7(6) . . . . ?
C1S O1S C4S C3S -39.3(5) . . . . ?
C1S C2S C3S C4S -0.2(6) . . . . ?
C2 C3 C4 C5 0.3(6) . . . . ?
C2S C3S C4S O1S 23.4(5) . . . . ?
C3 C4 C5 N1 -3.9(6) . . . . ?
C3 C4 C5 C6 -179.0(4) . . . . ?
C4 C5 C6 N2 160.3(4) . . . . ?
C4 C5 C6 C7 -20.4(7) . . . . ?
C4S O1S C1S C2S 39.5(5) . . . . ?
C5 N1 C1 C2 -1.0(6) . . . . ?
C5 C6 C7 N5 152.9(4) . . . . ?
C5 C6 C7 C19 -32.9(7) . . . . ?
C5S O2S C8S C7S 6.4(7) . . . . ?
C5S C6S C7S C8S -20.1(7) . . . . ?
C6 N2 C9 C8 9.8(6) . . . . ?
C6 N2 C9 C14 -166.8(4) . . . . ?
C6 C7 C19 N4 167.1(4) . . . . ?
C6 C7 C19 C18 -17.7(7) . . . . ?
C6S C7S C8S O2S 9.0(6) . . . . ?
C7 N5 C8 C9 18.1(6) . . . . ?
C7 N5 C8 C24 -163.2(4) . . . . ?
C8 N5 C7 C6 9.3(6) . . . . ?
C8 N5 C7 C19 -165.5(4) . . . . ?
C8 C9 C14 N3 168.9(4) . . . . ?
C8 C9 C14 C13 -15.7(7) . . . . ?
C8S O2S C5S C6S -20.0(8) . . . . ?
C9 N2 C6 C5 -163.3(4) . . . . ?
C9 N2 C6 C7 17.4(6) . . . . ?
C9 C8 C24 N6 164.6(4) . . . . ?
C9 C8 C24 C23 -17.8(7) . . . . ?
C9S O3S C12S C11S -26.3(6) . . . . ?
C9S C10S C11S C12S 23.5(6) . . . . ?
C10 N3 C14 C9 179.4(4) . . . . ?
C10 N3 C14 C13 3.8(6) . . . . ?
C10 C11 C12 C13 1.9(6) . . . . ?
C10S C11S C12S O3S 0.0(6) . . . . ?
C11 C12 C13 C14 0.4(6) . . . . ?
C12 C13 C14 N3 -3.4(6) . . . . ?
C12 C13 C14 C9 -178.6(4) . . . . ?
C12S O3S C9S C10S 42.6(5) . . . . ?
C14 N3 C10 C11 -1.4(6) . . . . ?
C15 N4 C19 C7 178.8(4) . . . . ?
C15 N4 C19 C18 3.5(6) . . . . ?
C15 C16 C17 C18 3.1(7) . . . . ?
C16 C17 C18 C19 -1.8(7) . . . . ?
C17 C18 C19 N4 -1.6(7) . . . . ?
C17 C18 C19 C7 -176.5(4) . . . . ?
C19 N4 C15 C16 -2.1(6) . . . . ?
C20 N6 C24 C8 -178.2(4) . . . . ?
C20 N6 C24 C23 4.1(6) . . . . ?
C20 C21 C22 C23 2.9(7) . . . . ?
C21 C22 C23 C24 1.5(7) . . . . ?
C22 C23 C24 N6 -5.2(7) . . . . ?
C22 C23 C24 C8 177.3(4) . . . . ?
C24 N6 C20 C21 0.6(7) . . . . ?
C24 C8 C9 N2 153.0(4) . . . . ?
C24 C8 C9 C14 -30.9(7) . . . . ?
C25 Dy1 N1 C1 -38.3(3) . . . . ?
C25 Dy1 N1 C5 131.7(3) . . . . ?
C25 Dy1 N2 C6 -75.1(3) . . . . ?
C25 Dy1 N2 C9 102.4(3) . . . . ?
C25 Dy1 N3 C10 67.1(3) . . . . ?
C25 Dy1 N3 C14 -121.2(3) . . . . ?
C25 Dy1 C26 C27 -113.4(4) . . . . ?
C25 Dy1 C26 C31 121.9(5) . . . . ?
C25 Dy1 C27 C26 37.8(3) . . . . ?
C25 Dy1 C27 C28 -77.9(3) . . . . ?
C25 Dy1 C27 C32 161.7(5) . . . . ?
C25 Dy1 C28 C27 76.3(3) . . . . ?
C25 Dy1 C28 C29 -36.9(3) . . . . ?
C25 Dy1 C28 C33 -158.7(5) . . . . ?
C25 Dy1 C29 C28 114.6(4) . . . . ?
C25 Dy1 C29 C34 -124.8(5) . . . . ?
C25 Dy1 C35 C36 54.8(3) . . . . ?
C25 Dy1 C35 C39 168.2(3) . . . . ?
C25 Dy1 C35 C40 -68.0(4) . . . . ?
C25 Dy1 C36 C35 -130.6(3) . . . . ?
C25 Dy1 C36 C37 114.3(3) . . . . ?
C25 Dy1 C36 C41 -9.6(4) . . . . ?
C25 Dy1 C37 C36 -70.1(3) . . . . ?
C25 Dy1 C37 C38 175.8(3) . . . . ?
C25 Dy1 C37 C42 54.1(4) . . . . ?
C25 Dy1 C38 C37 -5.8(3) . . . . ?
C25 Dy1 C38 C39 -119.0(3) . . . . ?
C25 Dy1 C38 C43 119.3(4) . . . . ?
C25 Dy1 C39 C35 -17.7(4) . . . . ?
C25 Dy1 C39 C38 95.6(3) . . . . ?
C25 Dy1 C39 C44 -143.7(4) . . . . ?
C25 C26 C27 Dy1 -67.7(3) . . . . ?
C25 C26 C27 C28 -1.1(5) . . . . ?
C25 C26 C27 C32 165.6(4) . . . . ?
C26 Dy1 N1 C1 -44.3(4) . . . . ?
C26 Dy1 N1 C5 125.6(3) . . . . ?
C26 Dy1 N2 C6 -115.8(3) . . . . ?
C26 Dy1 N2 C9 61.7(4) . . . . ?
C26 Dy1 N3 C10 52.0(3) . . . . ?
C26 Dy1 N3 C14 -136.3(3) . . . . ?
C26 Dy1 C25 C29 112.9(4) . . . . ?
C26 Dy1 C25 C30 -121.7(5) . . . . ?
C26 Dy1 C27 C28 -115.7(4) . . . . ?
C26 Dy1 C27 C32 123.9(6) . . . . ?
C26 Dy1 C28 C27 36.0(3) . . . . ?
C26 Dy1 C28 C29 -77.3(3) . . . . ?
C26 Dy1 C28 C33 161.0(5) . . . . ?
C26 Dy1 C29 C25 -37.8(3) . . . . ?
C26 Dy1 C29 C28 76.8(3) . . . . ?
C26 Dy1 C29 C34 -162.6(5) . . . . ?
C26 Dy1 C35 C36 82.4(3) . . . . ?
C26 Dy1 C35 C39 -164.1(3) . . . . ?
C26 Dy1 C35 C40 -40.3(4) . . . . ?
C26 Dy1 C36 C35 -99.7(3) . . . . ?
C26 Dy1 C36 C37 145.2(3) . . . . ?
C26 Dy1 C36 C41 21.3(4) . . . . ?
C26 Dy1 C37 C36 -39.3(3) . . . . ?
C26 Dy1 C37 C38 -153.5(2) . . . . ?
C26 Dy1 C37 C42 84.9(4) . . . . ?
C26 Dy1 C38 C37 40.1(4) . . . . ?
C26 Dy1 C38 C39 -73.1(3) . . . . ?
C26 Dy1 C38 C43 165.1(3) . . . . ?
C26 Dy1 C39 C35 19.5(3) . . . . ?
C26 Dy1 C39 C38 132.8(3) . . . . ?
C26 Dy1 C39 C44 -106.5(4) . . . . ?
C26 C25 C29 Dy1 69.5(3) . . . . ?
C26 C25 C29 C28 1.8(5) . . . . ?
C26 C25 C29 C34 -166.1(4) . . . . ?
C26 C27 C28 Dy1 -65.7(3) . . . . ?
C26 C27 C28 C29 2.2(5) . . . . ?
C26 C27 C28 C33 174.8(4) . . . . ?
C27 Dy1 N1 C1 -79.4(3) . . . . ?
C27 Dy1 N1 C5 90.6(3) . . . . ?
C27 Dy1 N2 C6 -124.9(3) . . . . ?
C27 Dy1 N2 C9 52.6(3) . . . . ?
C27 Dy1 N3 C10 72.3(3) . . . . ?
C27 Dy1 N3 C14 -116.0(3) . . . . ?
C27 Dy1 C25 C26 -36.8(3) . . . . ?
C27 Dy1 C25 C29 76.1(3) . . . . ?
C27 Dy1 C25 C30 -158.5(4) . . . . ?
C27 Dy1 C26 C25 113.4(4) . . . . ?
C27 Dy1 C26 C31 -124.6(5) . . . . ?
C27 Dy1 C28 C29 -113.2(4) . . . . ?
C27 Dy1 C28 C33 125.0(5) . . . . ?
C27 Dy1 C29 C25 -77.3(3) . . . . ?
C27 Dy1 C29 C28 37.2(3) . . . . ?
C27 Dy1 C29 C34 157.9(5) . . . . ?
C27 Dy1 C35 C36 109.2(3) . . . . ?
C27 Dy1 C35 C39 -137.4(3) . . . . ?
C27 Dy1 C35 C40 -13.6(5) . . . . ?
C27 Dy1 C36 C35 -84.9(3) . . . . ?
C27 Dy1 C36 C37 159.9(3) . . . . ?
C27 Dy1 C36 C41 36.1(5) . . . . ?
C27 Dy1 C37 C36 -32.1(4) . . . . ?
C27 Dy1 C37 C38 -146.2(3) . . . . ?
C27 Dy1 C37 C42 92.1(5) . . . . ?
C27 Dy1 C38 C37 91.2(5) . . . . ?
C27 Dy1 C38 C39 -22.0(6) . . . . ?
C27 Dy1 C38 C43 -143.8(4) . . . . ?
C27 Dy1 C39 C35 57.5(3) . . . . ?
C27 Dy1 C39 C38 170.8(2) . . . . ?
C27 Dy1 C39 C44 -68.4(4) . . . . ?
C27 C28 C29 Dy1 -68.5(3) . . . . ?
C27 C28 C29 C25 -2.5(5) . . . . ?
C27 C28 C29 C34 166.1(4) . . . . ?
C28 Dy1 N1 C1 -88.9(3) . . . . ?
C28 Dy1 N1 C5 81.0(3) . . . . ?
C28 Dy1 N2 C6 -101.8(3) . . . . ?
C28 Dy1 N2 C9 75.7(3) . . . . ?
C28 Dy1 N3 C10 101.2(3) . . . . ?
C28 Dy1 N3 C14 -87.1(3) . . . . ?
C28 Dy1 C25 C26 -76.3(3) . . . . ?
C28 Dy1 C25 C29 36.6(3) . . . . ?
C28 Dy1 C25 C30 162.0(5) . . . . ?
C28 Dy1 C26 C25 77.4(3) . . . . ?
C28 Dy1 C26 C27 -36.1(3) . . . . ?
C28 Dy1 C26 C31 -160.7(4) . . . . ?
C28 Dy1 C27 C26 115.7(4) . . . . ?
C28 Dy1 C27 C32 -120.4(6) . . . . ?
C28 Dy1 C29 C25 -114.6(4) . . . . ?
C28 Dy1 C29 C34 120.6(5) . . . . ?
C28 Dy1 C35 C36 108.1(3) . . . . ?
C28 Dy1 C35 C39 -138.5(3) . . . . ?
C28 Dy1 C35 C40 -14.7(5) . . . . ?
C28 Dy1 C36 C35 -111.4(3) . . . . ?
C28 Dy1 C36 C37 133.4(3) . . . . ?
C28 Dy1 C36 C41 9.6(5) . . . . ?
C28 Dy1 C37 C36 -91.5(4) . . . . ?
C28 Dy1 C37 C38 154.4(3) . . . . ?
C28 Dy1 C37 C42 32.7(6) . . . . ?
C28 Dy1 C38 C37 -115.5(6) . . . . ?
C28 Dy1 C38 C39 131.3(6) . . . . ?
C28 Dy1 C38 C43 9.5(9) . . . . ?
C28 Dy1 C39 C35 90.4(4) . . . . ?
C28 Dy1 C39 C38 -156.2(3) . . . . ?
C28 Dy1 C39 C44 -35.5(6) . . . . ?
C29 Dy1 N1 C1 -64.8(3) . . . . ?
C29 Dy1 N1 C5 105.1(3) . . . . ?
C29 Dy1 N2 C6 -74.4(3) . . . . ?
C29 Dy1 N2 C9 103.0(3) . . . . ?
C29 Dy1 N3 C10 100.5(3) . . . . ?
C29 Dy1 N3 C14 -87.8(3) . . . . ?
C29 Dy1 C25 C26 -112.9(4) . . . . ?
C29 Dy1 C25 C30 125.4(5) . . . . ?
C29 Dy1 C26 C25 37.6(3) . . . . ?
C29 Dy1 C26 C27 -75.9(3) . . . . ?
C29 Dy1 C26 C31 159.5(4) . . . . ?
C29 Dy1 C27 C26 78.2(3) . . . . ?
C29 Dy1 C27 C28 -37.5(3) . . . . ?
C29 Dy1 C27 C32 -157.9(5) . . . . ?
C29 Dy1 C28 C27 113.2(4) . . . . ?
C29 Dy1 C28 C33 -121.8(5) . . . . ?
C29 Dy1 C35 C36 57.3(4) . . . . ?
C29 Dy1 C35 C39 170.7(3) . . . . ?
C29 Dy1 C35 C40 -65.5(5) . . . . ?
C29 Dy1 C36 C35 -143.1(3) . . . . ?
C29 Dy1 C36 C37 101.8(3) . . . . ?
C29 Dy1 C36 C41 -22.0(5) . . . . ?
C29 Dy1 C37 C36 -97.3(3) . . . . ?
C29 Dy1 C37 C38 148.5(3) . . . . ?
C29 Dy1 C37 C42 26.9(5) . . . . ?
C29 Dy1 C38 C37 -51.7(4) . . . . ?
C29 Dy1 C38 C39 -164.9(3) . . . . ?
C29 Dy1 C38 C43 73.4(5) . . . . ?
C29 Dy1 C39 C35 -40.1(10) . . . . ?
C29 Dy1 C39 C38 73.2(10) . . . . ?
C29 Dy1 C39 C44 -166.1(8) . . . . ?
C29 C25 C26 Dy1 -70.2(3) . . . . ?
C29 C25 C26 C27 -0.5(5) . . . . ?
C29 C25 C26 C31 172.9(4) . . . . ?
C30 C25 C26 Dy1 120.7(4) . . . . ?
C30 C25 C26 C27 -169.6(4) . . . . ?
C30 C25 C26 C31 3.8(7) . . . . ?
C30 C25 C29 Dy1 -121.8(5) . . . . ?
C30 C25 C29 C28 170.6(4) . . . . ?
C30 C25 C29 C34 2.7(7) . . . . ?
C31 C26 C27 Dy1 118.9(4) . . . . ?
C31 C26 C27 C28 -174.4(4) . . . . ?
C31 C26 C27 C32 -7.8(7) . . . . ?
C32 C27 C28 Dy1 127.1(4) . . . . ?
C32 C27 C28 C29 -165.0(4) . . . . ?
C32 C27 C28 C33 7.6(7) . . . . ?
C33 C28 C29 Dy1 118.7(4) . . . . ?
C33 C28 C29 C25 -175.3(4) . . . . ?
C33 C28 C29 C34 -6.7(7) . . . . ?
C35 Dy1 N1 C1 77.6(3) . . . . ?
C35 Dy1 N1 C5 -112.4(3) . . . . ?
C35 Dy1 N2 C6 109.5(3) . . . . ?
C35 Dy1 N2 C9 -73.0(3) . . . . ?
C35 Dy1 N3 C10 -43.9(3) . . . . ?
C35 Dy1 N3 C14 127.8(3) . . . . ?
C35 Dy1 C25 C26 64.1(3) . . . . ?
C35 Dy1 C25 C29 177.0(3) . . . . ?
C35 Dy1 C25 C30 -57.6(4) . . . . ?
C35 Dy1 C26 C25 -122.8(3) . . . . ?
C35 Dy1 C26 C27 123.7(3) . . . . ?
C35 Dy1 C26 C31 -0.9(4) . . . . ?
C35 Dy1 C27 C26 -63.0(3) . . . . ?
C35 Dy1 C27 C28 -178.7(3) . . . . ?
C35 Dy1 C27 C32 61.0(5) . . . . ?
C35 Dy1 C28 C27 2.0(4) . . . . ?
C35 Dy1 C28 C29 -111.2(3) . . . . ?
C35 Dy1 C28 C33 127.0(4) . . . . ?
C35 Dy1 C29 C25 -4.6(4) . . . . ?
C35 Dy1 C29 C28 110.0(3) . . . . ?
C35 Dy1 C29 C34 -129.4(4) . . . . ?
C35 Dy1 C36 C37 -115.2(4) . . . . ?
C35 Dy1 C36 C41 121.0(5) . . . . ?
C35 Dy1 C37 C36 36.4(3) . . . . ?
C35 Dy1 C37 C38 -77.7(3) . . . . ?
C35 Dy1 C37 C42 160.6(5) . . . . ?
C35 Dy1 C38 C37 76.0(3) . . . . ?
C35 Dy1 C38 C39 -37.3(3) . . . . ?
C35 Dy1 C38 C43 -159.0(4) . . . . ?
C35 Dy1 C39 C38 113.3(4) . . . . ?
C35 Dy1 C39 C44 -125.9(5) . . . . ?
C35 C36 C37 Dy1 -67.3(3) . . . . ?
C35 C36 C37 C38 -1.3(5) . . . . ?
C35 C36 C37 C42 164.5(4) . . . . ?
C36 Dy1 N1 C1 54.7(3) . . . . ?
C36 Dy1 N1 C5 -135.4(3) . . . . ?
C36 Dy1 N2 C6 76.4(4) . . . . ?
C36 Dy1 N2 C9 -106.1(3) . . . . ?
C36 Dy1 N3 C10 -41.5(3) . . . . ?
C36 Dy1 N3 C14 130.2(3) . . . . ?
C36 Dy1 C25 C26 88.2(3) . . . . ?
C36 Dy1 C25 C29 -158.9(3) . . . . ?
C36 Dy1 C25 C30 -33.4(4) . . . . ?
C36 Dy1 C26 C25 -93.1(3) . . . . ?
C36 Dy1 C26 C27 153.5(3) . . . . ?
C36 Dy1 C26 C31 28.8(4) . . . . ?
C36 Dy1 C27 C26 -30.5(3) . . . . ?
C36 Dy1 C27 C28 -146.2(3) . . . . ?
C36 Dy1 C27 C32 93.4(4) . . . . ?
C36 Dy1 C28 C27 51.3(4) . . . . ?
C36 Dy1 C28 C29 -61.9(4) . . . . ?
C36 Dy1 C28 C33 176.3(3) . . . . ?
C36 Dy1 C29 C25 25.0(3) . . . . ?
C36 Dy1 C29 C28 139.5(3) . . . . ?
C36 Dy1 C29 C34 -99.8(4) . . . . ?
C36 Dy1 C35 C39 113.4(4) . . . . ?
C36 Dy1 C35 C40 -122.8(5) . . . . ?
C36 Dy1 C37 C38 -114.2(4) . . . . ?
C36 Dy1 C37 C42 124.2(5) . . . . ?
C36 Dy1 C38 C37 36.4(3) . . . . ?
C36 Dy1 C38 C39 -76.8(3) . . . . ?
C36 Dy1 C38 C43 161.4(4) . . . . ?
C36 Dy1 C39 C35 -37.0(3) . . . . ?
C36 Dy1 C39 C38 76.4(3) . . . . ?
C36 Dy1 C39 C44 -162.9(5) . . . . ?
C36 C35 C39 Dy1 68.6(3) . . . . ?
C36 C35 C39 C38 0.5(5) . . . . ?
C36 C35 C39 C44 -169.8(4) . . . . ?
C36 C37 C38 Dy1 -67.6(3) . . . . ?
C36 C37 C38 C39 1.6(5) . . . . ?
C36 C37 C38 C43 170.9(4) . . . . ?
C37 C38 C39 Dy1 -70.5(3) . . . . ?
C37 C38 C39 C35 -1.3(5) . . . . ?
C37 C38 C39 C44 169.4(4) . . . . ?
C38 Dy1 N1 C1 98.1(3) . . . . ?
C38 Dy1 N1 C5 -92.0(3) . . . . ?
C38 Dy1 N2 C6 71.4(3) . . . . ?
C38 Dy1 N2 C9 -111.1(3) . . . . ?
C38 Dy1 N3 C10 -91.5(3) . . . . ?
C38 Dy1 N3 C14 80.2(3) . . . . ?
C38 Dy1 C25 C26 119.1(3) . . . . ?
C38 Dy1 C25 C29 -128.0(3) . . . . ?
C38 Dy1 C25 C30 -2.6(5) . . . . ?
C38 Dy1 C26 C25 -95.9(3) . . . . ?
C38 Dy1 C26 C27 150.7(3) . . . . ?
C38 Dy1 C26 C31 26.0(5) . . . . ?
C38 Dy1 C27 C26 -75.5(5) . . . . ?
C38 Dy1 C27 C28 168.8(4) . . . . ?
C38 Dy1 C27 C32 48.4(7) . . . . ?
C38 Dy1 C28 C27 -163.6(6) . . . . ?
C38 Dy1 C28 C29 83.2(7) . . . . ?
C38 Dy1 C28 C33 -38.6(9) . . . . ?
C38 Dy1 C29 C25 88.2(3) . . . . ?
C38 Dy1 C29 C28 -157.2(3) . . . . ?
C38 Dy1 C29 C34 -36.6(5) . . . . ?
C38 Dy1 C35 C36 -76.0(3) . . . . ?
C38 Dy1 C35 C39 37.5(3) . . . . ?
C38 Dy1 C35 C40 161.3(5) . . . . ?
C38 Dy1 C36 C35 78.0(3) . . . . ?
C38 Dy1 C36 C37 -37.2(3) . . . . ?
C38 Dy1 C36 C41 -161.0(5) . . . . ?
C38 Dy1 C37 C36 114.2(4) . . . . ?
C38 Dy1 C37 C42 -121.7(5) . . . . ?
C38 Dy1 C39 C35 -113.3(4) . . . . ?
C38 Dy1 C39 C44 120.7(5) . . . . ?
C39 Dy1 N1 C1 106.0(3) . . . . ?
C39 Dy1 N1 C5 -84.1(3) . . . . ?
C39 Dy1 N2 C6 101.6(3) . . . . ?
C39 Dy1 N2 C9 -80.9(3) . . . . ?
C39 Dy1 N3 C10 -73.8(3) . . . . ?
C39 Dy1 N3 C14 97.9(3) . . . . ?
C39 Dy1 C25 C26 73.6(3) . . . . ?
C39 Dy1 C25 C29 -173.5(2) . . . . ?
C39 Dy1 C25 C30 -48.0(5) . . . . ?
C39 Dy1 C26 C25 -132.6(3) . . . . ?
C39 Dy1 C26 C27 114.0(3) . . . . ?
C39 Dy1 C26 C31 -10.7(4) . . . . ?
C39 Dy1 C27 C26 -90.4(3) . . . . ?
C39 Dy1 C27 C28 153.9(3) . . . . ?
C39 Dy1 C27 C32 33.5(5) . . . . ?
C39 Dy1 C28 C27 -53.5(5) . . . . ?
C39 Dy1 C28 C29 -166.8(3) . . . . ?
C39 Dy1 C28 C33 71.5(6) . . . . ?
C39 Dy1 C29 C25 27.8(10) . . . . ?
C39 Dy1 C29 C28 142.4(8) . . . . ?
C39 Dy1 C29 C34 -97.0(10) . . . . ?
C39 Dy1 C35 C36 -113.4(4) . . . . ?
C39 Dy1 C35 C40 123.8(6) . . . . ?
C39 Dy1 C36 C35 37.5(3) . . . . ?
C39 Dy1 C36 C37 -77.6(3) . . . . ?
C39 Dy1 C36 C41 158.5(5) . . . . ?
C39 Dy1 C37 C36 76.5(3) . . . . ?
C39 Dy1 C37 C38 -37.6(3) . . . . ?
C39 Dy1 C37 C42 -159.3(5) . . . . ?
C39 Dy1 C38 C37 113.2(4) . . . . ?
C39 Dy1 C38 C43 -121.8(5) . . . . ?
C39 C35 C36 Dy1 -67.4(3) . . . . ?
C39 C35 C36 C37 0.5(5) . . . . ?
C39 C35 C36 C41 166.5(4) . . . . ?
C40 C35 C36 Dy1 126.3(4) . . . . ?
C40 C35 C36 C37 -165.8(4) . . . . ?
C40 C35 C36 C41 0.2(7) . . . . ?
C40 C35 C39 Dy1 -125.4(4) . . . . ?
C40 C35 C39 C38 166.5(4) . . . . ?
C40 C35 C39 C44 -3.8(7) . . . . ?
C41 C36 C37 Dy1 126.9(5) . . . . ?
C41 C36 C37 C38 -167.1(4) . . . . ?
C41 C36 C37 C42 -1.3(7) . . . . ?
C42 C37 C38 Dy1 126.5(4) . . . . ?
C42 C37 C38 C39 -164.3(4) . . . . ?
C42 C37 C38 C43 5.0(7) . . . . ?
C43 C38 C39 Dy1 120.0(4) . . . . ?
C43 C38 C39 C35 -170.9(4) . . . . ?
C43 C38 C39 C44 -0.2(7) . . . . ?
C45 Dy2 N4 C15 73.8(3) . . . . ?
C45 Dy2 N4 C19 -119.1(3) . . . . ?
C45 Dy2 N5 C7 52.6(3) . . . . ?
C45 Dy2 N5 C8 -124.5(3) . . . . ?
C45 Dy2 N6 C20 -81.3(3) . . . . ?
C45 Dy2 N6 C24 92.4(3) . . . . ?
C45 Dy2 C46 C47 -114.5(4) . . . . ?
C45 Dy2 C46 C51 122.7(5) . . . . ?
C45 Dy2 C47 C46 36.3(3) . . . . ?
C45 Dy2 C47 C48 -77.8(3) . . . . ?
C45 Dy2 C47 C52 157.8(5) . . . . ?
C45 Dy2 C48 C47 75.8(3) . . . . ?
C45 Dy2 C48 C49 -36.7(3) . . . . ?
C45 Dy2 C48 C53 -159.0(4) . . . . ?
C45 Dy2 C49 C48 113.5(4) . . . . ?
C45 Dy2 C49 C54 -124.1(5) . . . . ?
C45 Dy2 C55 C56 -152.7(3) . . . . ?
C45 Dy2 C55 C59 -38.0(4) . . . . ?
C45 Dy2 C55 C60 82.8(4) . . . . ?
C45 Dy2 C56 C55 73.1(5) . . . . ?
C45 Dy2 C56 C57 -39.8(6) . . . . ?
C45 Dy2 C56 C61 -161.1(4) . . . . ?
C45 Dy2 C57 C56 164.3(3) . . . . ?
C45 Dy2 C57 C58 50.7(3) . . . . ?
C45 Dy2 C57 C62 -75.3(4) . . . . ?
C45 Dy2 C58 C57 -143.4(3) . . . . ?
C45 Dy2 C58 C59 102.2(3) . . . . ?
C45 Dy2 C58 C63 -19.4(4) . . . . ?
C45 Dy2 C59 C55 154.7(3) . . . . ?
C45 Dy2 C59 C58 -91.5(3) . . . . ?
C45 Dy2 C59 C64 31.1(4) . . . . ?
C45 C46 C47 Dy2 -68.2(3) . . . . ?
C45 C46 C47 C48 -2.7(5) . . . . ?
C45 C46 C47 C52 165.9(4) . . . . ?
C46 Dy2 N4 C15 102.1(3) . . . . ?
C46 Dy2 N4 C19 -90.7(3) . . . . ?
C46 Dy2 N5 C7 75.8(3) . . . . ?
C46 Dy2 N5 C8 -101.3(3) . . . . ?
C46 Dy2 N6 C20 -90.0(3) . . . . ?
C46 Dy2 N6 C24 83.8(3) . . . . ?
C46 Dy2 C45 C49 115.2(4) . . . . ?
C46 Dy2 C45 C50 -123.3(5) . . . . ?
C46 Dy2 C47 C48 -114.1(4) . . . . ?
C46 Dy2 C47 C52 121.5(5) . . . . ?
C46 Dy2 C48 C47 36.7(3) . . . . ?
C46 Dy2 C48 C49 -75.7(3) . . . . ?
C46 Dy2 C48 C53 162.0(4) . . . . ?
C46 Dy2 C49 C45 -36.0(3) . . . . ?
C46 Dy2 C49 C48 77.5(3) . . . . ?
C46 Dy2 C49 C54 -160.1(5) . . . . ?
C46 Dy2 C55 C56 155.0(3) . . . . ?
C46 Dy2 C55 C59 -90.2(3) . . . . ?
C46 Dy2 C55 C60 30.5(5) . . . . ?
C46 Dy2 C56 C55 -102.2(6) . . . . ?
C46 Dy2 C56 C57 144.9(5) . . . . ?
C46 Dy2 C56 C61 23.6(8) . . . . ?
C46 Dy2 C57 C56 -160.3(3) . . . . ?
C46 Dy2 C57 C58 86.1(4) . . . . ?
C46 Dy2 C57 C62 -39.9(6) . . . . ?
C46 Dy2 C58 C57 -143.0(3) . . . . ?
C46 Dy2 C58 C59 102.7(3) . . . . ?
C46 Dy2 C58 C63 -18.9(5) . . . . ?
C46 Dy2 C59 C55 130.8(3) . . . . ?
C46 Dy2 C59 C58 -115.5(3) . . . . ?
C46 Dy2 C59 C64 7.1(5) . . . . ?
C46 C45 C49 Dy2 66.9(3) . . . . ?
C46 C45 C49 C48 -1.5(5) . . . . ?
C46 C45 C49 C54 -171.4(4) . . . . ?
C46 C47 C48 Dy2 -67.3(3) . . . . ?
C46 C47 C48 C49 1.7(5) . . . . ?
C46 C47 C48 C53 176.7(4) . . . . ?
C47 Dy2 N4 C15 101.7(3) . . . . ?
C47 Dy2 N4 C19 -91.2(3) . . . . ?
C47 Dy2 N5 C7 103.4(3) . . . . ?
C47 Dy2 N5 C8 -73.7(3) . . . . ?
C47 Dy2 N6 C20 -65.9(3) . . . . ?
C47 Dy2 N6 C24 107.8(3) . . . . ?
C47 Dy2 C45 C46 -37.0(3) . . . . ?
C47 Dy2 C45 C49 78.3(3) . . . . ?
C47 Dy2 C45 C50 -160.3(5) . . . . ?
C47 Dy2 C46 C45 114.5(4) . . . . ?
C47 Dy2 C46 C51 -122.8(5) . . . . ?
C47 Dy2 C48 C49 -112.5(4) . . . . ?
C47 Dy2 C48 C53 125.3(5) . . . . ?
C47 Dy2 C49 C45 -75.9(3) . . . . ?
C47 Dy2 C49 C48 37.7(3) . . . . ?
C47 Dy2 C49 C54 160.1(5) . . . . ?
C47 Dy2 C55 C56 144.7(2) . . . . ?
C47 Dy2 C55 C59 -100.6(3) . . . . ?
C47 Dy2 C55 C60 20.2(4) . . . . ?
C47 Dy2 C56 C55 -54.8(4) . . . . ?
C47 Dy2 C56 C57 -167.7(3) . . . . ?
C47 Dy2 C56 C61 71.0(4) . . . . ?
C47 Dy2 C57 C56 50.2(9) . . . . ?
C47 Dy2 C57 C58 -63.4(9) . . . . ?
C47 Dy2 C57 C62 170.6(7) . . . . ?
C47 Dy2 C58 C57 164.9(3) . . . . ?
C47 Dy2 C58 C59 50.5(4) . . . . ?
C47 Dy2 C58 C63 -71.1(5) . . . . ?
C47 Dy2 C59 C55 97.8(3) . . . . ?
C47 Dy2 C59 C58 -148.5(3) . . . . ?
C47 Dy2 C59 C64 -25.9(5) . . . . ?
C47 C48 C49 Dy2 -70.6(3) . . . . ?
C47 C48 C49 C45 -0.1(5) . . . . ?
C47 C48 C49 C54 169.7(4) . . . . ?
C48 Dy2 N4 C15 68.1(3) . . . . ?
C48 Dy2 N4 C19 -124.8(3) . . . . ?
C48 Dy2 N5 C7 103.5(3) . . . . ?
C48 Dy2 N5 C8 -73.7(4) . . . . ?
C48 Dy2 N6 C20 -39.5(3) . . . . ?
C48 Dy2 N6 C24 134.2(3) . . . . ?
C48 Dy2 C45 C46 -77.3(3) . . . . ?
C48 Dy2 C45 C49 37.9(3) . . . . ?
C48 Dy2 C45 C50 159.4(5) . . . . ?
C48 Dy2 C46 C45 77.3(3) . . . . ?
C48 Dy2 C46 C47 -37.2(3) . . . . ?
C48 Dy2 C46 C51 -160.0(4) . . . . ?
C48 Dy2 C47 C46 114.1(4) . . . . ?
C48 Dy2 C47 C52 -124.4(5) . . . . ?
C48 Dy2 C49 C45 -113.5(4) . . . . ?
C48 Dy2 C49 C54 122.4(5) . . . . ?
C48 Dy2 C55 C56 170.1(3) . . . . ?
C48 Dy2 C55 C59 -75.1(3) . . . . ?
C48 Dy2 C55 C60 45.6(4) . . . . ?
C48 Dy2 C56 C55 -12.8(3) . . . . ?
C48 Dy2 C56 C57 -125.7(3) . . . . ?
C48 Dy2 C56 C61 113.0(3) . . . . ?
C48 Dy2 C57 C56 85.3(3) . . . . ?
C48 Dy2 C57 C58 -28.3(4) . . . . ?
C48 Dy2 C57 C62 -154.3(3) . . . . ?
C48 Dy2 C58 C57 161.2(3) . . . . ?
C48 Dy2 C58 C59 46.9(3) . . . . ?
C48 Dy2 C58 C63 -74.7(4) . . . . ?
C48 Dy2 C59 C55 108.1(3) . . . . ?
C48 Dy2 C59 C58 -138.1(3) . . . . ?
C48 Dy2 C59 C64 -15.5(4) . . . . ?
C49 Dy2 N4 C15 53.2(3) . . . . ?
C49 Dy2 N4 C19 -139.7(3) . . . . ?
C49 Dy2 N5 C7 61.6(4) . . . . ?
C49 Dy2 N5 C8 -115.5(3) . . . . ?
C49 Dy2 N6 C20 -46.1(4) . . . . ?
C49 Dy2 N6 C24 127.6(3) . . . . ?
C49 Dy2 C45 C46 -115.2(4) . . . . ?
C49 Dy2 C45 C50 121.5(5) . . . . ?
C49 Dy2 C46 C45 36.4(3) . . . . ?
C49 Dy2 C46 C47 -78.1(3) . . . . ?
C49 Dy2 C46 C51 159.1(4) . . . . ?
C49 Dy2 C47 C46 75.9(3) . . . . ?
C49 Dy2 C47 C48 -38.2(3) . . . . ?
C49 Dy2 C47 C52 -162.6(5) . . . . ?
C49 Dy2 C48 C47 112.5(4) . . . . ?
C49 Dy2 C48 C53 -122.3(5) . . . . ?
C49 Dy2 C55 C56 -159.3(2) . . . . ?
C49 Dy2 C55 C59 -44.6(3) . . . . ?
C49 Dy2 C55 C60 76.2(4) . . . . ?
C49 Dy2 C56 C55 30.1(4) . . . . ?
C49 Dy2 C56 C57 -82.9(3) . . . . ?
C49 Dy2 C56 C61 155.8(3) . . . . ?
C49 Dy2 C57 C56 125.0(3) . . . . ?
C49 Dy2 C57 C58 11.4(3) . . . . ?
C49 Dy2 C57 C62 -114.6(4) . . . . ?
C49 Dy2 C58 C57 -170.9(3) . . . . ?
C49 Dy2 C58 C59 74.7(3) . . . . ?
C49 Dy2 C58 C63 -46.9(4) . . . . ?
C49 Dy2 C59 C55 139.2(3) . . . . ?
C49 Dy2 C59 C58 -107.1(3) . . . . ?
C49 Dy2 C59 C64 15.5(4) . . . . ?
C49 C45 C46 Dy2 -65.3(3) . . . . ?
C49 C45 C46 C47 2.6(5) . . . . ?
C49 C45 C46 C51 176.6(4) . . . . ?
C50 C45 C46 Dy2 127.4(4) . . . . ?
C50 C45 C46 C47 -164.8(4) . . . . ?
C50 C45 C46 C51 9.2(7) . . . . ?
C50 C45 C49 Dy2 -125.8(4) . . . . ?
C50 C45 C49 C48 165.8(4) . . . . ?
C50 C45 C49 C54 -4.0(7) . . . . ?
C51 C46 C47 Dy2 117.8(4) . . . . ?
C51 C46 C47 C48 -176.6(4) . . . . ?
C51 C46 C47 C52 -8.1(7) . . . . ?
C52 C47 C48 Dy2 124.7(5) . . . . ?
C52 C47 C48 C49 -166.2(4) . . . . ?
C52 C47 C48 C53 8.7(8) . . . . ?
C53 C48 C49 Dy2 114.3(4) . . . . ?
C53 C48 C49 C45 -175.2(4) . . . . ?
C53 C48 C49 C54 -5.4(7) . . . . ?
C55 Dy2 N4 C15 -66.6(3) . . . . ?
C55 Dy2 N4 C19 100.5(3) . . . . ?
C55 Dy2 N5 C7 -127.7(3) . . . . ?
C55 Dy2 N5 C8 55.1(3) . . . . ?
C55 Dy2 N6 C20 61.6(3) . . . . ?
C55 Dy2 N6 C24 -124.6(3) . . . . ?
C55 Dy2 C45 C46 -127.5(3) . . . . ?
C55 Dy2 C45 C49 -12.3(4) . . . . ?
C55 Dy2 C45 C50 109.1(4) . . . . ?
C55 Dy2 C46 C45 96.7(3) . . . . ?
C55 Dy2 C46 C47 -17.8(4) . . . . ?
C55 Dy2 C46 C51 -140.6(4) . . . . ?
C55 Dy2 C47 C46 169.8(2) . . . . ?
C55 Dy2 C47 C48 55.6(3) . . . . ?
C55 Dy2 C47 C52 -68.8(4) . . . . ?
C55 Dy2 C48 C47 -133.6(3) . . . . ?
C55 Dy2 C48 C49 114.0(3) . . . . ?
C55 Dy2 C48 C53 -8.3(4) . . . . ?
C55 Dy2 C49 C45 171.7(3) . . . . ?
C55 Dy2 C49 C48 -74.7(3) . . . . ?
C55 Dy2 C49 C54 47.7(4) . . . . ?
C55 Dy2 C56 C57 -112.9(4) . . . . ?
C55 Dy2 C56 C61 125.8(5) . . . . ?
C55 Dy2 C57 C56 37.3(3) . . . . ?
C55 Dy2 C57 C58 -76.4(3) . . . . ?
C55 Dy2 C57 C62 157.7(4) . . . . ?
C55 Dy2 C58 C57 77.5(3) . . . . ?
C55 Dy2 C58 C59 -36.8(3) . . . . ?
C55 Dy2 C58 C63 -158.4(5) . . . . ?
C55 Dy2 C59 C58 113.7(4) . . . . ?
C55 Dy2 C59 C64 -123.7(5) . . . . ?
C55 C56 C57 Dy2 -69.8(3) . . . . ?
C55 C56 C57 C58 -0.2(5) . . . . ?
C55 C56 C57 C62 173.6(4) . . . . ?
C56 Dy2 N4 C15 -89.1(3) . . . . ?
C56 Dy2 N4 C19 78.0(3) . . . . ?
C56 Dy2 N5 C7 -114.1(3) . . . . ?
C56 Dy2 N5 C8 68.8(3) . . . . ?
C56 Dy2 N6 C20 92.8(3) . . . . ?
C56 Dy2 N6 C24 -93.5(3) . . . . ?
C56 Dy2 C45 C46 -178.0(4) . . . . ?
C56 Dy2 C45 C49 -62.8(6) . . . . ?
C56 Dy2 C45 C50 58.7(7) . . . . ?
C56 Dy2 C46 C45 177.2(5) . . . . ?
C56 Dy2 C46 C47 62.7(7) . . . . ?
C56 Dy2 C46 C51 -60.1(8) . . . . ?
C56 Dy2 C47 C46 -161.7(2) . . . . ?
C56 Dy2 C47 C48 84.2(3) . . . . ?
C56 Dy2 C47 C52 -40.2(5) . . . . ?
C56 Dy2 C48 C47 -127.0(3) . . . . ?
C56 Dy2 C48 C49 120.5(3) . . . . ?
C56 Dy2 C48 C53 -1.8(4) . . . . ?
C56 Dy2 C49 C45 156.0(3) . . . . ?
C56 Dy2 C49 C48 -90.5(3) . . . . ?
C56 Dy2 C49 C54 31.9(5) . . . . ?
C56 Dy2 C55 C59 114.7(4) . . . . ?
C56 Dy2 C55 C60 -124.5(5) . . . . ?
C56 Dy2 C57 C58 -113.7(4) . . . . ?
C56 Dy2 C57 C62 120.4(5) . . . . ?
C56 Dy2 C58 C57 37.6(3) . . . . ?
C56 Dy2 C58 C59 -76.8(3) . . . . ?
C56 Dy2 C58 C63 161.6(5) . . . . ?
C56 Dy2 C59 C55 -36.7(3) . . . . ?
C56 Dy2 C59 C58 77.0(3) . . . . ?
C56 Dy2 C59 C64 -160.4(5) . . . . ?
C56 C55 C59 Dy2 66.7(3) . . . . ?
C56 C55 C59 C58 -0.8(5) . . . . ?
C56 C55 C59 C64 -165.5(4) . . . . ?
C56 C57 C58 Dy2 -68.3(3) . . . . ?
C56 C57 C58 C59 -0.2(5) . . . . ?
C56 C57 C58 C63 164.0(4) . . . . ?
C57 Dy2 N4 C15 -74.5(3) . . . . ?
C57 Dy2 N4 C19 92.7(3) . . . . ?
C57 Dy2 N5 C7 -83.4(3) . . . . ?
C57 Dy2 N5 C8 99.5(3) . . . . ?
C57 Dy2 N6 C20 104.4(3) . . . . ?
C57 Dy2 N6 C24 -81.9(3) . . . . ?
C57 Dy2 C45 C46 154.7(3) . . . . ?
C57 Dy2 C45 C49 -90.1(3) . . . . ?
C57 Dy2 C45 C50 31.3(5) . . . . ?
C57 Dy2 C46 C45 -55.7(5) . . . . ?
C57 Dy2 C46 C47 -170.2(3) . . . . ?
C57 Dy2 C46 C51 67.0(5) . . . . ?
C57 Dy2 C47 C46 158.3(7) . . . . ?
C57 Dy2 C47 C48 44.2(9) . . . . ?
C57 Dy2 C47 C52 -80.2(9) . . . . ?
C57 Dy2 C48 C47 -169.0(3) . . . . ?
C57 Dy2 C48 C49 78.5(3) . . . . ?
C57 Dy2 C48 C53 -43.8(5) . . . . ?
C57 Dy2 C49 C45 116.3(3) . . . . ?
C57 Dy2 C49 C48 -130.1(3) . . . . ?
C57 Dy2 C49 C54 -7.7(5) . . . . ?
C57 Dy2 C55 C56 -37.8(3) . . . . ?
C57 Dy2 C55 C59 76.9(3) . . . . ?
C57 Dy2 C55 C60 -162.3(5) . . . . ?
C57 Dy2 C56 C55 112.9(4) . . . . ?
C57 Dy2 C56 C61 -121.3(5) . . . . ?
C57 Dy2 C58 C59 -114.4(4) . . . . ?
C57 Dy2 C58 C63 124.0(5) . . . . ?
C57 Dy2 C59 C55 -77.2(3) . . . . ?
C57 Dy2 C59 C58 36.6(3) . . . . ?
C57 Dy2 C59 C64 159.2(5) . . . . ?
C57 C58 C59 Dy2 -66.9(3) . . . . ?
C57 C58 C59 C55 0.6(5) . . . . ?
C57 C58 C59 C64 165.5(4) . . . . ?
C58 Dy2 N4 C15 -44.0(3) . . . . ?
C58 Dy2 N4 C19 123.1(3) . . . . ?
C58 Dy2 N5 C7 -72.5(3) . . . . ?
C58 Dy2 N5 C8 110.4(3) . . . . ?
C58 Dy2 N6 C20 79.5(4) . . . . ?
C58 Dy2 N6 C24 -106.8(3) . . . . ?
C58 Dy2 C45 C46 179.5(2) . . . . ?
C58 Dy2 C45 C49 -65.3(3) . . . . ?
C58 Dy2 C45 C50 56.1(4) . . . . ?
C58 Dy2 C46 C45 -0.8(4) . . . . ?
C58 Dy2 C46 C47 -115.3(3) . . . . ?
C58 Dy2 C46 C51 121.9(4) . . . . ?
C58 Dy2 C47 C46 107.6(3) . . . . ?
C58 Dy2 C47 C48 -6.5(4) . . . . ?
C58 Dy2 C47 C52 -130.9(4) . . . . ?
C58 Dy2 C48 C47 175.9(3) . . . . ?
C58 Dy2 C48 C49 63.4(3) . . . . ?
C58 Dy2 C48 C53 -58.8(4) . . . . ?
C58 Dy2 C49 C45 122.0(3) . . . . ?
C58 Dy2 C49 C48 -124.4(3) . . . . ?
C58 Dy2 C49 C54 -2.0(4) . . . . ?
C58 Dy2 C55 C56 -77.5(3) . . . . ?
C58 Dy2 C55 C59 37.3(2) . . . . ?
C58 Dy2 C55 C60 158.0(5) . . . . ?
C58 Dy2 C56 C55 76.2(3) . . . . ?
C58 Dy2 C56 C57 -36.7(3) . . . . ?
C58 Dy2 C56 C61 -158.0(4) . . . . ?
C58 Dy2 C57 C56 113.7(4) . . . . ?
C58 Dy2 C57 C62 -126.0(5) . . . . ?
C58 Dy2 C59 C55 -113.7(4) . . . . ?
C58 Dy2 C59 C64 122.6(5) . . . . ?
C59 C55 C56 Dy2 -68.2(3) . . . . ?
C59 C55 C56 C57 0.6(5) . . . . ?
C59 C55 C56 C61 174.2(4) . . . . ?
C60 C55 C56 Dy2 124.5(4) . . . . ?
C60 C55 C56 C57 -166.7(4) . . . . ?
C60 C55 C56 C61 6.9(7) . . . . ?
C60 C55 C59 Dy2 -125.3(4) . . . . ?
C60 C55 C59 C58 167.2(4) . . . . ?
C60 C55 C59 C64 2.4(7) . . . . ?
C61 C56 C57 Dy2 116.4(4) . . . . ?
C61 C56 C57 C58 -174.1(4) . . . . ?
C61 C56 C57 C62 -0.2(7) . . . . ?
C62 C57 C58 Dy2 118.2(5) . . . . ?
C62 C57 C58 C59 -173.8(4) . . . . ?
C62 C57 C58 C63 -9.5(8) . . . . ?
C63 C58 C59 Dy2 128.3(4) . . . . ?
C63 C58 C59 C55 -164.2(4) . . . . ?
C63 C58 C59 C64 0.7(7) . . . . ?
C65 C66 C67 C68 1.4(7) . . . . ?
C66 C65 C70 C69 -0.1(7) . . . . ?
C66 C65 B1 C71 43.9(6) . . . . ?
C66 C65 B1 C77 -79.4(5) . . . . ?
C66 C65 B1 C83 156.7(4) . . . . ?
C66 C67 C68 C69 0.5(7) . . . . ?
C67 C68 C69 C70 -2.2(7) . . . . ?
C68 C69 C70 C65 2.0(7) . . . . ?
C70 C65 C66 C67 -1.6(7) . . . . ?
C70 C65 B1 C71 -142.5(4) . . . . ?
C70 C65 B1 C77 94.3(5) . . . . ?
C70 C65 B1 C83 -29.6(6) . . . . ?
C71 C72 C73 C74 2.0(8) . . . . ?
C72 C71 C76 C75 -0.4(7) . . . . ?
C72 C71 B1 C65 35.9(6) . . . . ?
C72 C71 B1 C77 155.4(4) . . . . ?
C72 C71 B1 C83 -85.2(5) . . . . ?
C72 C73 C74 C75 -1.4(8) . . . . ?
C73 C74 C75 C76 0.0(8) . . . . ?
C74 C75 C76 C71 1.0(8) . . . . ?
C76 C71 C72 C73 -1.1(7) . . . . ?
C76 C71 B1 C65 -156.4(4) . . . . ?
C76 C71 B1 C77 -36.9(6) . . . . ?
C76 C71 B1 C83 82.6(5) . . . . ?
C77 C78 C79 C80 0.5(8) . . . . ?
C78 C77 C82 C81 0.6(7) . . . . ?
C78 C77 B1 C65 90.6(5) . . . . ?
C78 C77 B1 C71 -33.4(6) . . . . ?
C78 C77 B1 C83 -144.9(4) . . . . ?
C78 C79 C80 C81 0.6(8) . . . . ?
C79 C80 C81 C82 -1.0(8) . . . . ?
C80 C81 C82 C77 0.4(8) . . . . ?
C82 C77 C78 C79 -1.0(7) . . . . ?
C82 C77 B1 C65 -83.0(5) . . . . ?
C82 C77 B1 C71 152.9(4) . . . . ?
C82 C77 B1 C83 41.5(6) . . . . ?
C83 C84 C85 C86 1.1(8) . . . . ?
C84 C83 C88 C87 -1.6(7) . . . . ?
C84 C83 B1 C65 -35.5(6) . . . . ?
C84 C83 B1 C71 85.5(5) . . . . ?
C84 C83 B1 C77 -155.4(4) . . . . ?
C84 C85 C86 C87 -1.4(8) . . . . ?
C85 C86 C87 C88 0.2(7) . . . . ?
C86 C87 C88 C83 1.4(7) . . . . ?
C88 C83 C84 C85 0.4(7) . . . . ?
C88 C83 B1 C65 156.0(4) . . . . ?
C88 C83 B1 C71 -82.9(5) . . . . ?
C88 C83 B1 C77 36.2(6) . . . . ?
B1 C65 C66 C67 172.5(4) . . . . ?
B1 C65 C70 C69 -174.1(4) . . . . ?
B1 C71 C72 C73 167.4(4) . . . . ?
B1 C71 C76 C75 -169.0(5) . . . . ?
B1 C77 C78 C79 -175.0(5) . . . . ?
B1 C77 C82 C81 174.7(4) . . . . ?
B1 C83 C84 C85 -168.7(4) . . . . ?
B1 C83 C88 C87 167.8(4) . . . . ?

_database_code_depnum_ccdc_archive 'CCDC 1014882'
#######################################################################
#
#                 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_compound2
_audit_creation_date             2013-05-26
_audit_creation_method           
;
  Olex2 1.2
  (compiled Apr 23 2013 17:59:47, GUI svn.r4466)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C64 H76 N6 Tb2, 3(C4 H8 O), C24 H20 B'
_chemical_formula_sum            'C100 H120 B N6 O3 Tb2'
_chemical_formula_weight         1782.67
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, -z'

_cell_length_a                   16.0950(7)
_cell_length_b                   17.7564(9)
_cell_length_c                   18.5863(9)
_cell_angle_alpha                115.256(2)
_cell_angle_beta                 105.236(2)
_cell_angle_gamma                103.493(2)
_cell_volume                     4256.5(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9838
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.4112
_cell_measurement_theta_min      2.3179
_exptl_absorpt_coefficient_mu    1.703
_exptl_absorpt_correction_T_max  0.8481
_exptl_absorpt_correction_T_min  0.7269
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.391
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1842
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0312
_diffrn_reflns_av_unetI/netI     0.0226
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            110069
_diffrn_reflns_theta_full        25.46
_diffrn_reflns_theta_max         25.46
_diffrn_reflns_theta_min         1.33
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_reflns_number_gt                14408
_reflns_number_total             15633
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       'Bruker APEX2 v. 2009.1'
_computing_data_collection       'Bruker APEX2 v. 2009.1'
_computing_data_reduction        'Bruker APEX2 v. 2009.1'
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_refine_diff_density_max         2.759
_refine_diff_density_min         -1.861
_refine_diff_density_rms         0.097
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.221
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1019
_refine_ls_number_reflns         15633
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0361
_refine_ls_R_factor_gt           0.0327
_refine_ls_restrained_S_all      1.221
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0000P)²+18.7040P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0727
_refine_ls_wR_factor_ref         0.0738
_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. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C1S(H1SA,H1SB), C2S(H2SA,H2SB), C3S(H3SA,H3SB), C4S(H4SA,H4SB), C5S(H5SA,
 H5SB), C6S(H6SA,H6SB), C7S(H7SA,H7SB), C8S(H8SA,H8SB), C9S(H9SA,H9SB),
 C10S(H10A,H10B), C11S(H11A,H11B), C12S(H12A,H12B)
2.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C10(H10), C11(H11), C12(H12), C13(H13),
 C15(H15), C16(H16), C17(H17), C18(H18), C20(H20), C21(H21), C22(H22), C23(H23),
  C66(H66), C67(H67), C68(H68), C69(H69), C70(H70), C72(H72), C73(H73),
 C74(H74), C75(H75), C76(H76), C78(H78), C79(H79), C80(H80), C81(H81), C82(H82),
  C84(H84), C85(H85), C86(H86), C87(H87), C88(H88)
2.c Idealised Me refined as rotating group:
 C30(H30A,H30B,H30C), C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C33(H33A,H33B,
 H33C), C34(H34A,H34B,H34C), C40(H40A,H40B,H40C), C41(H41A,H41B,H41C), C42(H42A,
 H42B,H42C), C43(H43A,H43B,H43C), C44(H44A,H44B,H44C), C50(H50A,H50B,H50C),
 C51(H51A,H51B,H51C), C52(H52A,H52B,H52C), C53(H53A,H53B,H53C), C54(H54A,H54B,
 H54C), C60(H60A,H60B,H60C), C61(H61A,H61B,H61C), C62(H62A,H62B,H62C), C63(H63A,
 H63B,H63C), C64(H64A,H64B,H64C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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
Tb1 Tb 0.195052(12) 0.069338(11) 0.311135(11) 0.00752(5) Uani 1 1 d . . .
Tb2 Tb -0.346686(12) -0.135179(11) 0.121629(11) 0.00713(5) Uani 1 1 d . . .
O1S O -0.5387(2) -0.4940(2) -0.1611(2) 0.0348(8) Uani 1 1 d . . .
O2S O -0.1825(2) -0.4157(2) 0.0913(2) 0.0378(9) Uani 1 1 d . . .
O3S O -0.1623(3) 0.3069(3) 0.2896(3) 0.0507(11) Uani 1 1 d . . .
N1 N 0.1214(2) -0.0989(2) 0.23081(19) 0.0096(6) Uani 1 1 d . . .
N2 N 0.0219(2) 0.0054(2) 0.25453(19) 0.0087(6) Uani 1 1 d . . .
N3 N 0.1231(2) 0.1825(2) 0.34507(19) 0.0091(6) Uani 1 1 d . . .
N4 N -0.2753(2) -0.2307(2) 0.03890(19) 0.0094(6) Uani 1 1 d . . .
N5 N -0.1725(2) -0.0693(2) 0.18591(19) 0.0084(6) Uani 1 1 d . . .
N6 N -0.2704(2) 0.0139(2) 0.2605(2) 0.0104(6) Uani 1 1 d . . .
C1 C 0.1738(3) -0.1485(3) 0.2299(2) 0.0125(8) Uani 1 1 d . . .
H1 H 0.2385 -0.1189 0.2517 0.015 Uiso 1 1 calc R . .
C1S C -0.6047(3) -0.5035(3) -0.2356(3) 0.0335(11) Uani 1 1 d . . .
H1SA H -0.6210 -0.4512 -0.2199 0.040 Uiso 1 1 calc R . .
H1SB H -0.6613 -0.5576 -0.2635 0.040 Uiso 1 1 calc R . .
C2 C 0.1375(3) -0.2403(3) 0.1986(2) 0.0145(8) Uani 1 1 d . . .
H2 H 0.1761 -0.2721 0.1971 0.017 Uiso 1 1 calc R . .
C2S C -0.5542(4) -0.5108(3) -0.2950(3) 0.0354(12) Uani 1 1 d . . .
H2SA H -0.5097 -0.4518 -0.2766 0.042 Uiso 1 1 calc R . .
H2SB H -0.5979 -0.5391 -0.3552 0.042 Uiso 1 1 calc R . .
C3 C 0.0410(3) -0.2838(3) 0.1693(2) 0.0125(8) Uani 1 1 d . . .
H3 H 0.0141 -0.3451 0.1498 0.015 Uiso 1 1 calc R . .
C3S C -0.5044(4) -0.5712(4) -0.2830(3) 0.0349(12) Uani 1 1 d . . .
H3SA H -0.5407 -0.6342 -0.3290 0.042 Uiso 1 1 calc R . .
H3SB H -0.4427 -0.5523 -0.2829 0.042 Uiso 1 1 calc R . .
C4 C -0.0142(3) -0.2349(2) 0.1695(2) 0.0110(8) Uani 1 1 d . . .
H4 H -0.0786 -0.2631 0.1506 0.013 Uiso 1 1 calc R . .
C4S C -0.4972(3) -0.5575(3) -0.1947(3) 0.0298(11) Uani 1 1 d . . .
H4SA H -0.5304 -0.6147 -0.2011 0.036 Uiso 1 1 calc R . .
H4SB H -0.4321 -0.5338 -0.1552 0.036 Uiso 1 1 calc R . .
C5 C 0.0268(3) -0.1429(2) 0.1983(2) 0.0092(7) Uani 1 1 d . . .
C5S C -0.2171(3) -0.4823(3) 0.0004(3) 0.0300(11) Uani 1 1 d . . .
H5SA H -0.1885 -0.4574 -0.0288 0.036 Uiso 1 1 calc R . .
H5SB H -0.2846 -0.5031 -0.0279 0.036 Uiso 1 1 calc R . .
C6 C -0.0273(3) -0.0870(2) 0.2012(2) 0.0084(7) Uani 1 1 d . . .
C6S C -0.1901(4) -0.5593(3) -0.0019(3) 0.0308(11) Uani 1 1 d . . .
H6SA H -0.1320 -0.5542 -0.0094 0.037 Uiso 1 1 calc R . .
H6SB H -0.2389 -0.6176 -0.0491 0.037 Uiso 1 1 calc R . .
C7 C -0.0255(3) 0.0582(2) 0.2776(2) 0.0096(7) Uani 1 1 d . . .
C7S C -0.1782(3) -0.5483(3) 0.0869(3) 0.0292(11) Uani 1 1 d . . .
H7SA H -0.2215 -0.6017 0.0799 0.035 Uiso 1 1 calc R . .
H7SB H -0.1147 -0.5380 0.1198 0.035 Uiso 1 1 calc R . .
C8 C -0.1224(3) 0.0167(2) 0.2572(2) 0.0088(7) Uani 1 1 d . . .
C8S C -0.2000(3) -0.4660(3) 0.1323(3) 0.0316(11) Uani 1 1 d . . .
H8SA H -0.2649 -0.4844 0.1246 0.038 Uiso 1 1 calc R . .
H8SB H -0.1598 -0.4301 0.1942 0.038 Uiso 1 1 calc R . .
C9 C -0.1252(3) -0.1187(2) 0.1539(2) 0.0084(7) Uani 1 1 d . . .
C9S C -0.1603(4) 0.3466(4) 0.2375(3) 0.0344(12) Uani 1 1 d . . .
H9SA H -0.1846 0.2997 0.1765 0.041 Uiso 1 1 calc R . .
H9SB H -0.0965 0.3857 0.2552 0.041 Uiso 1 1 calc R . .
C10 C 0.1758(3) 0.2707(2) 0.3809(2) 0.0113(8) Uani 1 1 d . . .
H10 H 0.2406 0.2888 0.4007 0.014 Uiso 1 1 calc R . .
C10S C -0.2205(3) 0.4010(3) 0.2503(3) 0.0313(11) Uani 1 1 d . . .
H10A H -0.2778 0.3722 0.1980 0.038 Uiso 1 1 calc R . .
H10B H -0.1869 0.4620 0.2648 0.038 Uiso 1 1 calc R . .
C11 C 0.1399(3) 0.3357(3) 0.3900(2) 0.0132(8) Uani 1 1 d . . .
H11 H 0.1793 0.3963 0.4167 0.016 Uiso 1 1 calc R . .
C11S C -0.2419(4) 0.4023(4) 0.3254(4) 0.0372(12) Uani 1 1 d . . .
H11A H -0.2009 0.4589 0.3798 0.045 Uiso 1 1 calc R . .
H11B H -0.3066 0.3941 0.3148 0.045 Uiso 1 1 calc R . .
C12 C 0.0434(3) 0.3085(3) 0.3582(2) 0.0141(8) Uani 1 1 d . . .
H12 H 0.0166 0.3504 0.3618 0.017 Uiso 1 1 calc R . .
C12S C -0.2240(5) 0.3244(5) 0.3273(5) 0.0588(19) Uani 1 1 d . . .
H12A H -0.1976 0.3388 0.3871 0.071 Uiso 1 1 calc R . .
H12B H -0.2824 0.2713 0.2954 0.071 Uiso 1 1 calc R . .
C13 C -0.0128(3) 0.2179(3) 0.3209(2) 0.0112(8) Uani 1 1 d . . .
H13 H -0.0777 0.1984 0.2986 0.013 Uiso 1 1 calc R . .
C14 C 0.0287(3) 0.1561(2) 0.3170(2) 0.0086(7) Uiso 1 1 d . . .
C15 C -0.3295(3) -0.3037(3) -0.0413(2) 0.0127(8) Uani 1 1 d . . .
H15 H -0.3940 -0.3249 -0.0577 0.015 Uiso 1 1 calc R . .
C16 C -0.2980(3) -0.3488(3) -0.1001(3) 0.0156(8) Uiso 1 1 d . . .
H16 H -0.3389 -0.3990 -0.1549 0.019 Uiso 1 1 calc R . .
C17 C -0.1971(3) -0.3151(3) -0.0736(2) 0.0122(8) Uani 1 1 d . . .
H17 H -0.1712 -0.3422 -0.1117 0.015 Uiso 1 1 calc R . .
C18 C -0.1411(3) -0.2419(2) 0.0096(2) 0.0110(8) Uani 1 1 d . . .
H18 H -0.0763 -0.2196 0.0284 0.013 Uiso 1 1 calc R . .
C19 C -0.1809(3) -0.2010(2) 0.0658(2) 0.0088(7) Uani 1 1 d . . .
C20 C -0.3215(3) 0.0512(3) 0.3004(2) 0.0120(8) Uani 1 1 d . . .
H20 H -0.3865 0.0221 0.2713 0.014 Uiso 1 1 calc R . .
C21 C -0.2844(3) 0.1289(3) 0.3806(3) 0.0155(8) Uani 1 1 d . . .
H21 H -0.3229 0.1534 0.4038 0.019 Uiso 1 1 calc R . .
C22 C -0.1867(3) 0.1704(3) 0.4266(2) 0.0140(8) Uani 1 1 d . . .
H22 H -0.1591 0.2223 0.4820 0.017 Uiso 1 1 calc R . .
C23 C -0.1322(3) 0.1336(2) 0.3890(2) 0.0108(8) Uani 1 1 d . . .
H23 H -0.0675 0.1590 0.4198 0.013 Uiso 1 1 calc R . .
C24 C -0.1747(3) 0.0574(2) 0.3037(2) 0.0088(7) Uani 1 1 d . . .
C25 C 0.2314(3) 0.0212(3) 0.4332(2) 0.0164(8) Uani 1 1 d . . .
C26 C 0.3193(3) 0.0681(3) 0.4383(2) 0.0160(8) Uani 1 1 d . . .
C27 C 0.3328(3) 0.1608(3) 0.4727(2) 0.0154(8) Uani 1 1 d . . .
C28 C 0.2540(3) 0.1704(3) 0.4886(2) 0.0153(8) Uani 1 1 d . . .
C29 C 0.1895(3) 0.0837(3) 0.4618(2) 0.0155(8) Uani 1 1 d . . .
C30 C 0.1950(3) -0.0732(3) 0.4180(3) 0.0210(9) Uani 1 1 d . . .
H30A H 0.1292 -0.1033 0.3809 0.031 Uiso 1 1 calc R . .
H30B H 0.2051 -0.0694 0.4728 0.031 Uiso 1 1 calc R . .
H30C H 0.2277 -0.1068 0.3904 0.031 Uiso 1 1 calc R . .
C31 C 0.3940(3) 0.0321(3) 0.4257(3) 0.0230(9) Uani 1 1 d . . .
H31A H 0.3648 -0.0303 0.3793 0.035 Uiso 1 1 calc R . .
H31B H 0.4304 0.0370 0.4787 0.035 Uiso 1 1 calc R . .
H31C H 0.4342 0.0669 0.4111 0.035 Uiso 1 1 calc R . .
C32 C 0.4221(3) 0.2366(3) 0.4982(3) 0.0253(10) Uani 1 1 d . . .
H32A H 0.4447 0.2171 0.4533 0.038 Uiso 1 1 calc R . .
H32B H 0.4687 0.2516 0.5521 0.038 Uiso 1 1 calc R . .
H32C H 0.4094 0.2889 0.5052 0.038 Uiso 1 1 calc R . .
C33 C 0.2457(3) 0.2582(3) 0.5422(3) 0.0253(10) Uani 1 1 d . . .
H33A H 0.2839 0.3054 0.5383 0.038 Uiso 1 1 calc R . .
H33B H 0.2664 0.2741 0.6020 0.038 Uiso 1 1 calc R . .
H33C H 0.1815 0.2508 0.5203 0.038 Uiso 1 1 calc R . .
C34 C 0.0996(3) 0.0633(3) 0.4728(3) 0.0238(10) Uani 1 1 d . . .
H34A H 0.0748 0.1074 0.4729 0.036 Uiso 1 1 calc R . .
H34B H 0.1112 0.0654 0.5272 0.036 Uiso 1 1 calc R . .
H34C H 0.0553 0.0039 0.4255 0.036 Uiso 1 1 calc R . .
C35 C 0.1840(3) 0.1165(3) 0.1890(2) 0.0128(8) Uani 1 1 d . . .
C36 C 0.2797(3) 0.1643(3) 0.2485(3) 0.0158(8) Uani 1 1 d . . .
C37 C 0.3211(3) 0.1002(3) 0.2409(3) 0.0157(8) Uani 1 1 d . . .
C38 C 0.2507(3) 0.0128(3) 0.1759(2) 0.0135(8) Uani 1 1 d . . .
C39 C 0.1664(3) 0.0233(3) 0.1452(2) 0.0132(8) Uani 1 1 d . . .
C40 C 0.1162(3) 0.1561(3) 0.1642(3) 0.0220(9) Uani 1 1 d . . .
H40A H 0.0560 0.1236 0.1588 0.033 Uiso 1 1 calc R . .
H40B H 0.1107 0.1512 0.1095 0.033 Uiso 1 1 calc R . .
H40C H 0.1389 0.2188 0.2085 0.033 Uiso 1 1 calc R . .
C41 C 0.3346(3) 0.2653(3) 0.2961(3) 0.0247(10) Uani 1 1 d . . .
H41A H 0.2921 0.2948 0.2923 0.037 Uiso 1 1 calc R . .
H41B H 0.3760 0.2780 0.2701 0.037 Uiso 1 1 calc R . .
H41C H 0.3707 0.2873 0.3563 0.037 Uiso 1 1 calc R . .
C42 C 0.4246(3) 0.1235(3) 0.2779(3) 0.0265(10) Uani 1 1 d . . .
H42A H 0.4552 0.1813 0.3314 0.040 Uiso 1 1 calc R . .
H42B H 0.4492 0.1261 0.2368 0.040 Uiso 1 1 calc R . .
H42C H 0.4357 0.0779 0.2891 0.040 Uiso 1 1 calc R . .
C43 C 0.2687(3) -0.0718(3) 0.1332(3) 0.0239(10) Uani 1 1 d . . .
H43A H 0.2136 -0.1241 0.1118 0.036 Uiso 1 1 calc R . .
H43B H 0.3202 -0.0699 0.1752 0.036 Uiso 1 1 calc R . .
H43C H 0.2837 -0.0753 0.0855 0.036 Uiso 1 1 calc R . .
C44 C 0.0770(3) -0.0506(3) 0.0682(3) 0.0206(9) Uani 1 1 d . . .
H44A H 0.0727 -0.1080 0.0622 0.031 Uiso 1 1 calc R . .
H44B H 0.0772 -0.0520 0.0161 0.031 Uiso 1 1 calc R . .
H44C H 0.0242 -0.0390 0.0774 0.031 Uiso 1 1 calc R . .
C45 C -0.3973(3) -0.2939(3) 0.1215(3) 0.0154(8) Uani 1 1 d . . .
C46 C -0.3317(3) -0.2266(3) 0.2077(3) 0.0146(8) Uani 1 1 d . . .
C47 C -0.3735(3) -0.1679(3) 0.2465(2) 0.0148(8) Uani 1 1 d . . .
C48 C -0.4632(3) -0.1954(3) 0.1818(3) 0.0141(8) Uani 1 1 d . . .
C49 C -0.4776(3) -0.2743(3) 0.1041(3) 0.0156(8) Uani 1 1 d . . .
C50 C -0.3891(3) -0.3811(3) 0.0653(3) 0.0226(9) Uani 1 1 d . . .
H50A H -0.4300 -0.4071 0.0054 0.034 Uiso 1 1 calc R . .
H50B H -0.4066 -0.4230 0.0838 0.034 Uiso 1 1 calc R . .
H50C H -0.3256 -0.3684 0.0712 0.034 Uiso 1 1 calc R . .
C51 C -0.2384(3) -0.2251(3) 0.2537(3) 0.0232(10) Uani 1 1 d . . .
H51A H -0.2127 -0.2499 0.2123 0.035 Uiso 1 1 calc R . .
H51B H -0.2468 -0.2607 0.2802 0.035 Uiso 1 1 calc R . .
H51C H -0.1961 -0.1637 0.2980 0.035 Uiso 1 1 calc R . .
C52 C -0.3346(3) -0.1000(3) 0.3431(3) 0.0215(9) Uani 1 1 d . . .
H52A H -0.2701 -0.0625 0.3633 0.032 Uiso 1 1 calc R . .
H52B H -0.3391 -0.1315 0.3739 0.032 Uiso 1 1 calc R . .
H52C H -0.3700 -0.0628 0.3535 0.032 Uiso 1 1 calc R . .
C53 C -0.5355(3) -0.1556(3) 0.1931(3) 0.0228(9) Uani 1 1 d . . .
H53A H -0.5126 -0.1077 0.2527 0.034 Uiso 1 1 calc R . .
H53B H -0.5927 -0.2020 0.1784 0.034 Uiso 1 1 calc R . .
H53C H -0.5472 -0.1319 0.1555 0.034 Uiso 1 1 calc R . .
C54 C -0.5678(3) -0.3358(3) 0.0238(3) 0.0257(10) Uani 1 1 d . . .
H54A H -0.6124 -0.3083 0.0271 0.039 Uiso 1 1 calc R . .
H54B H -0.5922 -0.3928 0.0200 0.039 Uiso 1 1 calc R . .
H54C H -0.5563 -0.3458 -0.0270 0.039 Uiso 1 1 calc R . .
C55 C -0.4243(3) -0.0311(3) 0.0766(2) 0.0132(8) Uani 1 1 d . . .
C56 C -0.3359(3) -0.0130(3) 0.0706(2) 0.0117(8) Uani 1 1 d . . .
C57 C -0.3428(3) -0.0922(3) -0.0012(2) 0.0134(8) Uani 1 1 d . . .
C58 C -0.4348(3) -0.1591(3) -0.0389(2) 0.0144(8) Uani 1 1 d . . .
C59 C -0.4846(3) -0.1219(3) 0.0092(2) 0.0133(8) Uani 1 1 d . . .
C60 C -0.4575(3) 0.0360(3) 0.1300(3) 0.0191(9) Uani 1 1 d . . .
H60A H -0.4944 0.0095 0.1526 0.029 Uiso 1 1 calc R . .
H60B H -0.4949 0.0519 0.0939 0.029 Uiso 1 1 calc R . .
H60C H -0.4043 0.0894 0.1775 0.029 Uiso 1 1 calc R . .
C61 C -0.2525(3) 0.0761(3) 0.1228(3) 0.0188(9) Uani 1 1 d . . .
H61A H -0.2578 0.1155 0.1747 0.028 Uiso 1 1 calc R . .
H61B H -0.2503 0.1037 0.0884 0.028 Uiso 1 1 calc R . .
H61C H -0.1961 0.0661 0.1387 0.028 Uiso 1 1 calc R . .
C62 C -0.2680(3) -0.0972(3) -0.0346(3) 0.0191(9) Uani 1 1 d . . .
H62A H -0.2081 -0.0690 0.0136 0.029 Uiso 1 1 calc R . .
H62B H -0.2676 -0.0662 -0.0662 0.029 Uiso 1 1 calc R . .
H62C H -0.2802 -0.1595 -0.0728 0.029 Uiso 1 1 calc R . .
C63 C -0.4809(3) -0.2450(3) -0.1277(3) 0.0216(9) Uani 1 1 d . . .
H63A H -0.4335 -0.2600 -0.1460 0.032 Uiso 1 1 calc R . .
H63B H -0.5208 -0.2360 -0.1691 0.032 Uiso 1 1 calc R . .
H63C H -0.5176 -0.2936 -0.1245 0.032 Uiso 1 1 calc R . .
C64 C -0.5893(3) -0.1628(3) -0.0200(3) 0.0220(9) Uani 1 1 d . . .
H64A H -0.6042 -0.1392 0.0298 0.033 Uiso 1 1 calc R . .
H64B H -0.6107 -0.2275 -0.0476 0.033 Uiso 1 1 calc R . .
H64C H -0.6196 -0.1477 -0.0607 0.033 Uiso 1 1 calc R . .
C65 C 0.1015(3) 0.6012(3) 0.3574(2) 0.0147(8) Uani 1 1 d . . .
C66 C 0.0686(3) 0.5700(3) 0.4067(3) 0.0230(10) Uani 1 1 d . . .
H66 H 0.0925 0.5327 0.4205 0.028 Uiso 1 1 calc R . .
C67 C 0.0016(3) 0.5928(3) 0.4357(3) 0.0324(12) Uani 1 1 d . . .
H67 H -0.0170 0.5720 0.4695 0.039 Uiso 1 1 calc R . .
C68 C -0.0373(3) 0.6463(3) 0.4145(3) 0.0340(12) Uani 1 1 d . . .
H68 H -0.0826 0.6611 0.4331 0.041 Uiso 1 1 calc R . .
C69 C -0.0078(3) 0.6771(3) 0.3653(3) 0.0291(11) Uani 1 1 d . . .
H69 H -0.0333 0.7130 0.3504 0.035 Uiso 1 1 calc R . .
C70 C 0.0603(3) 0.6548(3) 0.3376(3) 0.0201(9) Uani 1 1 d . . .
H70 H 0.0790 0.6766 0.3045 0.024 Uiso 1 1 calc R . .
C71 C 0.2500(3) 0.5513(3) 0.3828(3) 0.0136(8) Uani 1 1 d . . .
C72 C 0.2861(3) 0.6057(3) 0.4743(3) 0.0206(9) Uani 1 1 d . . .
H72 H 0.2592 0.6456 0.4985 0.025 Uiso 1 1 calc R . .
C73 C 0.3599(3) 0.6026(3) 0.5300(3) 0.0284(10) Uani 1 1 d . . .
H73 H 0.3809 0.6393 0.5901 0.034 Uiso 1 1 calc R . .
C74 C 0.4024(3) 0.5450(3) 0.4961(3) 0.0278(10) Uani 1 1 d . . .
H74 H 0.4521 0.5427 0.5331 0.033 Uiso 1 1 calc R . .
C75 C 0.3700(3) 0.4908(3) 0.4065(3) 0.0226(9) Uani 1 1 d . . .
H75 H 0.3985 0.4524 0.3829 0.027 Uiso 1 1 calc R . .
C76 C 0.2946(3) 0.4937(3) 0.3515(3) 0.0166(8) Uani 1 1 d . . .
H76 H 0.2730 0.4557 0.2914 0.020 Uiso 1 1 calc R . .
C77 C 0.2495(3) 0.6502(3) 0.3182(2) 0.0133(8) Uani 1 1 d . . .
C78 C 0.2843(3) 0.7407(3) 0.3862(3) 0.0158(8) Uani 1 1 d . . .
H78 H 0.2557 0.7554 0.4248 0.019 Uiso 1 1 calc R . .
C79 C 0.3597(3) 0.8094(3) 0.3986(3) 0.0202(9) Uani 1 1 d . . .
H79 H 0.3818 0.8681 0.4458 0.024 Uiso 1 1 calc R . .
C80 C 0.4014(3) 0.7903(3) 0.3408(3) 0.0235(10) Uani 1 1 d . . .
H80 H 0.4515 0.8361 0.3485 0.028 Uiso 1 1 calc R . .
C81 C 0.3685(3) 0.7024(3) 0.2709(3) 0.0227(9) Uani 1 1 d . . .
H81 H 0.3959 0.6891 0.2312 0.027 Uiso 1 1 calc R . .
C82 C 0.2940(3) 0.6339(3) 0.2607(3) 0.0166(8) Uani 1 1 d . . .
H82 H 0.2730 0.5752 0.2139 0.020 Uiso 1 1 calc R . .
C83 C 0.1102(3) 0.4791(3) 0.2211(2) 0.0131(8) Uani 1 1 d . . .
C84 C 0.0686(3) 0.3938(3) 0.2098(3) 0.0163(8) Uani 1 1 d . . .
H84 H 0.0848 0.3874 0.2581 0.020 Uiso 1 1 calc R . .
C85 C 0.0037(3) 0.3181(3) 0.1290(3) 0.0209(9) Uani 1 1 d . . .
H85 H -0.0235 0.2631 0.1245 0.025 Uiso 1 1 calc R . .
C86 C -0.0199(3) 0.3252(3) 0.0557(3) 0.0223(10) Uani 1 1 d . . .
H86 H -0.0629 0.2751 0.0016 0.027 Uiso 1 1 calc R . .
C87 C 0.0209(3) 0.4078(3) 0.0636(3) 0.0200(9) Uani 1 1 d . . .
H87 H 0.0065 0.4131 0.0145 0.024 Uiso 1 1 calc R . .
C88 C 0.0835(3) 0.4827(3) 0.1450(3) 0.0163(8) Uani 1 1 d . . .
H88 H 0.1089 0.5379 0.1492 0.020 Uiso 1 1 calc R . .
B1 B 0.1761(3) 0.5693(3) 0.3186(3) 0.0126(9) 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
Tb1 N1 2.484(3) . ?
Tb1 N2 2.475(3) . ?
Tb1 N3 2.483(3) . ?
Tb1 C25 2.723(4) . ?
Tb1 C26 2.678(4) . ?
Tb1 C27 2.689(4) . ?
Tb1 C28 2.741(4) . ?
Tb1 C29 2.730(4) . ?
Tb1 C35 2.715(4) . ?
Tb1 C36 2.738(4) . ?
Tb1 C38 2.753(4) . ?
Tb1 C39 2.706(4) . ?
Tb2 N4 2.485(3) . ?
Tb2 N5 2.484(3) . ?
Tb2 N6 2.483(3) . ?
Tb2 C45 2.744(4) . ?
Tb2 C46 2.730(4) . ?
Tb2 C47 2.733(4) . ?
Tb2 C48 2.665(4) . ?
Tb2 C49 2.679(4) . ?
Tb2 C55 2.743(4) . ?
Tb2 C56 2.702(4) . ?
Tb2 C57 2.708(4) . ?
Tb2 C58 2.741(4) . ?
O1S C1S 1.421(6) . ?
O1S C4S 1.442(6) . ?
O2S C5S 1.434(6) . ?
O2S C8S 1.426(6) . ?
O3S C9S 1.421(6) . ?
O3S C12S 1.378(7) . ?
N1 C1 1.353(5) . ?
N1 C5 1.360(5) . ?
N2 C6 1.376(5) . ?
N2 C7 1.345(5) . ?
N3 C10 1.345(5) . ?
N3 C14 1.357(5) . ?
N4 C15 1.343(5) . ?
N4 C19 1.355(5) . ?
N5 C8 1.369(5) . ?
N5 C9 1.346(5) . ?
N6 C20 1.350(5) . ?
N6 C24 1.370(5) . ?
C1 H1 0.9300 . ?
C1 C2 1.381(5) . ?
C1S H1SA 0.9700 . ?
C1S H1SB 0.9700 . ?
C1S C2S 1.515(7) . ?
C2 H2 0.9300 . ?
C2 C3 1.393(6) . ?
C2S H2SA 0.9700 . ?
C2S H2SB 0.9700 . ?
C2S C3S 1.534(7) . ?
C3 H3 0.9300 . ?
C3 C4 1.379(5) . ?
C3S H3SA 0.9700 . ?
C3S H3SB 0.9700 . ?
C3S C4S 1.522(7) . ?
C4 H4 0.9300 . ?
C4 C5 1.399(5) . ?
C4S H4SA 0.9700 . ?
C4S H4SB 0.9700 . ?
C5 C6 1.458(5) . ?
C5S H5SA 0.9700 . ?
C5S H5SB 0.9700 . ?
C5S C6S 1.516(6) . ?
C6 C9 1.417(5) . ?
C6S H6SA 0.9700 . ?
C6S H6SB 0.9700 . ?
C6S C7S 1.531(6) . ?
C7 C8 1.426(5) . ?
C7 C14 1.479(5) . ?
C7S H7SA 0.9700 . ?
C7S H7SB 0.9700 . ?
C7S C8S 1.521(7) . ?
C8 C24 1.452(5) . ?
C8S H8SA 0.9700 . ?
C8S H8SB 0.9700 . ?
C9 C19 1.482(5) . ?
C9S H9SA 0.9700 . ?
C9S H9SB 0.9700 . ?
C9S C10S 1.514(7) . ?
C10 H10 0.9300 . ?
C10 C11 1.376(5) . ?
C10S H10A 0.9700 . ?
C10S H10B 0.9700 . ?
C10S C11S 1.513(7) . ?
C11 H11 0.9300 . ?
C11 C12 1.384(6) . ?
C11S H11A 0.9700 . ?
C11S H11B 0.9700 . ?
C11S C12S 1.490(7) . ?
C12 H12 0.9300 . ?
C12 C13 1.389(5) . ?
C12S H12A 0.9700 . ?
C12S H12B 0.9700 . ?
C13 H13 0.9300 . ?
C13 C14 1.398(5) . ?
C15 H15 0.9300 . ?
C15 C16 1.352(5) . ?
C16 H16 0.9300 . ?
C16 C17 1.453(5) . ?
C17 H17 0.9300 . ?
C17 C18 1.378(5) . ?
C18 H18 0.9300 . ?
C18 C19 1.397(5) . ?
C20 H20 0.9300 . ?
C20 C21 1.370(5) . ?
C21 H21 0.9300 . ?
C21 C22 1.400(6) . ?
C22 H22 0.9300 . ?
C22 C23 1.372(5) . ?
C23 H23 0.9300 . ?
C23 C24 1.408(5) . ?
C25 C26 1.421(6) . ?
C25 C29 1.415(6) . ?
C25 C30 1.510(5) . ?
C26 C27 1.424(6) . ?
C26 C31 1.511(6) . ?
C27 C28 1.407(6) . ?
C27 C32 1.516(6) . ?
C28 C29 1.424(6) . ?
C28 C33 1.510(6) . ?
C29 C34 1.497(6) . ?
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 C36 1.418(6) . ?
C35 C39 1.411(5) . ?
C35 C40 1.505(6) . ?
C36 C37 1.423(6) . ?
C36 C41 1.508(5) . ?
C37 C38 1.419(6) . ?
C37 C42 1.502(6) . ?
C38 C39 1.416(6) . ?
C38 C43 1.509(5) . ?
C39 C44 1.508(5) . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 C46 1.414(6) . ?
C45 C49 1.408(6) . ?
C45 C50 1.513(6) . ?
C46 C47 1.414(6) . ?
C46 C51 1.509(6) . ?
C47 C48 1.423(6) . ?
C47 C52 1.510(5) . ?
C48 C49 1.431(6) . ?
C48 C53 1.512(6) . ?
C49 C54 1.502(6) . ?
C50 H50A 0.9600 . ?
C50 H50B 0.9600 . ?
C50 H50C 0.9600 . ?
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 H53A 0.9600 . ?
C53 H53B 0.9600 . ?
C53 H53C 0.9600 . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 0.9600 . ?
C55 C56 1.428(5) . ?
C55 C59 1.421(6) . ?
C55 C60 1.501(5) . ?
C56 C57 1.420(5) . ?
C56 C61 1.504(5) . ?
C57 C58 1.421(6) . ?
C57 C62 1.497(5) . ?
C58 C59 1.412(5) . ?
C58 C63 1.510(5) . ?
C59 C64 1.509(6) . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?
C61 H61A 0.9600 . ?
C61 H61B 0.9600 . ?
C61 H61C 0.9600 . ?
C62 H62A 0.9600 . ?
C62 H62B 0.9600 . ?
C62 H62C 0.9600 . ?
C63 H63A 0.9600 . ?
C63 H63B 0.9600 . ?
C63 H63C 0.9600 . ?
C64 H64A 0.9600 . ?
C64 H64B 0.9600 . ?
C64 H64C 0.9600 . ?
C65 C66 1.406(6) . ?
C65 C70 1.396(6) . ?
C65 B1 1.645(6) . ?
C66 H66 0.9300 . ?
C66 C67 1.393(6) . ?
C67 H67 0.9300 . ?
C67 C68 1.386(7) . ?
C68 H68 0.9300 . ?
C68 C69 1.377(7) . ?
C69 H69 0.9300 . ?
C69 C70 1.395(6) . ?
C70 H70 0.9300 . ?
C71 C72 1.407(6) . ?
C71 C76 1.398(6) . ?
C71 B1 1.642(6) . ?
C72 H72 0.9300 . ?
C72 C73 1.385(6) . ?
C73 H73 0.9300 . ?
C73 C74 1.384(7) . ?
C74 H74 0.9300 . ?
C74 C75 1.384(6) . ?
C75 H75 0.9300 . ?
C75 C76 1.394(6) . ?
C76 H76 0.9300 . ?
C77 C78 1.403(5) . ?
C77 C82 1.404(5) . ?
C77 B1 1.639(6) . ?
C78 H78 0.9300 . ?
C78 C79 1.391(6) . ?
C79 H79 0.9300 . ?
C79 C80 1.377(6) . ?
C80 H80 0.9300 . ?
C80 C81 1.388(6) . ?
C81 H81 0.9300 . ?
C81 C82 1.398(6) . ?
C82 H82 0.9300 . ?
C83 C84 1.402(6) . ?
C83 C88 1.401(5) . ?
C83 B1 1.641(6) . ?
C84 H84 0.9300 . ?
C84 C85 1.396(6) . ?
C85 H85 0.9300 . ?
C85 C86 1.384(6) . ?
C86 H86 0.9300 . ?
C86 C87 1.387(6) . ?
C87 H87 0.9300 . ?
C87 C88 1.389(6) . ?
C88 H88 0.9300 . ?

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
N1 Tb1 C25 73.43(11) . . ?
N1 Tb1 C26 89.37(11) . . ?
N1 Tb1 C27 119.62(11) . . ?
N1 Tb1 C28 121.00(11) . . ?
N1 Tb1 C29 92.18(11) . . ?
N1 Tb1 C35 106.64(11) . . ?
N1 Tb1 C36 123.34(11) . . ?
N1 Tb1 C38 75.08(11) . . ?
N1 Tb1 C39 77.53(11) . . ?
N2 Tb1 N1 65.74(10) . . ?
N2 Tb1 N3 64.64(10) . . ?
N2 Tb1 C25 97.74(11) . . ?
N2 Tb1 C26 128.23(11) . . ?
N2 Tb1 C27 133.04(11) . . ?
N2 Tb1 C28 104.10(11) . . ?
N2 Tb1 C29 84.46(11) . . ?
N2 Tb1 C35 90.04(11) . . ?
N2 Tb1 C36 119.27(11) . . ?
N2 Tb1 C38 110.52(11) . . ?
N2 Tb1 C39 85.23(11) . . ?
N3 Tb1 N1 130.37(10) . . ?
N3 Tb1 C25 112.53(11) . . ?
N3 Tb1 C26 121.23(11) . . ?
N3 Tb1 C27 94.09(11) . . ?
N3 Tb1 C28 71.45(11) . . ?
N3 Tb1 C29 82.46(11) . . ?
N3 Tb1 C35 74.29(10) . . ?
N3 Tb1 C36 82.76(11) . . ?
N3 Tb1 C38 123.98(10) . . ?
N3 Tb1 C39 99.04(11) . . ?
C25 Tb1 C28 49.55(12) . . ?
C25 Tb1 C29 30.08(12) . . ?
C25 Tb1 C36 142.80(12) . . ?
C25 Tb1 C38 123.15(12) . . ?
C26 Tb1 C25 30.49(12) . . ?
C26 Tb1 C27 30.77(12) . . ?
C26 Tb1 C28 49.98(12) . . ?
C26 Tb1 C29 50.29(12) . . ?
C26 Tb1 C35 141.59(12) . . ?
C26 Tb1 C36 112.38(12) . . ?
C26 Tb1 C38 104.95(12) . . ?
C26 Tb1 C39 134.90(12) . . ?
C27 Tb1 C25 50.23(12) . . ?
C27 Tb1 C28 30.02(12) . . ?
C27 Tb1 C29 50.16(12) . . ?
C27 Tb1 C35 125.68(12) . . ?
C27 Tb1 C36 96.86(12) . . ?
C27 Tb1 C38 115.87(12) . . ?
C27 Tb1 C39 141.21(12) . . ?
C28 Tb1 C38 145.39(12) . . ?
C29 Tb1 C28 30.17(12) . . ?
C29 Tb1 C36 142.38(12) . . ?
C29 Tb1 C38 153.00(12) . . ?
C35 Tb1 C25 171.32(12) . . ?
C35 Tb1 C28 132.08(11) . . ?
C35 Tb1 C29 156.20(12) . . ?
C35 Tb1 C36 30.15(12) . . ?
C35 Tb1 C38 49.70(11) . . ?
C36 Tb1 C28 112.22(12) . . ?
C36 Tb1 C38 49.40(11) . . ?
C39 Tb1 C25 146.40(12) . . ?
C39 Tb1 C28 161.30(12) . . ?
C39 Tb1 C29 167.75(12) . . ?
C39 Tb1 C35 30.17(11) . . ?
C39 Tb1 C36 49.57(12) . . ?
C39 Tb1 C38 30.04(12) . . ?
N4 Tb2 C45 72.03(11) . . ?
N4 Tb2 C46 83.15(11) . . ?
N4 Tb2 C47 113.15(11) . . ?
N4 Tb2 C48 121.94(11) . . ?
N4 Tb2 C49 94.40(11) . . ?
N4 Tb2 C55 125.09(10) . . ?
N4 Tb2 C56 102.39(11) . . ?
N4 Tb2 C57 75.62(11) . . ?
N4 Tb2 C58 80.53(11) . . ?
N5 Tb2 N4 65.10(10) . . ?
N5 Tb2 C45 105.52(11) . . ?
N5 Tb2 C46 86.13(11) . . ?
N5 Tb2 C47 98.95(11) . . ?
N5 Tb2 C48 129.48(11) . . ?
N5 Tb2 C49 134.61(11) . . ?
N5 Tb2 C55 113.53(11) . . ?
N5 Tb2 C56 86.25(11) . . ?
N5 Tb2 C57 87.98(11) . . ?
N5 Tb2 C58 116.37(11) . . ?
N6 Tb2 N4 129.80(10) . . ?
N6 Tb2 N5 64.72(10) . . ?
N6 Tb2 C45 120.88(11) . . ?
N6 Tb2 C46 92.13(11) . . ?
N6 Tb2 C47 73.57(11) . . ?
N6 Tb2 C48 89.63(11) . . ?
N6 Tb2 C49 120.11(11) . . ?
N6 Tb2 C55 77.57(11) . . ?
N6 Tb2 C56 75.79(11) . . ?
N6 Tb2 C57 103.97(11) . . ?
N6 Tb2 C58 124.04(11) . . ?
C46 Tb2 C45 29.95(12) . . ?
C46 Tb2 C47 30.00(12) . . ?
C46 Tb2 C55 149.96(11) . . ?
C46 Tb2 C58 142.48(12) . . ?
C47 Tb2 C45 49.46(12) . . ?
C47 Tb2 C55 120.73(12) . . ?
C47 Tb2 C58 144.45(12) . . ?
C48 Tb2 C45 50.15(12) . . ?
C48 Tb2 C46 50.28(12) . . ?
C48 Tb2 C47 30.54(12) . . ?
C48 Tb2 C49 31.07(12) . . ?
C48 Tb2 C55 100.92(12) . . ?
C48 Tb2 C56 130.78(12) . . ?
C48 Tb2 C57 142.00(12) . . ?
C48 Tb2 C58 114.06(12) . . ?
C49 Tb2 C45 30.07(12) . . ?
C49 Tb2 C46 50.09(12) . . ?
C49 Tb2 C47 50.38(12) . . ?
C49 Tb2 C55 111.31(12) . . ?
C49 Tb2 C56 138.96(12) . . ?
C49 Tb2 C57 127.55(12) . . ?
C49 Tb2 C58 97.79(12) . . ?
C55 Tb2 C45 140.95(12) . . ?
C56 Tb2 C45 162.40(11) . . ?
C56 Tb2 C46 167.63(11) . . ?
C56 Tb2 C47 142.92(12) . . ?
C56 Tb2 C55 30.41(11) . . ?
C56 Tb2 C57 30.44(11) . . ?
C56 Tb2 C58 49.89(11) . . ?
C57 Tb2 C45 134.84(12) . . ?
C57 Tb2 C46 158.51(12) . . ?
C57 Tb2 C47 170.51(12) . . ?
C57 Tb2 C55 50.01(11) . . ?
C57 Tb2 C58 30.22(12) . . ?
C58 Tb2 C45 112.53(12) . . ?
C58 Tb2 C55 49.50(11) . . ?
C1S O1S C4S 105.5(3) . . ?
C8S O2S C5S 105.3(3) . . ?
C12S O3S C9S 110.1(4) . . ?
C1 N1 Tb1 121.2(2) . . ?
C1 N1 C5 117.5(3) . . ?
C5 N1 Tb1 120.4(2) . . ?
C6 N2 Tb1 119.4(2) . . ?
C7 N2 Tb1 121.7(2) . . ?
C7 N2 C6 118.8(3) . . ?
C10 N3 Tb1 120.2(2) . . ?
C10 N3 C14 118.1(3) . . ?
C14 N3 Tb1 121.1(2) . . ?
C15 N4 Tb2 119.8(2) . . ?
C15 N4 C19 118.4(3) . . ?
C19 N4 Tb2 120.6(2) . . ?
C8 N5 Tb2 120.9(2) . . ?
C9 N5 Tb2 120.7(2) . . ?
C9 N5 C8 118.4(3) . . ?
C20 N6 Tb2 121.0(2) . . ?
C20 N6 C24 117.3(3) . . ?
C24 N6 Tb2 121.4(2) . . ?
N1 C1 H1 117.9 . . ?
N1 C1 C2 124.2(4) . . ?
C2 C1 H1 117.9 . . ?
O1S C1S H1SA 110.9 . . ?
O1S C1S H1SB 110.9 . . ?
O1S C1S C2S 104.0(4) . . ?
H1SA C1S H1SB 109.0 . . ?
C2S C1S H1SA 110.9 . . ?
C2S C1S H1SB 110.9 . . ?
C1 C2 H2 121.1 . . ?
C1 C2 C3 117.8(3) . . ?
C3 C2 H2 121.1 . . ?
C1S C2S H2SA 111.5 . . ?
C1S C2S H2SB 111.5 . . ?
C1S C2S C3S 101.5(4) . . ?
H2SA C2S H2SB 109.3 . . ?
C3S C2S H2SA 111.5 . . ?
C3S C2S H2SB 111.5 . . ?
C2 C3 H3 120.4 . . ?
C4 C3 C2 119.3(3) . . ?
C4 C3 H3 120.4 . . ?
C2S C3S H3SA 111.0 . . ?
C2S C3S H3SB 111.0 . . ?
H3SA C3S H3SB 109.0 . . ?
C4S C3S C2S 103.8(4) . . ?
C4S C3S H3SA 111.0 . . ?
C4S C3S H3SB 111.0 . . ?
C3 C4 H4 120.1 . . ?
C3 C4 C5 119.9(3) . . ?
C5 C4 H4 120.1 . . ?
O1S C4S C3S 107.1(4) . . ?
O1S C4S H4SA 110.3 . . ?
O1S C4S H4SB 110.3 . . ?
C3S C4S H4SA 110.3 . . ?
C3S C4S H4SB 110.3 . . ?
H4SA C4S H4SB 108.6 . . ?
N1 C5 C4 121.2(3) . . ?
N1 C5 C6 115.9(3) . . ?
C4 C5 C6 122.7(3) . . ?
O2S C5S H5SA 110.7 . . ?
O2S C5S H5SB 110.7 . . ?
O2S C5S C6S 105.2(4) . . ?
H5SA C5S H5SB 108.8 . . ?
C6S C5S H5SA 110.7 . . ?
C6S C5S H5SB 110.7 . . ?
N2 C6 C5 116.6(3) . . ?
N2 C6 C9 117.1(3) . . ?
C9 C6 C5 126.2(3) . . ?
C5S C6S H6SA 110.9 . . ?
C5S C6S H6SB 110.9 . . ?
C5S C6S C7S 104.1(4) . . ?
H6SA C6S H6SB 108.9 . . ?
C7S C6S H6SA 110.9 . . ?
C7S C6S H6SB 110.9 . . ?
N2 C7 C8 119.1(3) . . ?
N2 C7 C14 114.8(3) . . ?
C8 C7 C14 125.9(3) . . ?
C6S C7S H7SA 110.9 . . ?
C6S C7S H7SB 110.9 . . ?
H7SA C7S H7SB 108.9 . . ?
C8S C7S C6S 104.2(4) . . ?
C8S C7S H7SA 110.9 . . ?
C8S C7S H7SB 110.9 . . ?
N5 C8 C7 117.6(3) . . ?
N5 C8 C24 116.0(3) . . ?
C7 C8 C24 126.4(3) . . ?
O2S C8S C7S 105.0(4) . . ?
O2S C8S H8SA 110.7 . . ?
O2S C8S H8SB 110.7 . . ?
C7S C8S H8SA 110.7 . . ?
C7S C8S H8SB 110.7 . . ?
H8SA C8S H8SB 108.8 . . ?
N5 C9 C6 119.9(3) . . ?
N5 C9 C19 115.3(3) . . ?
C6 C9 C19 124.6(3) . . ?
O3S C9S H9SA 110.2 . . ?
O3S C9S H9SB 110.2 . . ?
O3S C9S C10S 107.5(4) . . ?
H9SA C9S H9SB 108.5 . . ?
C10S C9S H9SA 110.2 . . ?
C10S C9S H9SB 110.2 . . ?
N3 C10 H10 118.0 . . ?
N3 C10 C11 124.0(4) . . ?
C11 C10 H10 118.0 . . ?
C9S C10S H10A 110.9 . . ?
C9S C10S H10B 110.9 . . ?
C9S C10S C11S 104.5(4) . . ?
H10A C10S H10B 108.9 . . ?
C11S C10S H10A 110.9 . . ?
C11S C10S H10B 110.9 . . ?
C10 C11 H11 120.9 . . ?
C10 C11 C12 118.1(4) . . ?
C12 C11 H11 120.9 . . ?
C10S C11S H11A 111.1 . . ?
C10S C11S H11B 111.1 . . ?
H11A C11S H11B 109.0 . . ?
C12S C11S C10S 103.5(4) . . ?
C12S C11S H11A 111.1 . . ?
C12S C11S H11B 111.1 . . ?
C11 C12 H12 120.4 . . ?
C11 C12 C13 119.1(4) . . ?
C13 C12 H12 120.4 . . ?
O3S C12S C11S 109.0(5) . . ?
O3S C12S H12A 109.9 . . ?
O3S C12S H12B 109.9 . . ?
C11S C12S H12A 109.9 . . ?
C11S C12S H12B 109.9 . . ?
H12A C12S H12B 108.3 . . ?
C12 C13 H13 120.2 . . ?
C12 C13 C14 119.7(4) . . ?
C14 C13 H13 120.2 . . ?
N3 C14 C7 115.5(3) . . ?
N3 C14 C13 120.9(3) . . ?
C13 C14 C7 123.5(3) . . ?
N4 C15 H15 117.3 . . ?
N4 C15 C16 125.3(4) . . ?
C16 C15 H15 117.3 . . ?
C15 C16 H16 121.6 . . ?
C15 C16 C17 116.8(4) . . ?
C17 C16 H16 121.6 . . ?
C16 C17 H17 121.0 . . ?
C18 C17 C16 118.0(3) . . ?
C18 C17 H17 121.0 . . ?
C17 C18 H18 119.7 . . ?
C17 C18 C19 120.5(3) . . ?
C19 C18 H18 119.7 . . ?
N4 C19 C9 115.7(3) . . ?
N4 C19 C18 120.8(3) . . ?
C18 C19 C9 123.2(3) . . ?
N6 C20 H20 117.7 . . ?
N6 C20 C21 124.6(4) . . ?
C21 C20 H20 117.7 . . ?
C20 C21 H21 121.0 . . ?
C20 C21 C22 117.9(4) . . ?
C22 C21 H21 121.0 . . ?
C21 C22 H22 120.4 . . ?
C23 C22 C21 119.3(4) . . ?
C23 C22 H22 120.4 . . ?
C22 C23 H23 120.1 . . ?
C22 C23 C24 119.8(3) . . ?
C24 C23 H23 120.1 . . ?
N6 C24 C8 115.5(3) . . ?
N6 C24 C23 120.8(3) . . ?
C23 C24 C8 123.6(3) . . ?
C26 C25 Tb1 73.0(2) . . ?
C26 C25 C30 127.1(4) . . ?
C29 C25 Tb1 75.2(2) . . ?
C29 C25 C26 108.3(3) . . ?
C29 C25 C30 123.6(4) . . ?
C30 C25 Tb1 126.9(3) . . ?
C25 C26 Tb1 76.5(2) . . ?
C25 C26 C27 107.7(4) . . ?
C25 C26 C31 126.9(4) . . ?
C27 C26 Tb1 75.1(2) . . ?
C27 C26 C31 124.5(4) . . ?
C31 C26 Tb1 122.7(3) . . ?
C26 C27 Tb1 74.2(2) . . ?
C26 C27 C32 125.1(4) . . ?
C28 C27 Tb1 77.0(2) . . ?
C28 C27 C26 107.9(3) . . ?
C28 C27 C32 126.5(4) . . ?
C32 C27 Tb1 120.8(3) . . ?
C27 C28 Tb1 73.0(2) . . ?
C27 C28 C29 108.5(3) . . ?
C27 C28 C33 126.7(4) . . ?
C29 C28 Tb1 74.5(2) . . ?
C29 C28 C33 123.6(4) . . ?
C33 C28 Tb1 128.5(3) . . ?
C25 C29 Tb1 74.7(2) . . ?
C25 C29 C28 107.5(4) . . ?
C25 C29 C34 125.3(4) . . ?
C28 C29 Tb1 75.4(2) . . ?
C28 C29 C34 126.7(4) . . ?
C34 C29 Tb1 122.1(3) . . ?
C25 C30 H30A 109.5 . . ?
C25 C30 H30B 109.5 . . ?
C25 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C26 C31 H31A 109.5 . . ?
C26 C31 H31B 109.5 . . ?
C26 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C27 C32 H32A 109.5 . . ?
C27 C32 H32B 109.5 . . ?
C27 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C28 C33 H33A 109.5 . . ?
C28 C33 H33B 109.5 . . ?
C28 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C29 C34 H34A 109.5 . . ?
C29 C34 H34B 109.5 . . ?
C29 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C36 C35 Tb1 75.8(2) . . ?
C36 C35 C40 127.2(4) . . ?
C39 C35 Tb1 74.6(2) . . ?
C39 C35 C36 107.5(3) . . ?
C39 C35 C40 124.5(4) . . ?
C40 C35 Tb1 123.3(3) . . ?
C35 C36 Tb1 74.0(2) . . ?
C35 C36 C37 108.3(3) . . ?
C35 C36 C41 126.2(4) . . ?
C37 C36 Tb1 75.8(2) . . ?
C37 C36 C41 124.2(4) . . ?
C41 C36 Tb1 127.0(3) . . ?
C36 C37 Tb1 74.2(2) . . ?
C36 C37 C42 124.8(4) . . ?
C38 C37 Tb1 74.9(2) . . ?
C38 C37 C36 107.7(3) . . ?
C38 C37 C42 125.8(4) . . ?
C42 C37 Tb1 128.5(3) . . ?
C37 C38 Tb1 75.3(2) . . ?
C37 C38 C43 124.9(4) . . ?
C39 C38 Tb1 73.1(2) . . ?
C39 C38 C37 107.7(3) . . ?
C39 C38 C43 125.9(4) . . ?
C43 C38 Tb1 128.2(3) . . ?
C35 C39 Tb1 75.3(2) . . ?
C35 C39 C38 108.8(3) . . ?
C35 C39 C44 125.1(4) . . ?
C38 C39 Tb1 76.8(2) . . ?
C38 C39 C44 125.4(4) . . ?
C44 C39 Tb1 122.1(2) . . ?
C35 C40 H40A 109.5 . . ?
C35 C40 H40B 109.5 . . ?
C35 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C36 C41 H41A 109.5 . . ?
C36 C41 H41B 109.5 . . ?
C36 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C37 C42 H42A 109.5 . . ?
C37 C42 H42B 109.5 . . ?
C37 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C38 C43 H43A 109.5 . . ?
C38 C43 H43B 109.5 . . ?
C38 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C39 C44 H44A 109.5 . . ?
C39 C44 H44B 109.5 . . ?
C39 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C46 C45 Tb2 74.5(2) . . ?
C46 C45 C50 124.6(4) . . ?
C49 C45 Tb2 72.4(2) . . ?
C49 C45 C46 108.5(3) . . ?
C49 C45 C50 125.9(4) . . ?
C50 C45 Tb2 128.2(3) . . ?
C45 C46 Tb2 75.6(2) . . ?
C45 C46 C51 125.5(4) . . ?
C47 C46 Tb2 75.1(2) . . ?
C47 C46 C45 108.2(3) . . ?
C47 C46 C51 125.9(4) . . ?
C51 C46 Tb2 121.4(3) . . ?
C46 C47 Tb2 74.9(2) . . ?
C46 C47 C48 107.8(3) . . ?
C46 C47 C52 124.1(4) . . ?
C48 C47 Tb2 72.1(2) . . ?
C48 C47 C52 127.3(4) . . ?
C52 C47 Tb2 126.9(3) . . ?
C47 C48 Tb2 77.4(2) . . ?
C47 C48 C49 107.6(3) . . ?
C47 C48 C53 127.4(4) . . ?
C49 C48 Tb2 75.0(2) . . ?
C49 C48 C53 124.8(4) . . ?
C53 C48 Tb2 117.9(2) . . ?
C45 C49 Tb2 77.5(2) . . ?
C45 C49 C48 107.7(3) . . ?
C45 C49 C54 124.8(4) . . ?
C48 C49 Tb2 73.9(2) . . ?
C48 C49 C54 126.6(4) . . ?
C54 C49 Tb2 123.0(3) . . ?
C45 C50 H50A 109.5 . . ?
C45 C50 H50B 109.5 . . ?
C45 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C46 C51 H51A 109.5 . . ?
C46 C51 H51B 109.5 . . ?
C46 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C47 C52 H52A 109.5 . . ?
C47 C52 H52B 109.5 . . ?
C47 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C48 C53 H53A 109.5 . . ?
C48 C53 H53B 109.5 . . ?
C48 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C49 C54 H54A 109.5 . . ?
C49 C54 H54B 109.5 . . ?
C49 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C56 C55 Tb2 73.2(2) . . ?
C56 C55 C60 127.7(4) . . ?
C59 C55 Tb2 75.4(2) . . ?
C59 C55 C56 107.6(3) . . ?
C59 C55 C60 123.6(4) . . ?
C60 C55 Tb2 126.8(2) . . ?
C55 C56 Tb2 76.4(2) . . ?
C55 C56 C61 127.3(3) . . ?
C57 C56 Tb2 75.0(2) . . ?
C57 C56 C55 108.0(3) . . ?
C57 C56 C61 124.4(4) . . ?
C61 C56 Tb2 120.1(2) . . ?
C56 C57 Tb2 74.5(2) . . ?
C56 C57 C58 107.8(3) . . ?
C56 C57 C62 124.1(4) . . ?
C58 C57 Tb2 76.2(2) . . ?
C58 C57 C62 127.7(4) . . ?
C62 C57 Tb2 120.6(3) . . ?
C57 C58 Tb2 73.6(2) . . ?
C57 C58 C63 126.1(4) . . ?
C59 C58 Tb2 75.6(2) . . ?
C59 C58 C57 108.4(3) . . ?
C59 C58 C63 123.8(4) . . ?
C63 C58 Tb2 129.0(3) . . ?
C55 C59 Tb2 74.6(2) . . ?
C55 C59 C64 125.1(4) . . ?
C58 C59 Tb2 74.6(2) . . ?
C58 C59 C55 108.2(3) . . ?
C58 C59 C64 125.0(4) . . ?
C64 C59 Tb2 128.5(3) . . ?
C55 C60 H60A 109.5 . . ?
C55 C60 H60B 109.5 . . ?
C55 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C56 C61 H61A 109.5 . . ?
C56 C61 H61B 109.5 . . ?
C56 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C57 C62 H62A 109.5 . . ?
C57 C62 H62B 109.5 . . ?
C57 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C58 C63 H63A 109.5 . . ?
C58 C63 H63B 109.5 . . ?
C58 C63 H63C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C59 C64 H64A 109.5 . . ?
C59 C64 H64B 109.5 . . ?
C59 C64 H64C 109.5 . . ?
H64A C64 H64B 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C66 C65 B1 122.3(4) . . ?
C70 C65 C66 115.0(4) . . ?
C70 C65 B1 122.4(4) . . ?
C65 C66 H66 118.7 . . ?
C67 C66 C65 122.7(4) . . ?
C67 C66 H66 118.7 . . ?
C66 C67 H67 119.9 . . ?
C68 C67 C66 120.2(5) . . ?
C68 C67 H67 119.9 . . ?
C67 C68 H68 120.6 . . ?
C69 C68 C67 118.8(4) . . ?
C69 C68 H68 120.6 . . ?
C68 C69 H69 119.8 . . ?
C68 C69 C70 120.4(4) . . ?
C70 C69 H69 119.8 . . ?
C65 C70 H70 118.6 . . ?
C69 C70 C65 122.9(4) . . ?
C69 C70 H70 118.6 . . ?
C72 C71 B1 121.7(3) . . ?
C76 C71 C72 115.1(4) . . ?
C76 C71 B1 122.1(3) . . ?
C71 C72 H72 118.5 . . ?
C73 C72 C71 123.0(4) . . ?
C73 C72 H72 118.5 . . ?
C72 C73 H73 120.0 . . ?
C74 C73 C72 120.0(4) . . ?
C74 C73 H73 120.0 . . ?
C73 C74 H74 120.4 . . ?
C75 C74 C73 119.1(4) . . ?
C75 C74 H74 120.4 . . ?
C74 C75 H75 120.0 . . ?
C74 C75 C76 120.1(4) . . ?
C76 C75 H75 120.0 . . ?
C71 C76 H76 118.6 . . ?
C75 C76 C71 122.7(4) . . ?
C75 C76 H76 118.6 . . ?
C78 C77 C82 115.2(4) . . ?
C78 C77 B1 120.6(3) . . ?
C82 C77 B1 123.4(3) . . ?
C77 C78 H78 118.5 . . ?
C79 C78 C77 123.0(4) . . ?
C79 C78 H78 118.5 . . ?
C78 C79 H79 120.1 . . ?
C80 C79 C78 119.8(4) . . ?
C80 C79 H79 120.1 . . ?
C79 C80 H80 120.1 . . ?
C79 C80 C81 119.7(4) . . ?
C81 C80 H80 120.1 . . ?
C80 C81 H81 120.2 . . ?
C80 C81 C82 119.5(4) . . ?
C82 C81 H81 120.2 . . ?
C77 C82 H82 118.7 . . ?
C81 C82 C77 122.7(4) . . ?
C81 C82 H82 118.7 . . ?
C84 C83 B1 121.5(3) . . ?
C88 C83 C84 115.1(4) . . ?
C88 C83 B1 123.1(3) . . ?
C83 C84 H84 118.6 . . ?
C85 C84 C83 122.7(4) . . ?
C85 C84 H84 118.6 . . ?
C84 C85 H85 120.1 . . ?
C86 C85 C84 119.8(4) . . ?
C86 C85 H85 120.1 . . ?
C85 C86 H86 120.3 . . ?
C85 C86 C87 119.4(4) . . ?
C87 C86 H86 120.3 . . ?
C86 C87 H87 120.2 . . ?
C86 C87 C88 119.7(4) . . ?
C88 C87 H87 120.2 . . ?
C83 C88 H88 118.4 . . ?
C87 C88 C83 123.2(4) . . ?
C87 C88 H88 118.4 . . ?
C71 B1 C65 112.5(3) . . ?
C77 B1 C65 112.5(3) . . ?
C77 B1 C71 100.1(3) . . ?
C77 B1 C83 113.7(3) . . ?
C83 B1 C65 104.8(3) . . ?
C83 B1 C71 113.6(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Tb1 N1 C1 C2 169.4(3) . . . . ?
Tb1 N1 C5 C4 -166.3(3) . . . . ?
Tb1 N1 C5 C6 9.6(4) . . . . ?
Tb1 N2 C6 C5 14.4(4) . . . . ?
Tb1 N2 C6 C9 -165.2(2) . . . . ?
Tb1 N2 C7 C8 -167.8(2) . . . . ?
Tb1 N2 C7 C14 16.7(4) . . . . ?
Tb1 N3 C10 C11 170.0(3) . . . . ?
Tb1 N3 C14 C7 8.8(4) . . . . ?
Tb1 N3 C14 C13 -167.3(3) . . . . ?
Tb1 C25 C26 C27 69.2(3) . . . . ?
Tb1 C25 C26 C31 -121.0(4) . . . . ?
Tb1 C25 C29 C28 -68.8(3) . . . . ?
Tb1 C25 C29 C34 118.7(4) . . . . ?
Tb1 C26 C27 C28 70.3(3) . . . . ?
Tb1 C26 C27 C32 -116.9(4) . . . . ?
Tb1 C27 C28 C29 66.6(3) . . . . ?
Tb1 C27 C28 C33 -125.7(4) . . . . ?
Tb1 C28 C29 C25 68.4(3) . . . . ?
Tb1 C28 C29 C34 -119.3(4) . . . . ?
Tb1 C35 C36 C37 68.7(3) . . . . ?
Tb1 C35 C36 C41 -124.5(4) . . . . ?
Tb1 C35 C39 C38 -70.2(3) . . . . ?
Tb1 C35 C39 C44 119.1(4) . . . . ?
Tb1 C36 C37 C38 68.0(3) . . . . ?
Tb1 C36 C37 C42 -126.2(4) . . . . ?
Tb1 C37 C38 C39 66.5(3) . . . . ?
Tb1 C37 C38 C43 -126.6(4) . . . . ?
Tb1 C38 C39 C35 69.2(3) . . . . ?
Tb1 C38 C39 C44 -120.2(4) . . . . ?
Tb2 N4 C15 C16 164.4(3) . . . . ?
Tb2 N4 C19 C9 11.0(4) . . . . ?
Tb2 N4 C19 C18 -163.4(3) . . . . ?
Tb2 N5 C8 C7 -165.1(2) . . . . ?
Tb2 N5 C8 C24 13.6(4) . . . . ?
Tb2 N5 C9 C6 -167.8(2) . . . . ?
Tb2 N5 C9 C19 17.1(4) . . . . ?
Tb2 N6 C20 C21 174.0(3) . . . . ?
Tb2 N6 C24 C8 7.8(4) . . . . ?
Tb2 N6 C24 C23 -169.2(3) . . . . ?
Tb2 C45 C46 C47 68.7(3) . . . . ?
Tb2 C45 C46 C51 -118.4(4) . . . . ?
Tb2 C45 C49 C48 -68.4(3) . . . . ?
Tb2 C45 C49 C54 121.8(4) . . . . ?
Tb2 C46 C47 C48 65.1(3) . . . . ?
Tb2 C46 C47 C52 -124.6(4) . . . . ?
Tb2 C47 C48 C49 69.6(3) . . . . ?
Tb2 C47 C48 C53 -115.6(4) . . . . ?
Tb2 C48 C49 C45 70.8(3) . . . . ?
Tb2 C48 C49 C54 -119.5(4) . . . . ?
Tb2 C55 C56 C57 69.0(3) . . . . ?
Tb2 C55 C56 C61 -117.6(4) . . . . ?
Tb2 C55 C59 C58 -67.7(3) . . . . ?
Tb2 C55 C59 C64 126.5(4) . . . . ?
Tb2 C56 C57 C58 69.5(3) . . . . ?
Tb2 C56 C57 C62 -116.8(4) . . . . ?
Tb2 C57 C58 C59 68.2(3) . . . . ?
Tb2 C57 C58 C63 -126.7(4) . . . . ?
Tb2 C58 C59 C55 67.7(3) . . . . ?
Tb2 C58 C59 C64 -126.5(4) . . . . ?
O1S C1S C2S C3S 40.3(5) . . . . ?
O2S C5S C6S C7S 23.2(5) . . . . ?
O3S C9S C10S C11S 9.8(6) . . . . ?
N1 Tb1 N2 C6 -6.8(2) . . . . ?
N1 Tb1 N2 C7 170.1(3) . . . . ?
N1 Tb1 N3 C10 -172.1(2) . . . . ?
N1 Tb1 N3 C14 -1.6(3) . . . . ?
N1 Tb1 C25 C26 118.9(2) . . . . ?
N1 Tb1 C25 C29 -126.3(2) . . . . ?
N1 Tb1 C25 C30 -5.2(3) . . . . ?
N1 Tb1 C26 C25 -57.1(2) . . . . ?
N1 Tb1 C26 C27 -169.9(2) . . . . ?
N1 Tb1 C26 C31 68.4(3) . . . . ?
N1 Tb1 C27 C26 11.6(3) . . . . ?
N1 Tb1 C27 C28 -101.6(2) . . . . ?
N1 Tb1 C27 C32 133.4(3) . . . . ?
N1 Tb1 C28 C27 96.5(2) . . . . ?
N1 Tb1 C28 C29 -19.0(3) . . . . ?
N1 Tb1 C28 C33 -139.8(3) . . . . ?
N1 Tb1 C29 C25 50.6(2) . . . . ?
N1 Tb1 C29 C28 163.8(2) . . . . ?
N1 Tb1 C29 C34 -71.8(3) . . . . ?
N1 Tb1 C35 C36 -128.9(2) . . . . ?
N1 Tb1 C35 C39 -15.8(2) . . . . ?
N1 Tb1 C35 C40 105.7(3) . . . . ?
N1 Tb1 C36 C35 63.2(3) . . . . ?
N1 Tb1 C36 C37 -50.9(3) . . . . ?
N1 Tb1 C36 C41 -173.2(3) . . . . ?
N1 Tb1 C37 C36 138.4(2) . . . . ?
N1 Tb1 C37 C38 24.7(2) . . . . ?
N1 Tb1 C37 C42 -99.3(4) . . . . ?
N1 Tb1 C38 C37 -155.0(2) . . . . ?
N1 Tb1 C38 C39 90.8(2) . . . . ?
N1 Tb1 C38 C43 -31.9(3) . . . . ?
N1 Tb1 C39 C35 164.5(2) . . . . ?
N1 Tb1 C39 C38 -81.7(2) . . . . ?
N1 Tb1 C39 C44 42.1(3) . . . . ?
N1 C1 C2 C3 -2.6(6) . . . . ?
N1 C5 C6 N2 -15.6(5) . . . . ?
N1 C5 C6 C9 164.0(3) . . . . ?
N2 Tb1 N1 C1 -171.3(3) . . . . ?
N2 Tb1 N1 C5 -1.8(2) . . . . ?
N2 Tb1 N3 C10 -171.1(3) . . . . ?
N2 Tb1 N3 C14 -0.6(2) . . . . ?
N2 Tb1 C25 C26 -179.4(2) . . . . ?
N2 Tb1 C25 C29 -64.6(2) . . . . ?
N2 Tb1 C25 C30 56.6(4) . . . . ?
N2 Tb1 C26 C25 0.8(3) . . . . ?
N2 Tb1 C26 C27 -112.0(2) . . . . ?
N2 Tb1 C26 C31 126.3(3) . . . . ?
N2 Tb1 C27 C26 95.0(3) . . . . ?
N2 Tb1 C27 C28 -18.2(3) . . . . ?
N2 Tb1 C27 C32 -143.3(3) . . . . ?
N2 Tb1 C28 C27 166.4(2) . . . . ?
N2 Tb1 C28 C29 50.9(2) . . . . ?
N2 Tb1 C28 C33 -69.9(4) . . . . ?
N2 Tb1 C29 C25 115.9(2) . . . . ?
N2 Tb1 C29 C28 -130.8(2) . . . . ?
N2 Tb1 C29 C34 -6.4(3) . . . . ?
N2 Tb1 C35 C36 166.5(2) . . . . ?
N2 Tb1 C35 C39 -80.4(2) . . . . ?
N2 Tb1 C35 C40 41.0(3) . . . . ?
N2 Tb1 C36 C35 -15.5(3) . . . . ?
N2 Tb1 C36 C37 -129.6(2) . . . . ?
N2 Tb1 C36 C41 108.1(4) . . . . ?
N2 Tb1 C37 C36 70.5(3) . . . . ?
N2 Tb1 C37 C38 -43.2(3) . . . . ?
N2 Tb1 C37 C42 -167.2(3) . . . . ?
N2 Tb1 C38 C37 148.6(2) . . . . ?
N2 Tb1 C38 C39 34.5(2) . . . . ?
N2 Tb1 C38 C43 -88.3(4) . . . . ?
N2 Tb1 C39 C35 98.3(2) . . . . ?
N2 Tb1 C39 C38 -147.9(2) . . . . ?
N2 Tb1 C39 C44 -24.1(3) . . . . ?
N2 C6 C9 N5 -27.8(5) . . . . ?
N2 C6 C9 C19 146.9(3) . . . . ?
N2 C7 C8 N5 -27.9(5) . . . . ?
N2 C7 C8 C24 153.5(3) . . . . ?
N2 C7 C14 N3 -16.2(5) . . . . ?
N2 C7 C14 C13 159.8(3) . . . . ?
N3 Tb1 N1 C1 -170.3(2) . . . . ?
N3 Tb1 N1 C5 -0.8(3) . . . . ?
N3 Tb1 N2 C6 174.0(3) . . . . ?
N3 Tb1 N2 C7 -9.0(2) . . . . ?
N3 Tb1 C25 C26 -113.7(2) . . . . ?
N3 Tb1 C25 C29 1.1(3) . . . . ?
N3 Tb1 C25 C30 122.3(3) . . . . ?
N3 Tb1 C26 C25 81.6(2) . . . . ?
N3 Tb1 C26 C27 -31.2(3) . . . . ?
N3 Tb1 C26 C31 -152.9(3) . . . . ?
N3 Tb1 C27 C26 153.6(2) . . . . ?
N3 Tb1 C27 C28 40.4(2) . . . . ?
N3 Tb1 C27 C32 -84.6(3) . . . . ?
N3 Tb1 C28 C27 -137.0(2) . . . . ?
N3 Tb1 C28 C29 107.6(2) . . . . ?
N3 Tb1 C28 C33 -13.3(4) . . . . ?
N3 Tb1 C29 C25 -179.0(2) . . . . ?
N3 Tb1 C29 C28 -65.7(2) . . . . ?
N3 Tb1 C29 C34 58.7(3) . . . . ?
N3 Tb1 C35 C36 102.9(2) . . . . ?
N3 Tb1 C35 C39 -144.0(2) . . . . ?
N3 Tb1 C35 C40 -22.5(3) . . . . ?
N3 Tb1 C36 C35 -71.0(2) . . . . ?
N3 Tb1 C36 C37 174.8(2) . . . . ?
N3 Tb1 C36 C41 52.5(4) . . . . ?
N3 Tb1 C37 C36 -5.6(3) . . . . ?
N3 Tb1 C37 C38 -119.3(2) . . . . ?
N3 Tb1 C37 C42 116.7(4) . . . . ?
N3 Tb1 C38 C37 76.0(3) . . . . ?
N3 Tb1 C38 C39 -38.1(3) . . . . ?
N3 Tb1 C38 C43 -160.8(3) . . . . ?
N3 Tb1 C39 C35 35.0(2) . . . . ?
N3 Tb1 C39 C38 148.8(2) . . . . ?
N3 Tb1 C39 C44 -87.4(3) . . . . ?
N3 C10 C11 C12 -1.9(6) . . . . ?
N4 Tb2 N5 C8 174.6(3) . . . . ?
N4 Tb2 N5 C9 -8.5(2) . . . . ?
N4 Tb2 N6 C20 -173.0(2) . . . . ?
N4 Tb2 N6 C24 1.0(3) . . . . ?
N4 Tb2 C45 C46 108.2(2) . . . . ?
N4 Tb2 C45 C49 -136.2(2) . . . . ?
N4 Tb2 C45 C50 -13.9(3) . . . . ?
N4 Tb2 C46 C45 -65.5(2) . . . . ?
N4 Tb2 C46 C47 -179.2(2) . . . . ?
N4 Tb2 C46 C51 57.5(3) . . . . ?
N4 Tb2 C47 C46 0.8(3) . . . . ?
N4 Tb2 C47 C48 -114.0(2) . . . . ?
N4 Tb2 C47 C52 122.3(3) . . . . ?
N4 Tb2 C48 C47 81.7(2) . . . . ?
N4 Tb2 C48 C49 -30.7(3) . . . . ?
N4 Tb2 C48 C53 -152.5(3) . . . . ?
N4 Tb2 C49 C45 41.4(2) . . . . ?
N4 Tb2 C49 C48 154.2(2) . . . . ?
N4 Tb2 C49 C54 -82.2(3) . . . . ?
N4 Tb2 C55 C56 -47.2(3) . . . . ?
N4 Tb2 C55 C59 66.7(2) . . . . ?
N4 Tb2 C55 C60 -172.0(3) . . . . ?
N4 Tb2 C56 C55 142.1(2) . . . . ?
N4 Tb2 C56 C57 28.9(2) . . . . ?
N4 Tb2 C56 C61 -92.5(3) . . . . ?
N4 Tb2 C57 C56 -150.8(2) . . . . ?
N4 Tb2 C57 C58 95.9(2) . . . . ?
N4 Tb2 C57 C62 -30.0(3) . . . . ?
N4 Tb2 C58 C57 -77.6(2) . . . . ?
N4 Tb2 C58 C59 167.9(2) . . . . ?
N4 Tb2 C58 C63 45.8(3) . . . . ?
N4 Tb2 C59 C55 -127.1(2) . . . . ?
N4 Tb2 C59 C58 -12.7(2) . . . . ?
N4 Tb2 C59 C64 110.1(3) . . . . ?
N4 C15 C16 C17 0.1(6) . . . . ?
N5 Tb2 N4 C15 -169.2(3) . . . . ?
N5 Tb2 N4 C19 -2.0(2) . . . . ?
N5 Tb2 N6 C20 -174.9(3) . . . . ?
N5 Tb2 N6 C24 -0.9(2) . . . . ?
N5 Tb2 C45 C46 51.5(2) . . . . ?
N5 Tb2 C45 C49 167.2(2) . . . . ?
N5 Tb2 C45 C50 -70.6(4) . . . . ?
N5 Tb2 C46 C45 -130.9(2) . . . . ?
N5 Tb2 C46 C47 115.4(2) . . . . ?
N5 Tb2 C46 C51 -7.8(3) . . . . ?
N5 Tb2 C47 C46 -65.8(2) . . . . ?
N5 Tb2 C47 C48 179.3(2) . . . . ?
N5 Tb2 C47 C52 55.7(4) . . . . ?
N5 Tb2 C48 C47 -0.9(3) . . . . ?
N5 Tb2 C48 C49 -113.3(2) . . . . ?
N5 Tb2 C48 C53 124.9(3) . . . . ?
N5 Tb2 C49 C45 -17.5(3) . . . . ?
N5 Tb2 C49 C48 95.4(3) . . . . ?
N5 Tb2 C49 C54 -141.1(3) . . . . ?
N5 Tb2 C55 C56 28.0(2) . . . . ?
N5 Tb2 C55 C59 141.9(2) . . . . ?
N5 Tb2 C55 C60 -96.8(3) . . . . ?
N5 Tb2 C56 C55 -154.4(2) . . . . ?
N5 Tb2 C56 C57 92.4(2) . . . . ?
N5 Tb2 C56 C61 -29.0(3) . . . . ?
N5 Tb2 C57 C56 -86.0(2) . . . . ?
N5 Tb2 C57 C58 160.7(2) . . . . ?
N5 Tb2 C57 C62 34.8(3) . . . . ?
N5 Tb2 C58 C57 -21.6(3) . . . . ?
N5 Tb2 C58 C59 -136.1(2) . . . . ?
N5 Tb2 C58 C63 101.8(4) . . . . ?
N5 Tb2 C59 C55 -53.0(3) . . . . ?
N5 Tb2 C59 C58 61.3(3) . . . . ?
N5 Tb2 C59 C64 -175.9(3) . . . . ?
N5 C8 C24 N6 -13.7(5) . . . . ?
N5 C8 C24 C23 163.2(3) . . . . ?
N5 C9 C19 N4 -18.1(5) . . . . ?
N5 C9 C19 C18 156.2(3) . . . . ?
N6 Tb2 N4 C15 -171.0(2) . . . . ?
N6 Tb2 N4 C19 -3.9(3) . . . . ?
N6 Tb2 N5 C8 -7.0(2) . . . . ?
N6 Tb2 N5 C9 170.0(3) . . . . ?
N6 Tb2 C45 C46 -18.0(3) . . . . ?
N6 Tb2 C45 C49 97.7(2) . . . . ?
N6 Tb2 C45 C50 -140.0(3) . . . . ?
N6 Tb2 C46 C45 164.6(2) . . . . ?
N6 Tb2 C46 C47 50.9(2) . . . . ?
N6 Tb2 C46 C51 -72.3(3) . . . . ?
N6 Tb2 C47 C46 -126.0(2) . . . . ?
N6 Tb2 C47 C48 119.1(2) . . . . ?
N6 Tb2 C47 C52 -4.5(3) . . . . ?
N6 Tb2 C48 C47 -56.9(2) . . . . ?
N6 Tb2 C48 C49 -169.4(2) . . . . ?
N6 Tb2 C48 C53 68.9(3) . . . . ?
N6 Tb2 C49 C45 -100.5(2) . . . . ?
N6 Tb2 C49 C48 12.3(3) . . . . ?
N6 Tb2 C49 C54 135.9(3) . . . . ?
N6 Tb2 C55 C56 83.1(2) . . . . ?
N6 Tb2 C55 C59 -163.0(2) . . . . ?
N6 Tb2 C55 C60 -41.8(3) . . . . ?
N6 Tb2 C56 C55 -89.6(2) . . . . ?
N6 Tb2 C56 C57 157.2(2) . . . . ?
N6 Tb2 C56 C61 35.8(3) . . . . ?
N6 Tb2 C57 C56 -22.7(2) . . . . ?
N6 Tb2 C57 C58 -136.0(2) . . . . ?
N6 Tb2 C57 C62 98.1(3) . . . . ?
N6 Tb2 C58 C57 54.5(3) . . . . ?
N6 Tb2 C58 C59 -60.0(3) . . . . ?
N6 Tb2 C58 C63 177.9(3) . . . . ?
N6 Tb2 C59 C55 17.3(2) . . . . ?
N6 Tb2 C59 C58 131.6(2) . . . . ?
N6 Tb2 C59 C64 -105.6(3) . . . . ?
N6 C20 C21 C22 -3.3(6) . . . . ?
C1 N1 C5 C4 3.5(5) . . . . ?
C1 N1 C5 C6 179.4(3) . . . . ?
C1 C2 C3 C4 2.4(5) . . . . ?
C1S O1S C4S C3S 26.5(5) . . . . ?
C1S C2S C3S C4S -23.3(5) . . . . ?
C2 C3 C4 C5 0.6(5) . . . . ?
C2S C3S C4S O1S -0.6(5) . . . . ?
C3 C4 C5 N1 -3.7(5) . . . . ?
C3 C4 C5 C6 -179.3(3) . . . . ?
C4 C5 C6 N2 160.3(3) . . . . ?
C4 C5 C6 C9 -20.1(6) . . . . ?
C4S O1S C1S C2S -42.1(5) . . . . ?
C5 N1 C1 C2 -0.3(5) . . . . ?
C5 C6 C9 N5 152.6(3) . . . . ?
C5 C6 C9 C19 -32.7(6) . . . . ?
C5S O2S C8S C7S 39.5(5) . . . . ?
C5S C6S C7S C8S 0.3(5) . . . . ?
C6 N2 C7 C8 9.2(5) . . . . ?
C6 N2 C7 C14 -166.3(3) . . . . ?
C6 C9 C19 N4 167.0(3) . . . . ?
C6 C9 C19 C18 -18.7(6) . . . . ?
C6S C7S C8S O2S -23.7(5) . . . . ?
C7 N2 C6 C5 -162.7(3) . . . . ?
C7 N2 C6 C9 17.7(5) . . . . ?
C7 C8 C24 N6 164.9(3) . . . . ?
C7 C8 C24 C23 -18.2(6) . . . . ?
C8 N5 C9 C6 9.3(5) . . . . ?
C8 N5 C9 C19 -165.9(3) . . . . ?
C8 C7 C14 N3 168.6(3) . . . . ?
C8 C7 C14 C13 -15.4(6) . . . . ?
C8S O2S C5S C6S -39.4(5) . . . . ?
C9 N5 C8 C7 17.9(5) . . . . ?
C9 N5 C8 C24 -163.4(3) . . . . ?
C9S O3S C12S C11S -18.9(7) . . . . ?
C9S C10S C11S C12S -19.8(6) . . . . ?
C10 N3 C14 C7 179.5(3) . . . . ?
C10 N3 C14 C13 3.4(5) . . . . ?
C10 C11 C12 C13 1.8(5) . . . . ?
C10S C11S C12S O3S 24.2(7) . . . . ?
C11 C12 C13 C14 0.8(5) . . . . ?
C12 C13 C14 N3 -3.5(5) . . . . ?
C12 C13 C14 C7 -179.2(3) . . . . ?
C12S O3S C9S C10S 5.3(6) . . . . ?
C14 N3 C10 C11 -0.8(5) . . . . ?
C14 C7 C8 N5 147.1(3) . . . . ?
C14 C7 C8 C24 -31.5(6) . . . . ?
C15 N4 C19 C9 178.3(3) . . . . ?
C15 N4 C19 C18 3.9(5) . . . . ?
C15 C16 C17 C18 1.8(5) . . . . ?
C16 C17 C18 C19 -0.9(5) . . . . ?
C17 C18 C19 N4 -2.0(5) . . . . ?
C17 C18 C19 C9 -176.0(3) . . . . ?
C19 N4 C15 C16 -3.0(6) . . . . ?
C20 N6 C24 C8 -178.0(3) . . . . ?
C20 N6 C24 C23 5.0(5) . . . . ?
C20 C21 C22 C23 1.9(6) . . . . ?
C21 C22 C23 C24 2.7(6) . . . . ?
C22 C23 C24 N6 -6.3(5) . . . . ?
C22 C23 C24 C8 176.9(3) . . . . ?
C24 N6 C20 C21 -0.2(5) . . . . ?
C25 Tb1 N1 C1 -64.5(3) . . . . ?
C25 Tb1 N1 C5 104.9(3) . . . . ?
C25 Tb1 N2 C6 -74.7(3) . . . . ?
C25 Tb1 N2 C7 102.3(3) . . . . ?
C25 Tb1 N3 C10 100.9(3) . . . . ?
C25 Tb1 N3 C14 -88.6(3) . . . . ?
C25 Tb1 C26 C27 -112.8(3) . . . . ?
C25 Tb1 C26 C31 125.5(4) . . . . ?
C25 Tb1 C27 C26 37.5(2) . . . . ?
C25 Tb1 C27 C28 -75.7(2) . . . . ?
C25 Tb1 C27 C32 159.2(4) . . . . ?
C25 Tb1 C28 C27 78.2(2) . . . . ?
C25 Tb1 C28 C29 -37.3(2) . . . . ?
C25 Tb1 C28 C33 -158.1(4) . . . . ?
C25 Tb1 C29 C28 113.2(3) . . . . ?
C25 Tb1 C29 C34 -122.4(4) . . . . ?
C25 Tb1 C35 C36 -39.7(9) . . . . ?
C25 Tb1 C35 C39 73.4(8) . . . . ?
C25 Tb1 C35 C40 -165.2(7) . . . . ?
C25 Tb1 C36 C35 170.8(2) . . . . ?
C25 Tb1 C36 C37 56.7(3) . . . . ?
C25 Tb1 C36 C41 -65.6(4) . . . . ?
C25 Tb1 C37 C36 -143.6(2) . . . . ?
C25 Tb1 C37 C38 102.6(2) . . . . ?
C25 Tb1 C37 C42 -21.4(4) . . . . ?
C25 Tb1 C38 C37 -96.8(2) . . . . ?
C25 Tb1 C38 C39 149.1(2) . . . . ?
C25 Tb1 C38 C43 26.3(4) . . . . ?
C25 Tb1 C39 C35 -164.9(2) . . . . ?
C25 Tb1 C39 C38 -51.1(3) . . . . ?
C25 Tb1 C39 C44 72.7(4) . . . . ?
C25 C26 C27 Tb1 -70.2(3) . . . . ?
C25 C26 C27 C28 0.1(4) . . . . ?
C25 C26 C27 C32 172.9(4) . . . . ?
C26 Tb1 N1 C1 -38.1(3) . . . . ?
C26 Tb1 N1 C5 131.3(3) . . . . ?
C26 Tb1 N2 C6 -75.1(3) . . . . ?
C26 Tb1 N2 C7 101.9(3) . . . . ?
C26 Tb1 N3 C10 68.0(3) . . . . ?
C26 Tb1 N3 C14 -121.5(3) . . . . ?
C26 Tb1 C25 C29 114.8(3) . . . . ?
C26 Tb1 C25 C30 -124.0(5) . . . . ?
C26 Tb1 C27 C28 -113.2(3) . . . . ?
C26 Tb1 C27 C32 121.8(4) . . . . ?
C26 Tb1 C28 C27 37.9(2) . . . . ?
C26 Tb1 C28 C29 -77.6(3) . . . . ?
C26 Tb1 C28 C33 161.6(4) . . . . ?
C26 Tb1 C29 C25 -36.8(2) . . . . ?
C26 Tb1 C29 C28 76.4(2) . . . . ?
C26 Tb1 C29 C34 -159.1(4) . . . . ?
C26 Tb1 C35 C36 -17.9(3) . . . . ?
C26 Tb1 C35 C39 95.2(3) . . . . ?
C26 Tb1 C35 C40 -143.3(3) . . . . ?
C26 Tb1 C36 C35 168.1(2) . . . . ?
C26 Tb1 C36 C37 54.0(3) . . . . ?
C26 Tb1 C36 C41 -68.3(4) . . . . ?
C26 Tb1 C37 C36 -131.5(2) . . . . ?
C26 Tb1 C37 C38 114.8(2) . . . . ?
C26 Tb1 C37 C42 -9.2(4) . . . . ?
C26 Tb1 C38 C37 -69.8(2) . . . . ?
C26 Tb1 C38 C39 176.1(2) . . . . ?
C26 Tb1 C38 C43 53.4(4) . . . . ?
C26 Tb1 C39 C35 -119.1(2) . . . . ?
C26 Tb1 C39 C38 -5.3(3) . . . . ?
C26 Tb1 C39 C44 118.4(3) . . . . ?
C26 C25 C29 Tb1 66.1(3) . . . . ?
C26 C25 C29 C28 -2.7(4) . . . . ?
C26 C25 C29 C34 -175.2(4) . . . . ?
C26 C27 C28 Tb1 -68.4(3) . . . . ?
C26 C27 C28 C29 -1.8(4) . . . . ?
C26 C27 C28 C33 165.9(4) . . . . ?
C27 Tb1 N1 C1 -44.1(3) . . . . ?
C27 Tb1 N1 C5 125.4(3) . . . . ?
C27 Tb1 N2 C6 -115.6(3) . . . . ?
C27 Tb1 N2 C7 61.4(3) . . . . ?
C27 Tb1 N3 C10 52.6(3) . . . . ?
C27 Tb1 N3 C14 -136.9(3) . . . . ?
C27 Tb1 C25 C26 -37.9(2) . . . . ?
C27 Tb1 C25 C29 76.9(2) . . . . ?
C27 Tb1 C25 C30 -161.9(4) . . . . ?
C27 Tb1 C26 C25 112.8(3) . . . . ?
C27 Tb1 C26 C31 -121.7(4) . . . . ?
C27 Tb1 C28 C29 -115.4(3) . . . . ?
C27 Tb1 C28 C33 123.7(5) . . . . ?
C27 Tb1 C29 C25 -77.2(3) . . . . ?
C27 Tb1 C29 C28 36.0(2) . . . . ?
C27 Tb1 C29 C34 160.5(4) . . . . ?
C27 Tb1 C35 C36 19.3(3) . . . . ?
C27 Tb1 C35 C39 132.4(2) . . . . ?
C27 Tb1 C35 C40 -106.2(3) . . . . ?
C27 Tb1 C36 C35 -164.3(2) . . . . ?
C27 Tb1 C36 C37 81.6(2) . . . . ?
C27 Tb1 C36 C41 -40.7(4) . . . . ?
C27 Tb1 C37 C36 -100.7(2) . . . . ?
C27 Tb1 C37 C38 145.5(2) . . . . ?
C27 Tb1 C37 C42 21.5(4) . . . . ?
C27 Tb1 C38 C37 -39.0(3) . . . . ?
C27 Tb1 C38 C39 -153.1(2) . . . . ?
C27 Tb1 C38 C43 84.2(4) . . . . ?
C27 Tb1 C39 C35 -73.3(3) . . . . ?
C27 Tb1 C39 C38 40.5(3) . . . . ?
C27 Tb1 C39 C44 164.3(3) . . . . ?
C27 C28 C29 Tb1 -65.6(3) . . . . ?
C27 C28 C29 C25 2.8(4) . . . . ?
C27 C28 C29 C34 175.1(4) . . . . ?
C28 Tb1 N1 C1 -78.9(3) . . . . ?
C28 Tb1 N1 C5 90.5(3) . . . . ?
C28 Tb1 N2 C6 -124.8(3) . . . . ?
C28 Tb1 N2 C7 52.1(3) . . . . ?
C28 Tb1 N3 C10 72.6(3) . . . . ?
C28 Tb1 N3 C14 -116.9(3) . . . . ?
C28 Tb1 C25 C26 -77.4(3) . . . . ?
C28 Tb1 C25 C29 37.4(2) . . . . ?
C28 Tb1 C25 C30 158.5(4) . . . . ?
C28 Tb1 C26 C25 75.9(3) . . . . ?
C28 Tb1 C26 C27 -36.9(2) . . . . ?
C28 Tb1 C26 C31 -158.6(4) . . . . ?
C28 Tb1 C27 C26 113.2(3) . . . . ?
C28 Tb1 C27 C32 -125.0(4) . . . . ?
C28 Tb1 C29 C25 -113.2(3) . . . . ?
C28 Tb1 C29 C34 124.4(4) . . . . ?
C28 Tb1 C35 C36 57.3(3) . . . . ?
C28 Tb1 C35 C39 170.4(2) . . . . ?
C28 Tb1 C35 C40 -68.1(4) . . . . ?
C28 Tb1 C36 C35 -137.6(2) . . . . ?
C28 Tb1 C36 C37 108.3(2) . . . . ?
C28 Tb1 C36 C41 -14.0(4) . . . . ?
C28 Tb1 C37 C36 -85.9(2) . . . . ?
C28 Tb1 C37 C38 160.3(2) . . . . ?
C28 Tb1 C37 C42 36.3(4) . . . . ?
C28 Tb1 C38 C37 -31.5(3) . . . . ?
C28 Tb1 C38 C39 -145.6(2) . . . . ?
C28 Tb1 C38 C43 91.6(4) . . . . ?
C28 Tb1 C39 C35 -22.7(5) . . . . ?
C28 Tb1 C39 C38 91.1(4) . . . . ?
C28 Tb1 C39 C44 -145.1(4) . . . . ?
C29 Tb1 N1 C1 -88.4(3) . . . . ?
C29 Tb1 N1 C5 81.1(3) . . . . ?
C29 Tb1 N2 C6 -101.7(3) . . . . ?
C29 Tb1 N2 C7 75.2(3) . . . . ?
C29 Tb1 N3 C10 101.5(3) . . . . ?
C29 Tb1 N3 C14 -88.0(3) . . . . ?
C29 Tb1 C25 C26 -114.8(3) . . . . ?
C29 Tb1 C25 C30 121.1(5) . . . . ?
C29 Tb1 C26 C25 36.3(2) . . . . ?
C29 Tb1 C26 C27 -76.5(2) . . . . ?
C29 Tb1 C26 C31 161.7(4) . . . . ?
C29 Tb1 C27 C26 77.0(2) . . . . ?
C29 Tb1 C27 C28 -36.2(2) . . . . ?
C29 Tb1 C27 C32 -161.3(4) . . . . ?
C29 Tb1 C28 C27 115.4(3) . . . . ?
C29 Tb1 C28 C33 -120.8(5) . . . . ?
C29 Tb1 C35 C36 90.3(4) . . . . ?
C29 Tb1 C35 C39 -156.7(3) . . . . ?
C29 Tb1 C35 C40 -35.2(5) . . . . ?
C29 Tb1 C36 C35 -138.6(2) . . . . ?
C29 Tb1 C36 C37 107.3(3) . . . . ?
C29 Tb1 C36 C41 -15.0(5) . . . . ?
C29 Tb1 C37 C36 -112.3(3) . . . . ?
C29 Tb1 C37 C38 133.9(2) . . . . ?
C29 Tb1 C37 C42 9.9(5) . . . . ?
C29 Tb1 C38 C37 -90.9(3) . . . . ?
C29 Tb1 C38 C39 155.0(3) . . . . ?
C29 Tb1 C38 C43 32.2(5) . . . . ?
C29 Tb1 C39 C35 131.1(5) . . . . ?
C29 Tb1 C39 C38 -115.1(6) . . . . ?
C29 Tb1 C39 C44 8.7(8) . . . . ?
C29 C25 C26 Tb1 -67.6(3) . . . . ?
C29 C25 C26 C27 1.7(4) . . . . ?
C29 C25 C26 C31 171.5(4) . . . . ?
C30 C25 C26 Tb1 123.8(4) . . . . ?
C30 C25 C26 C27 -167.0(4) . . . . ?
C30 C25 C26 C31 2.8(6) . . . . ?
C30 C25 C29 Tb1 -124.8(4) . . . . ?
C30 C25 C29 C28 166.4(3) . . . . ?
C30 C25 C29 C34 -6.1(6) . . . . ?
C31 C26 C27 Tb1 119.7(4) . . . . ?
C31 C26 C27 C28 -170.0(4) . . . . ?
C31 C26 C27 C32 2.8(6) . . . . ?
C32 C27 C28 Tb1 118.9(4) . . . . ?
C32 C27 C28 C29 -174.5(4) . . . . ?
C32 C27 C28 C33 -6.8(6) . . . . ?
C33 C28 C29 Tb1 126.2(4) . . . . ?
C33 C28 C29 C25 -165.4(4) . . . . ?
C33 C28 C29 C34 6.9(6) . . . . ?
C35 Tb1 N1 C1 106.4(3) . . . . ?
C35 Tb1 N1 C5 -84.1(3) . . . . ?
C35 Tb1 N2 C6 101.4(3) . . . . ?
C35 Tb1 N2 C7 -81.6(3) . . . . ?
C35 Tb1 N3 C10 -73.4(3) . . . . ?
C35 Tb1 N3 C14 97.1(3) . . . . ?
C35 Tb1 C25 C26 27.1(9) . . . . ?
C35 Tb1 C25 C29 141.9(7) . . . . ?
C35 Tb1 C25 C30 -97.0(8) . . . . ?
C35 Tb1 C26 C25 -173.7(2) . . . . ?
C35 Tb1 C26 C27 73.6(3) . . . . ?
C35 Tb1 C26 C31 -48.2(4) . . . . ?
C35 Tb1 C27 C26 -132.8(2) . . . . ?
C35 Tb1 C27 C28 114.0(2) . . . . ?
C35 Tb1 C27 C32 -11.1(4) . . . . ?
C35 Tb1 C28 C27 -90.5(3) . . . . ?
C35 Tb1 C28 C29 154.1(2) . . . . ?
C35 Tb1 C28 C33 33.3(4) . . . . ?
C35 Tb1 C29 C25 -166.7(3) . . . . ?
C35 Tb1 C29 C28 -53.4(4) . . . . ?
C35 Tb1 C29 C34 71.0(5) . . . . ?
C35 Tb1 C36 C37 -114.1(3) . . . . ?
C35 Tb1 C36 C41 123.6(5) . . . . ?
C35 Tb1 C37 C36 36.9(2) . . . . ?
C35 Tb1 C37 C38 -76.8(2) . . . . ?
C35 Tb1 C37 C42 159.2(4) . . . . ?
C35 Tb1 C38 C37 77.1(2) . . . . ?
C35 Tb1 C38 C39 -37.1(2) . . . . ?
C35 Tb1 C38 C43 -159.8(4) . . . . ?
C35 Tb1 C39 C38 113.8(3) . . . . ?
C35 Tb1 C39 C44 -122.4(4) . . . . ?
C35 C36 C37 Tb1 -67.5(3) . . . . ?
C35 C36 C37 C38 0.5(4) . . . . ?
C35 C36 C37 C42 166.3(4) . . . . ?
C36 Tb1 N1 C1 78.5(3) . . . . ?
C36 Tb1 N1 C5 -112.0(3) . . . . ?
C36 Tb1 N2 C6 109.2(3) . . . . ?
C36 Tb1 N2 C7 -73.9(3) . . . . ?
C36 Tb1 N3 C10 -43.8(3) . . . . ?
C36 Tb1 N3 C14 126.7(3) . . . . ?
C36 Tb1 C25 C26 -5.0(3) . . . . ?
C36 Tb1 C25 C29 109.8(3) . . . . ?
C36 Tb1 C25 C30 -129.0(3) . . . . ?
C36 Tb1 C26 C25 176.8(2) . . . . ?
C36 Tb1 C26 C27 64.0(3) . . . . ?
C36 Tb1 C26 C31 -57.8(3) . . . . ?
C36 Tb1 C27 C26 -123.2(2) . . . . ?
C36 Tb1 C27 C28 123.6(2) . . . . ?
C36 Tb1 C27 C32 -1.4(3) . . . . ?
C36 Tb1 C28 C27 -63.3(2) . . . . ?
C36 Tb1 C28 C29 -178.7(2) . . . . ?
C36 Tb1 C28 C33 60.4(4) . . . . ?
C36 Tb1 C29 C25 -111.3(3) . . . . ?
C36 Tb1 C29 C28 1.9(3) . . . . ?
C36 Tb1 C29 C34 126.3(3) . . . . ?
C36 Tb1 C35 C39 113.1(3) . . . . ?
C36 Tb1 C35 C40 -125.5(4) . . . . ?
C36 Tb1 C37 C38 -113.8(3) . . . . ?
C36 Tb1 C37 C42 122.2(5) . . . . ?
C36 Tb1 C38 C37 37.1(2) . . . . ?
C36 Tb1 C38 C39 -77.1(2) . . . . ?
C36 Tb1 C38 C43 160.2(4) . . . . ?
C36 Tb1 C39 C35 -37.4(2) . . . . ?
C36 Tb1 C39 C38 76.4(2) . . . . ?
C36 Tb1 C39 C44 -159.8(4) . . . . ?
C36 C35 C39 Tb1 69.3(3) . . . . ?
C36 C35 C39 C38 -0.9(4) . . . . ?
C36 C35 C39 C44 -171.7(3) . . . . ?
C36 C37 C38 Tb1 -67.6(3) . . . . ?
C36 C37 C38 C39 -1.1(4) . . . . ?
C36 C37 C38 C43 165.8(4) . . . . ?
C37 C38 C39 Tb1 -67.9(3) . . . . ?
C37 C38 C39 C35 1.3(4) . . . . ?
C37 C38 C39 C44 171.9(3) . . . . ?
C38 Tb1 N1 C1 67.5(3) . . . . ?
C38 Tb1 N1 C5 -123.0(3) . . . . ?
C38 Tb1 N2 C6 55.1(3) . . . . ?
C38 Tb1 N2 C7 -127.9(3) . . . . ?
C38 Tb1 N3 C10 -72.6(3) . . . . ?
C38 Tb1 N3 C14 97.9(3) . . . . ?
C38 Tb1 C25 C26 59.9(3) . . . . ?
C38 Tb1 C25 C29 174.7(2) . . . . ?
C38 Tb1 C25 C30 -64.2(4) . . . . ?
C38 Tb1 C26 C25 -131.5(2) . . . . ?
C38 Tb1 C26 C27 115.7(2) . . . . ?
C38 Tb1 C26 C31 -6.0(3) . . . . ?
C38 Tb1 C27 C26 -75.3(2) . . . . ?
C38 Tb1 C27 C28 171.5(2) . . . . ?
C38 Tb1 C27 C32 46.5(4) . . . . ?
C38 Tb1 C28 C27 -13.5(3) . . . . ?
C38 Tb1 C28 C29 -129.0(3) . . . . ?
C38 Tb1 C28 C33 110.2(4) . . . . ?
C38 Tb1 C29 C25 -9.9(4) . . . . ?
C38 Tb1 C29 C28 103.3(3) . . . . ?
C38 Tb1 C29 C34 -132.2(3) . . . . ?
C38 Tb1 C35 C36 -76.2(2) . . . . ?
C38 Tb1 C35 C39 36.9(2) . . . . ?
C38 Tb1 C35 C40 158.4(4) . . . . ?
C38 Tb1 C36 C35 77.3(2) . . . . ?
C38 Tb1 C36 C37 -36.9(2) . . . . ?
C38 Tb1 C36 C41 -159.2(4) . . . . ?
C38 Tb1 C37 C36 113.8(3) . . . . ?
C38 Tb1 C37 C42 -124.0(5) . . . . ?
C38 Tb1 C39 C35 -113.8(3) . . . . ?
C38 Tb1 C39 C44 123.8(4) . . . . ?
C39 Tb1 N1 C1 98.4(3) . . . . ?
C39 Tb1 N1 C5 -92.2(3) . . . . ?
C39 Tb1 N2 C6 71.6(3) . . . . ?
C39 Tb1 N2 C7 -111.4(3) . . . . ?
C39 Tb1 N3 C10 -90.8(3) . . . . ?
C39 Tb1 N3 C14 79.7(3) . . . . ?
C39 Tb1 C25 C26 87.6(3) . . . . ?
C39 Tb1 C25 C29 -157.6(2) . . . . ?
C39 Tb1 C25 C30 -36.5(5) . . . . ?
C39 Tb1 C26 C25 -128.7(2) . . . . ?
C39 Tb1 C26 C27 118.5(2) . . . . ?
C39 Tb1 C26 C31 -3.2(4) . . . . ?
C39 Tb1 C27 C26 -96.5(3) . . . . ?
C39 Tb1 C27 C28 150.3(2) . . . . ?
C39 Tb1 C27 C32 25.3(4) . . . . ?
C39 Tb1 C28 C27 -75.3(4) . . . . ?
C39 Tb1 C28 C29 169.3(3) . . . . ?
C39 Tb1 C28 C33 48.4(6) . . . . ?
C39 Tb1 C29 C25 83.1(6) . . . . ?
C39 Tb1 C29 C28 -163.6(5) . . . . ?
C39 Tb1 C29 C34 -39.2(8) . . . . ?
C39 Tb1 C35 C36 -113.1(3) . . . . ?
C39 Tb1 C35 C40 121.5(4) . . . . ?
C39 Tb1 C36 C35 37.4(2) . . . . ?
C39 Tb1 C36 C37 -76.7(2) . . . . ?
C39 Tb1 C36 C41 161.0(4) . . . . ?
C39 Tb1 C37 C36 76.8(2) . . . . ?
C39 Tb1 C37 C38 -36.9(2) . . . . ?
C39 Tb1 C37 C42 -160.9(4) . . . . ?
C39 Tb1 C38 C37 114.1(3) . . . . ?
C39 Tb1 C38 C43 -122.7(5) . . . . ?
C39 C35 C36 Tb1 -68.4(3) . . . . ?
C39 C35 C36 C37 0.2(4) . . . . ?
C39 C35 C36 C41 167.1(4) . . . . ?
C40 C35 C36 Tb1 121.3(4) . . . . ?
C40 C35 C36 C37 -170.0(4) . . . . ?
C40 C35 C36 C41 -3.2(6) . . . . ?
C40 C35 C39 Tb1 -120.1(4) . . . . ?
C40 C35 C39 C38 169.7(3) . . . . ?
C40 C35 C39 C44 -1.1(6) . . . . ?
C41 C36 C37 Tb1 125.3(4) . . . . ?
C41 C36 C37 C38 -166.6(4) . . . . ?
C41 C36 C37 C42 -0.9(6) . . . . ?
C42 C37 C38 Tb1 126.8(4) . . . . ?
C42 C37 C38 C39 -166.7(4) . . . . ?
C42 C37 C38 C43 0.2(6) . . . . ?
C43 C38 C39 Tb1 125.3(4) . . . . ?
C43 C38 C39 C35 -165.5(4) . . . . ?
C43 C38 C39 C44 5.2(6) . . . . ?
C45 Tb2 N4 C15 73.4(3) . . . . ?
C45 Tb2 N4 C19 -119.5(3) . . . . ?
C45 Tb2 N5 C8 -124.2(3) . . . . ?
C45 Tb2 N5 C9 52.7(3) . . . . ?
C45 Tb2 N6 C20 -81.3(3) . . . . ?
C45 Tb2 N6 C24 92.7(3) . . . . ?
C45 Tb2 C46 C47 -113.7(3) . . . . ?
C45 Tb2 C46 C51 123.0(4) . . . . ?
C45 Tb2 C47 C46 37.0(2) . . . . ?
C45 Tb2 C47 C48 -77.9(2) . . . . ?
C45 Tb2 C47 C52 158.5(4) . . . . ?
C45 Tb2 C48 C47 75.4(2) . . . . ?
C45 Tb2 C48 C49 -37.0(2) . . . . ?
C45 Tb2 C48 C53 -158.7(4) . . . . ?
C45 Tb2 C49 C48 112.9(3) . . . . ?
C45 Tb2 C49 C54 -123.6(5) . . . . ?
C45 Tb2 C55 C56 -152.7(2) . . . . ?
C45 Tb2 C55 C59 -38.8(3) . . . . ?
C45 Tb2 C55 C60 82.4(4) . . . . ?
C45 Tb2 C56 C55 72.7(5) . . . . ?
C45 Tb2 C56 C57 -40.5(5) . . . . ?
C45 Tb2 C56 C61 -161.9(3) . . . . ?
C45 Tb2 C57 C56 163.9(2) . . . . ?
C45 Tb2 C57 C58 50.7(3) . . . . ?
C45 Tb2 C57 C62 -75.2(3) . . . . ?
C45 Tb2 C58 C57 -143.6(2) . . . . ?
C45 Tb2 C58 C59 101.9(2) . . . . ?
C45 Tb2 C58 C63 -20.1(4) . . . . ?
C45 Tb2 C59 C55 154.1(2) . . . . ?
C45 Tb2 C59 C58 -91.6(2) . . . . ?
C45 Tb2 C59 C64 31.2(4) . . . . ?
C45 C46 C47 Tb2 -69.0(3) . . . . ?
C45 C46 C47 C48 -3.9(4) . . . . ?
C45 C46 C47 C52 166.4(4) . . . . ?
C46 Tb2 N4 C15 101.9(3) . . . . ?
C46 Tb2 N4 C19 -90.9(3) . . . . ?
C46 Tb2 N5 C8 -101.2(3) . . . . ?
C46 Tb2 N5 C9 75.8(3) . . . . ?
C46 Tb2 N6 C20 -90.1(3) . . . . ?
C46 Tb2 N6 C24 83.8(3) . . . . ?
C46 Tb2 C45 C49 115.7(3) . . . . ?
C46 Tb2 C45 C50 -122.1(5) . . . . ?
C46 Tb2 C47 C48 -114.9(3) . . . . ?
C46 Tb2 C47 C52 121.5(5) . . . . ?
C46 Tb2 C48 C47 36.1(2) . . . . ?
C46 Tb2 C48 C49 -76.3(2) . . . . ?
C46 Tb2 C48 C53 162.0(4) . . . . ?
C46 Tb2 C49 C45 -35.9(2) . . . . ?
C46 Tb2 C49 C48 76.9(2) . . . . ?
C46 Tb2 C49 C54 -159.5(4) . . . . ?
C46 Tb2 C55 C56 155.3(2) . . . . ?
C46 Tb2 C55 C59 -90.8(3) . . . . ?
C46 Tb2 C55 C60 30.5(5) . . . . ?
C46 Tb2 C56 C55 -102.4(6) . . . . ?
C46 Tb2 C56 C57 144.5(5) . . . . ?
C46 Tb2 C56 C61 23.1(7) . . . . ?
C46 Tb2 C57 C56 -160.1(3) . . . . ?
C46 Tb2 C57 C58 86.6(4) . . . . ?
C46 Tb2 C57 C62 -39.3(5) . . . . ?
C46 Tb2 C58 C57 -143.1(2) . . . . ?
C46 Tb2 C58 C59 102.4(3) . . . . ?
C46 Tb2 C58 C63 -19.6(5) . . . . ?
C46 Tb2 C59 C55 130.4(2) . . . . ?
C46 Tb2 C59 C58 -115.2(2) . . . . ?
C46 Tb2 C59 C64 7.5(4) . . . . ?
C46 C45 C49 Tb2 66.3(3) . . . . ?
C46 C45 C49 C48 -2.1(4) . . . . ?
C46 C45 C49 C54 -171.9(4) . . . . ?
C46 C47 C48 Tb2 -66.9(3) . . . . ?
C46 C47 C48 C49 2.6(4) . . . . ?
C46 C47 C48 C53 177.4(4) . . . . ?
C47 Tb2 N4 C15 101.5(3) . . . . ?
C47 Tb2 N4 C19 -91.3(3) . . . . ?
C47 Tb2 N5 C8 -74.0(3) . . . . ?
C47 Tb2 N5 C9 103.0(3) . . . . ?
C47 Tb2 N6 C20 -66.3(3) . . . . ?
C47 Tb2 N6 C24 107.7(3) . . . . ?
C47 Tb2 C45 C46 -37.0(2) . . . . ?
C47 Tb2 C45 C49 78.6(2) . . . . ?
C47 Tb2 C45 C50 -159.1(4) . . . . ?
C47 Tb2 C46 C45 113.7(3) . . . . ?
C47 Tb2 C46 C51 -123.2(4) . . . . ?
C47 Tb2 C48 C49 -112.4(3) . . . . ?
C47 Tb2 C48 C53 125.8(4) . . . . ?
C47 Tb2 C49 C45 -75.3(2) . . . . ?
C47 Tb2 C49 C48 37.6(2) . . . . ?
C47 Tb2 C49 C54 161.1(4) . . . . ?
C47 Tb2 C55 C56 145.1(2) . . . . ?
C47 Tb2 C55 C59 -100.9(2) . . . . ?
C47 Tb2 C55 C60 20.3(4) . . . . ?
C47 Tb2 C56 C55 -54.5(3) . . . . ?
C47 Tb2 C56 C57 -167.7(2) . . . . ?
C47 Tb2 C56 C61 70.9(4) . . . . ?
C47 Tb2 C57 C56 51.0(8) . . . . ?
C47 Tb2 C57 C58 -62.3(8) . . . . ?
C47 Tb2 C57 C62 171.8(6) . . . . ?
C47 Tb2 C58 C57 165.5(2) . . . . ?
C47 Tb2 C58 C59 51.0(3) . . . . ?
C47 Tb2 C58 C63 -71.1(4) . . . . ?
C47 Tb2 C59 C55 97.7(2) . . . . ?
C47 Tb2 C59 C58 -148.0(2) . . . . ?
C47 Tb2 C59 C64 -25.2(4) . . . . ?
C47 C48 C49 Tb2 -71.2(3) . . . . ?
C47 C48 C49 C45 -0.3(4) . . . . ?
C47 C48 C49 C54 169.3(4) . . . . ?
C48 Tb2 N4 C15 68.4(3) . . . . ?
C48 Tb2 N4 C19 -124.5(3) . . . . ?
C48 Tb2 N5 C8 -73.5(3) . . . . ?
C48 Tb2 N5 C9 103.4(3) . . . . ?
C48 Tb2 N6 C20 -39.9(3) . . . . ?
C48 Tb2 N6 C24 134.1(3) . . . . ?
C48 Tb2 C45 C46 -77.4(2) . . . . ?
C48 Tb2 C45 C49 38.3(2) . . . . ?
C48 Tb2 C45 C50 160.6(4) . . . . ?
C48 Tb2 C46 C45 76.9(2) . . . . ?
C48 Tb2 C46 C47 -36.8(2) . . . . ?
C48 Tb2 C46 C51 -160.1(4) . . . . ?
C48 Tb2 C47 C46 114.9(3) . . . . ?
C48 Tb2 C47 C52 -123.6(5) . . . . ?
C48 Tb2 C49 C45 -112.9(3) . . . . ?
C48 Tb2 C49 C54 123.6(5) . . . . ?
C48 Tb2 C55 C56 170.2(2) . . . . ?
C48 Tb2 C55 C59 -75.9(2) . . . . ?
C48 Tb2 C55 C60 45.4(3) . . . . ?
C48 Tb2 C56 C55 -12.7(3) . . . . ?
C48 Tb2 C56 C57 -125.9(2) . . . . ?
C48 Tb2 C56 C61 112.7(3) . . . . ?
C48 Tb2 C57 C56 85.2(3) . . . . ?
C48 Tb2 C57 C58 -28.1(3) . . . . ?
C48 Tb2 C57 C62 -154.0(3) . . . . ?
C48 Tb2 C58 C57 161.5(2) . . . . ?
C48 Tb2 C58 C59 47.0(3) . . . . ?
C48 Tb2 C58 C63 -75.0(4) . . . . ?
C48 Tb2 C59 C55 107.6(2) . . . . ?
C48 Tb2 C59 C58 -138.0(2) . . . . ?
C48 Tb2 C59 C64 -15.3(4) . . . . ?
C49 Tb2 N4 C15 53.0(3) . . . . ?
C49 Tb2 N4 C19 -139.8(3) . . . . ?
C49 Tb2 N5 C8 -115.2(3) . . . . ?
C49 Tb2 N5 C9 61.7(3) . . . . ?
C49 Tb2 N6 C20 -46.2(3) . . . . ?
C49 Tb2 N6 C24 127.7(3) . . . . ?
C49 Tb2 C45 C46 -115.7(3) . . . . ?
C49 Tb2 C45 C50 122.3(5) . . . . ?
C49 Tb2 C46 C45 36.1(2) . . . . ?
C49 Tb2 C46 C47 -77.6(2) . . . . ?
C49 Tb2 C46 C51 159.1(4) . . . . ?
C49 Tb2 C47 C46 76.6(2) . . . . ?
C49 Tb2 C47 C48 -38.3(2) . . . . ?
C49 Tb2 C47 C52 -161.9(4) . . . . ?
C49 Tb2 C48 C47 112.4(3) . . . . ?
C49 Tb2 C48 C53 -121.8(4) . . . . ?
C49 Tb2 C55 C56 -159.2(2) . . . . ?
C49 Tb2 C55 C59 -45.3(2) . . . . ?
C49 Tb2 C55 C60 75.9(3) . . . . ?
C49 Tb2 C56 C55 30.2(3) . . . . ?
C49 Tb2 C56 C57 -82.9(3) . . . . ?
C49 Tb2 C56 C61 155.7(3) . . . . ?
C49 Tb2 C57 C56 124.7(2) . . . . ?
C49 Tb2 C57 C58 11.5(3) . . . . ?
C49 Tb2 C57 C62 -114.4(3) . . . . ?
C49 Tb2 C58 C57 -170.8(2) . . . . ?
C49 Tb2 C58 C59 74.7(2) . . . . ?
C49 Tb2 C58 C63 -47.4(4) . . . . ?
C49 Tb2 C59 C55 138.5(2) . . . . ?
C49 Tb2 C59 C58 -107.1(2) . . . . ?
C49 Tb2 C59 C64 15.6(4) . . . . ?
C49 C45 C46 Tb2 -64.9(3) . . . . ?
C49 C45 C46 C47 3.7(4) . . . . ?
C49 C45 C46 C51 176.6(4) . . . . ?
C50 C45 C46 Tb2 126.1(4) . . . . ?
C50 C45 C46 C47 -165.3(4) . . . . ?
C50 C45 C46 C51 7.6(6) . . . . ?
C50 C45 C49 Tb2 -124.9(4) . . . . ?
C50 C45 C49 C48 166.7(4) . . . . ?
C50 C45 C49 C54 -3.1(6) . . . . ?
C51 C46 C47 Tb2 118.2(4) . . . . ?
C51 C46 C47 C48 -176.8(4) . . . . ?
C51 C46 C47 C52 -6.4(6) . . . . ?
C52 C47 C48 Tb2 123.1(4) . . . . ?
C52 C47 C48 C49 -167.3(4) . . . . ?
C52 C47 C48 C53 7.5(6) . . . . ?
C53 C48 C49 Tb2 113.8(4) . . . . ?
C53 C48 C49 C45 -175.3(3) . . . . ?
C53 C48 C49 C54 -5.7(6) . . . . ?
C55 Tb2 N4 C15 -66.9(3) . . . . ?
C55 Tb2 N4 C19 100.2(3) . . . . ?
C55 Tb2 N5 C8 55.3(3) . . . . ?
C55 Tb2 N5 C9 -127.8(3) . . . . ?
C55 Tb2 N6 C20 61.4(3) . . . . ?
C55 Tb2 N6 C24 -124.7(3) . . . . ?
C55 Tb2 C45 C46 -127.8(2) . . . . ?
C55 Tb2 C45 C49 -12.1(3) . . . . ?
C55 Tb2 C45 C50 110.1(4) . . . . ?
C55 Tb2 C46 C45 96.1(3) . . . . ?
C55 Tb2 C46 C47 -17.6(4) . . . . ?
C55 Tb2 C46 C51 -140.9(3) . . . . ?
C55 Tb2 C47 C46 169.8(2) . . . . ?
C55 Tb2 C47 C48 55.0(3) . . . . ?
C55 Tb2 C47 C52 -68.6(4) . . . . ?
C55 Tb2 C48 C47 -134.2(2) . . . . ?
C55 Tb2 C48 C49 113.4(2) . . . . ?
C55 Tb2 C48 C53 -8.4(3) . . . . ?
C55 Tb2 C49 C45 171.8(2) . . . . ?
C55 Tb2 C49 C48 -75.3(2) . . . . ?
C55 Tb2 C49 C54 48.2(4) . . . . ?
C55 Tb2 C56 C57 -113.2(3) . . . . ?
C55 Tb2 C56 C61 125.4(4) . . . . ?
C55 Tb2 C57 C56 37.4(2) . . . . ?
C55 Tb2 C57 C58 -75.9(2) . . . . ?
C55 Tb2 C57 C62 158.2(4) . . . . ?
C55 Tb2 C58 C57 77.7(2) . . . . ?
C55 Tb2 C58 C59 -36.8(2) . . . . ?
C55 Tb2 C58 C63 -158.8(4) . . . . ?
C55 Tb2 C59 C58 114.3(3) . . . . ?
C55 Tb2 C59 C64 -122.9(4) . . . . ?
C55 C56 C57 Tb2 -69.9(3) . . . . ?
C55 C56 C57 C58 -0.4(4) . . . . ?
C55 C56 C57 C62 173.3(3) . . . . ?
C56 Tb2 N4 C15 -89.3(3) . . . . ?
C56 Tb2 N4 C19 77.9(3) . . . . ?
C56 Tb2 N5 C8 69.1(3) . . . . ?
C56 Tb2 N5 C9 -114.0(3) . . . . ?
C56 Tb2 N6 C20 92.6(3) . . . . ?
C56 Tb2 N6 C24 -93.4(3) . . . . ?
C56 Tb2 C45 C46 -177.9(3) . . . . ?
C56 Tb2 C45 C49 -62.2(5) . . . . ?
C56 Tb2 C45 C50 60.0(6) . . . . ?
C56 Tb2 C46 C45 177.0(5) . . . . ?
C56 Tb2 C46 C47 63.3(6) . . . . ?
C56 Tb2 C46 C51 -59.9(7) . . . . ?
C56 Tb2 C47 C46 -161.5(2) . . . . ?
C56 Tb2 C47 C48 83.6(3) . . . . ?
C56 Tb2 C47 C52 -40.0(4) . . . . ?
C56 Tb2 C48 C47 -127.7(2) . . . . ?
C56 Tb2 C48 C49 119.9(2) . . . . ?
C56 Tb2 C48 C53 -1.9(4) . . . . ?
C56 Tb2 C49 C45 155.9(2) . . . . ?
C56 Tb2 C49 C48 -91.2(3) . . . . ?
C56 Tb2 C49 C54 32.4(4) . . . . ?
C56 Tb2 C55 C59 113.9(3) . . . . ?
C56 Tb2 C55 C60 -124.8(4) . . . . ?
C56 Tb2 C57 C58 -113.3(3) . . . . ?
C56 Tb2 C57 C62 120.8(4) . . . . ?
C56 Tb2 C58 C57 37.5(2) . . . . ?
C56 Tb2 C58 C59 -77.0(2) . . . . ?
C56 Tb2 C58 C63 161.0(4) . . . . ?
C56 Tb2 C59 C55 -37.2(2) . . . . ?
C56 Tb2 C59 C58 77.1(2) . . . . ?
C56 Tb2 C59 C64 -160.1(4) . . . . ?
C56 C55 C59 Tb2 66.7(2) . . . . ?
C56 C55 C59 C58 -1.0(4) . . . . ?
C56 C55 C59 C64 -166.8(4) . . . . ?
C56 C57 C58 Tb2 -68.4(3) . . . . ?
C56 C57 C58 C59 -0.2(4) . . . . ?
C56 C57 C58 C63 164.8(4) . . . . ?
C57 Tb2 N4 C15 -74.6(3) . . . . ?
C57 Tb2 N4 C19 92.5(3) . . . . ?
C57 Tb2 N5 C8 99.5(3) . . . . ?
C57 Tb2 N5 C9 -83.6(3) . . . . ?
C57 Tb2 N6 C20 104.2(3) . . . . ?
C57 Tb2 N6 C24 -81.8(3) . . . . ?
C57 Tb2 C45 C46 154.5(2) . . . . ?
C57 Tb2 C45 C49 -89.9(3) . . . . ?
C57 Tb2 C45 C50 32.4(4) . . . . ?
C57 Tb2 C46 C45 -56.5(4) . . . . ?
C57 Tb2 C46 C47 -170.2(3) . . . . ?
C57 Tb2 C46 C51 66.6(5) . . . . ?
C57 Tb2 C47 C46 157.7(6) . . . . ?
C57 Tb2 C47 C48 42.9(8) . . . . ?
C57 Tb2 C47 C52 -80.7(8) . . . . ?
C57 Tb2 C48 C47 -169.5(2) . . . . ?
C57 Tb2 C48 C49 78.1(3) . . . . ?
C57 Tb2 C48 C53 -43.7(4) . . . . ?
C57 Tb2 C49 C45 116.6(2) . . . . ?
C57 Tb2 C49 C48 -130.6(2) . . . . ?
C57 Tb2 C49 C54 -7.0(4) . . . . ?
C57 Tb2 C55 C56 -37.4(2) . . . . ?
C57 Tb2 C55 C59 76.5(2) . . . . ?
C57 Tb2 C55 C60 -162.3(4) . . . . ?
C57 Tb2 C56 C55 113.2(3) . . . . ?
C57 Tb2 C56 C61 -121.4(4) . . . . ?
C57 Tb2 C58 C59 -114.5(3) . . . . ?
C57 Tb2 C58 C63 123.5(5) . . . . ?
C57 Tb2 C59 C55 -77.4(2) . . . . ?
C57 Tb2 C59 C58 36.9(2) . . . . ?
C57 Tb2 C59 C64 159.7(4) . . . . ?
C57 C58 C59 Tb2 -66.9(3) . . . . ?
C57 C58 C59 C55 0.8(4) . . . . ?
C57 C58 C59 C64 166.6(4) . . . . ?
C58 Tb2 N4 C15 -44.1(3) . . . . ?
C58 Tb2 N4 C19 123.0(3) . . . . ?
C58 Tb2 N5 C8 110.2(3) . . . . ?
C58 Tb2 N5 C9 -72.8(3) . . . . ?
C58 Tb2 N6 C20 79.3(3) . . . . ?
C58 Tb2 N6 C24 -106.7(3) . . . . ?
C58 Tb2 C45 C46 179.4(2) . . . . ?
C58 Tb2 C45 C49 -64.9(2) . . . . ?
C58 Tb2 C45 C50 57.3(4) . . . . ?
C58 Tb2 C46 C45 -0.9(3) . . . . ?
C58 Tb2 C46 C47 -114.6(3) . . . . ?
C58 Tb2 C46 C51 122.2(3) . . . . ?
C58 Tb2 C47 C46 107.7(3) . . . . ?
C58 Tb2 C47 C48 -7.1(3) . . . . ?
C58 Tb2 C47 C52 -130.8(3) . . . . ?
C58 Tb2 C48 C47 175.5(2) . . . . ?
C58 Tb2 C48 C49 63.0(2) . . . . ?
C58 Tb2 C48 C53 -58.7(3) . . . . ?
C58 Tb2 C49 C45 122.4(2) . . . . ?
C58 Tb2 C49 C48 -124.8(2) . . . . ?
C58 Tb2 C49 C54 -1.2(4) . . . . ?
C58 Tb2 C55 C56 -77.4(2) . . . . ?
C58 Tb2 C55 C59 36.5(2) . . . . ?
C58 Tb2 C55 C60 157.8(4) . . . . ?
C58 Tb2 C56 C55 76.0(2) . . . . ?
C58 Tb2 C56 C57 -37.2(2) . . . . ?
C58 Tb2 C56 C61 -158.6(4) . . . . ?
C58 Tb2 C57 C56 113.3(3) . . . . ?
C58 Tb2 C57 C62 -125.9(4) . . . . ?
C58 Tb2 C59 C55 -114.3(3) . . . . ?
C58 Tb2 C59 C64 122.8(5) . . . . ?
C59 C55 C56 Tb2 -68.1(3) . . . . ?
C59 C55 C56 C57 0.9(4) . . . . ?
C59 C55 C56 C61 174.2(4) . . . . ?
C60 C55 C56 Tb2 123.9(4) . . . . ?
C60 C55 C56 C57 -167.1(4) . . . . ?
C60 C55 C56 C61 6.3(6) . . . . ?
C60 C55 C59 Tb2 -124.8(4) . . . . ?
C60 C55 C59 C58 167.6(3) . . . . ?
C60 C55 C59 C64 1.8(6) . . . . ?
C61 C56 C57 Tb2 116.5(4) . . . . ?
C61 C56 C57 C58 -174.0(3) . . . . ?
C61 C56 C57 C62 -0.3(6) . . . . ?
C62 C57 C58 Tb2 118.2(4) . . . . ?
C62 C57 C58 C59 -173.6(4) . . . . ?
C62 C57 C58 C63 -8.6(6) . . . . ?
C63 C58 C59 Tb2 127.6(4) . . . . ?
C63 C58 C59 C55 -164.7(4) . . . . ?
C63 C58 C59 C64 1.1(6) . . . . ?
C65 C66 C67 C68 1.7(7) . . . . ?
C66 C65 C70 C69 0.8(6) . . . . ?
C66 C65 B1 C71 -33.0(5) . . . . ?
C66 C65 B1 C77 -145.2(4) . . . . ?
C66 C65 B1 C83 90.8(4) . . . . ?
C66 C67 C68 C69 -0.8(7) . . . . ?
C67 C68 C69 C70 -0.1(7) . . . . ?
C68 C69 C70 C65 0.1(6) . . . . ?
C70 C65 C66 C67 -1.6(6) . . . . ?
C70 C65 B1 C71 152.7(4) . . . . ?
C70 C65 B1 C77 40.5(5) . . . . ?
C70 C65 B1 C83 -83.5(4) . . . . ?
C71 C72 C73 C74 0.9(7) . . . . ?
C72 C71 C76 C75 -0.7(6) . . . . ?
C72 C71 B1 C65 -37.0(5) . . . . ?
C72 C71 B1 C77 82.6(4) . . . . ?
C72 C71 B1 C83 -155.8(4) . . . . ?
C72 C73 C74 C75 -0.2(7) . . . . ?
C73 C74 C75 C76 -0.9(7) . . . . ?
C74 C75 C76 C71 1.4(6) . . . . ?
C76 C71 C72 C73 -0.4(6) . . . . ?
C76 C71 B1 C65 155.6(3) . . . . ?
C76 C71 B1 C77 -84.8(4) . . . . ?
C76 C71 B1 C83 36.8(5) . . . . ?
C77 C78 C79 C80 2.2(6) . . . . ?
C78 C77 C82 C81 0.9(6) . . . . ?
C78 C77 B1 C65 36.9(5) . . . . ?
C78 C77 B1 C71 -82.7(4) . . . . ?
C78 C77 B1 C83 155.9(3) . . . . ?
C78 C79 C80 C81 -0.6(6) . . . . ?
C79 C80 C81 C82 -0.8(6) . . . . ?
C80 C81 C82 C77 0.6(6) . . . . ?
C82 C77 C78 C79 -2.3(6) . . . . ?
C82 C77 B1 C65 -154.5(4) . . . . ?
C82 C77 B1 C71 85.9(4) . . . . ?
C82 C77 B1 C83 -35.6(5) . . . . ?
C83 C84 C85 C86 1.6(6) . . . . ?
C84 C83 C88 C87 -0.4(6) . . . . ?
C84 C83 B1 C65 -79.5(4) . . . . ?
C84 C83 B1 C71 43.6(5) . . . . ?
C84 C83 B1 C77 157.2(3) . . . . ?
C84 C85 C86 C87 -0.3(6) . . . . ?
C85 C86 C87 C88 -1.3(6) . . . . ?
C86 C87 C88 C83 1.7(6) . . . . ?
C88 C83 C84 C85 -1.2(6) . . . . ?
C88 C83 B1 C65 93.6(4) . . . . ?
C88 C83 B1 C71 -143.3(4) . . . . ?
C88 C83 B1 C77 -29.6(5) . . . . ?
B1 C65 C66 C67 -176.4(4) . . . . ?
B1 C65 C70 C69 175.5(4) . . . . ?
B1 C71 C72 C73 -168.7(4) . . . . ?
B1 C71 C76 C75 167.5(4) . . . . ?
B1 C77 C78 C79 167.1(4) . . . . ?
B1 C77 C82 C81 -168.2(4) . . . . ?
B1 C83 C84 C85 172.4(4) . . . . ?
B1 C83 C88 C87 -173.9(4) . . . . ?

_database_code_depnum_ccdc_archive 'CCDC 1014883'
#######################################################################
#
#                 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_compound1
_audit_creation_date             2013-05-26
_audit_creation_method           
;
  Olex2 1.2
  (compiled Apr 23 2013 17:59:47, GUI svn.r4466)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C64 H76 Gd2 N6, 4(C4 H8 O), C24 H20 B'
_chemical_formula_sum            'C104 H128 B Gd2 N6 O4'
_chemical_formula_weight         1851.43
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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'
Gd Gd -0.1653 3.9035 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, -z'

_cell_length_a                   16.4717(6)
_cell_length_b                   17.8945(7)
_cell_length_c                   18.2112(7)
_cell_angle_alpha                115.277(2)
_cell_angle_beta                 98.616(2)
_cell_angle_gamma                102.884(2)
_cell_volume                     4545.2(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9763
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.3074
_cell_measurement_theta_min      2.3351
_exptl_absorpt_coefficient_mu    1.502
_exptl_absorpt_correction_T_max  0.8893
_exptl_absorpt_correction_T_min  0.7533
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.353
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1918
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0831
_diffrn_reflns_av_unetI/netI     0.0840
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            88606
_diffrn_reflns_theta_full        25.42
_diffrn_reflns_theta_max         25.42
_diffrn_reflns_theta_min         1.32
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_reflns_number_gt                11925
_reflns_number_total             16634
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       'Bruker APEX2 v. 2009.1'
_computing_data_collection       'Bruker APEX2 v. 2009.1'
_computing_data_reduction        'Bruker APEX2 v. 2009.1'
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_refine_diff_density_max         1.343
_refine_diff_density_min         -0.809
_refine_diff_density_rms         0.133
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1074
_refine_ls_number_reflns         16634
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0757
_refine_ls_R_factor_gt           0.0423
_refine_ls_restrained_S_all      1.039
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0272P)²+6.0673P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0745
_refine_ls_wR_factor_ref         0.0850
_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. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C1S(H1SA,H1SB), C2S(H2SA,H2SB), C3S(H3SA,H3SB), C4S(H4SA,H4SB), C5S(H5SA,
 H5SB), C6S(H6SA,H6SB), C7S(H7SA,H7SB), C8S(H8SA,H8SB), C9S(H9SA,H9SB),
 C10S(H10A,H10B), C11S(H11A,H11B), C12S(H12A,H12B), C13S(H13A,H13B), C14S(H14A,
 H14B), C15S(H15A,H15B), C16S(H16A,H16B)
2.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C11(H11), C12(H12), C13(H13), C14(H14),
 C15(H15), C16(H16), C17(H17), C18(H18), C20(H20), C21(H21), C22(H22), C23(H23),
  C66(H66), C67(H67), C68(H68), C69(H69), C70(H70), C72(H72), C73(H73),
 C74(H74), C75(H75), C76(H76), C78(H78), C79(H79), C80(H80), C81(H81), C82(H82),
  C84(H84), C85(H85), C86(H86), C87(H87), C88(H88)
2.c Idealised Me refined as rotating group:
 C30(H30A,H30B,H30C), C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C33(H33A,H33B,
 H33C), C34(H34A,H34B,H34C), C40(H40A,H40B,H40C), C41(H41A,H41B,H41C), C42(H42A,
 H42B,H42C), C43(H43A,H43B,H43C), C44(H44A,H44B,H44C), C50(H50A,H50B,H50C),
 C51(H51A,H51B,H51C), C52(H52A,H52B,H52C), C53(H53A,H53B,H53C), C54(H54A,H54B,
 H54C), C60(H60A,H60B,H60C), C61(H61A,H61B,H61C), C62(H62A,H62B,H62C), C63(H63A,
 H63B,H63C), C64(H64A,H64B,H64C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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
Gd1 Gd 0.656158(14) 0.131156(13) 0.370713(13) 0.01020(7) Uani 1 1 d . . .
Gd2 Gd 1.160749(14) 0.293031(13) 0.531544(13) 0.00977(7) Uani 1 1 d . . .
O1S O 0.7879(2) 0.2488(2) 0.7507(2) 0.0376(10) Uani 1 1 d . . .
O2S O 0.5529(3) 0.3904(3) 0.7401(2) 0.0476(11) Uani 1 1 d . . .
O3S O 0.5292(3) -0.2307(3) 0.0312(3) 0.0562(12) Uani 1 1 d . . .
O4S O 0.8507(3) 0.1178(3) 0.0778(2) 0.0497(11) Uani 1 1 d . . .
N1 N 0.7305(2) 0.0458(2) 0.2705(2) 0.0136(9) Uani 1 1 d . . .
N2 N 0.8180(2) 0.1816(2) 0.4232(2) 0.0109(8) Uani 1 1 d . . .
N3 N 0.7220(2) 0.2584(2) 0.5171(2) 0.0129(8) Uani 1 1 d . . .
N4 N 1.0982(2) 0.2192(2) 0.3749(2) 0.0127(8) Uani 1 1 d . . .
N5 N 0.9986(2) 0.2377(2) 0.4798(2) 0.0120(8) Uani 1 1 d . . .
N6 N 1.0830(2) 0.3198(2) 0.6452(2) 0.0119(8) Uani 1 1 d . . .
C1 C 0.6843(3) -0.0293(3) 0.1988(3) 0.0166(11) Uani 1 1 d . . .
H1 H 0.6230 -0.0437 0.1828 0.020 Uiso 1 1 calc R . .
C1S C 0.7853(4) 0.1700(3) 0.7530(3) 0.0327(14) Uani 1 1 d . . .
H1SA H 0.8304 0.1475 0.7295 0.039 Uiso 1 1 calc R . .
H1SB H 0.7280 0.1252 0.7193 0.039 Uiso 1 1 calc R . .
C2 C 0.7214(3) -0.0864(3) 0.1474(3) 0.0194(11) Uani 1 1 d . . .
H2 H 0.6866 -0.1371 0.0964 0.023 Uiso 1 1 calc R . .
C2S C 0.8016(4) 0.1911(4) 0.8450(3) 0.0463(16) Uani 1 1 d . . .
H2SA H 0.7705 0.1405 0.8507 0.056 Uiso 1 1 calc R . .
H2SB H 0.8643 0.2094 0.8728 0.056 Uiso 1 1 calc R . .
C3 C 0.8103(3) -0.0678(3) 0.1722(3) 0.0194(11) Uani 1 1 d . . .
H3 H 0.8377 -0.1064 0.1397 0.023 Uiso 1 1 calc R . .
C3S C 0.7654(4) 0.2657(4) 0.8814(4) 0.0467(16) Uani 1 1 d . . .
H3SA H 0.7917 0.3023 0.9432 0.056 Uiso 1 1 calc R . .
H3SB H 0.7016 0.2444 0.8693 0.056 Uiso 1 1 calc R . .
C4 C 0.8580(3) 0.0081(3) 0.2453(3) 0.0148(10) Uani 1 1 d . . .
H4 H 0.9190 0.0214 0.2640 0.018 Uiso 1 1 calc R . .
C4S C 0.7928(4) 0.3147(4) 0.8339(4) 0.0403(15) Uani 1 1 d . . .
H4SA H 0.7534 0.3481 0.8300 0.048 Uiso 1 1 calc R . .
H4SB H 0.8526 0.3557 0.8630 0.048 Uiso 1 1 calc R . .
C5 C 0.8180(3) 0.0657(3) 0.2920(3) 0.0131(10) Uani 1 1 d . . .
C5S C 0.5512(4) 0.3179(4) 0.7547(3) 0.0418(16) Uani 1 1 d . . .
H5SA H 0.6072 0.3063 0.7544 0.050 Uiso 1 1 calc R . .
H5SB H 0.5045 0.2650 0.7100 0.050 Uiso 1 1 calc R . .
C6 C 0.8659(3) 0.1469(3) 0.3702(3) 0.0111(10) Uani 1 1 d . . .
C6S C 0.5346(4) 0.3415(4) 0.8416(3) 0.0396(15) Uani 1 1 d . . .
H6SA H 0.4831 0.2971 0.8371 0.047 Uiso 1 1 calc R . .
H6SB H 0.5854 0.3467 0.8824 0.047 Uiso 1 1 calc R . .
C7 C 0.9568(3) 0.1896(3) 0.3955(3) 0.0129(10) Uani 1 1 d . . .
C7S C 0.5193(3) 0.4292(3) 0.8678(3) 0.0324(14) Uani 1 1 d . . .
H7SA H 0.4568 0.4215 0.8508 0.039 Uiso 1 1 calc R . .
H7SB H 0.5426 0.4677 0.9297 0.039 Uiso 1 1 calc R . .
C8 C 0.9492(3) 0.2574(3) 0.5357(3) 0.0124(10) Uani 1 1 d . . .
C8S C 0.5681(4) 0.4652(4) 0.8207(4) 0.0413(15) Uani 1 1 d . . .
H8SA H 0.5458 0.5095 0.8137 0.050 Uiso 1 1 calc R . .
H8SB H 0.6307 0.4922 0.8507 0.050 Uiso 1 1 calc R . .
C9 C 0.8605(3) 0.2434(3) 0.5037(3) 0.0105(10) Uani 1 1 d . . .
C9S C 0.5300(4) -0.3138(4) -0.0305(4) 0.063(2) Uani 1 1 d . . .
H9SA H 0.5167 -0.3573 -0.0104 0.076 Uiso 1 1 calc R . .
H9SB H 0.5878 -0.3089 -0.0409 0.076 Uiso 1 1 calc R . .
C10 C 0.8086(3) 0.2940(3) 0.5511(3) 0.0120(10) Uani 1 1 d . . .
C10S C 0.4634(4) -0.3407(4) -0.1088(4) 0.061(2) Uani 1 1 d . . .
H10A H 0.4873 -0.3609 -0.1580 0.073 Uiso 1 1 calc R . .
H10B H 0.4128 -0.3890 -0.1183 0.073 Uiso 1 1 calc R . .
C11 C 0.8462(3) 0.3756(3) 0.6239(3) 0.0156(11) Uani 1 1 d . . .
H11 H 0.9075 0.4012 0.6448 0.019 Uiso 1 1 calc R . .
C11S C 0.4387(7) -0.2673(5) -0.0986(5) 0.153(6) Uani 1 1 d . . .
H11A H 0.3751 -0.2814 -0.1089 0.184 Uiso 1 1 calc R . .
H11B H 0.4562 -0.2476 -0.1388 0.184 Uiso 1 1 calc R . .
C12 C 0.7932(3) 0.4185(3) 0.6650(3) 0.0204(11) Uani 1 1 d . . .
H12 H 0.8176 0.4732 0.7150 0.024 Uiso 1 1 calc R . .
C12S C 0.4845(7) -0.1971(6) -0.0085(5) 0.147(5) Uani 1 1 d . . .
H12A H 0.5248 -0.1465 -0.0079 0.176 Uiso 1 1 calc R . .
H12B H 0.4417 -0.1769 0.0211 0.176 Uiso 1 1 calc R . .
C13 C 0.7048(3) 0.3811(3) 0.6324(3) 0.0191(11) Uani 1 1 d . . .
H13 H 0.6670 0.4085 0.6602 0.023 Uiso 1 1 calc R . .
C13S C 0.7920(4) 0.0349(4) 0.0225(4) 0.0549(18) Uani 1 1 d . . .
H13A H 0.7651 0.0086 0.0547 0.066 Uiso 1 1 calc R . .
H13B H 0.8222 -0.0034 -0.0112 0.066 Uiso 1 1 calc R . .
C14 C 0.6723(3) 0.3027(3) 0.5586(3) 0.0149(11) Uani 1 1 d . . .
H14 H 0.6112 0.2782 0.5354 0.018 Uiso 1 1 calc R . .
C14S C 0.7236(4) 0.0442(4) -0.0347(4) 0.060(2) Uani 1 1 d . . .
H14A H 0.6649 0.0097 -0.0401 0.072 Uiso 1 1 calc R . .
H14B H 0.7327 0.0252 -0.0916 0.072 Uiso 1 1 calc R . .
C15 C 1.1504(3) 0.2235(3) 0.3255(3) 0.0162(11) Uani 1 1 d . . .
H15 H 1.2112 0.2420 0.3497 0.019 Uiso 1 1 calc R . .
C15S C 0.7363(4) 0.1417(5) 0.0100(4) 0.0525(19) Uani 1 1 d . . .
H15A H 0.7202 0.1625 -0.0308 0.063 Uiso 1 1 calc R . .
H15B H 0.7023 0.1564 0.0517 0.063 Uiso 1 1 calc R . .
C16 C 1.1210(3) 0.2025(3) 0.2415(3) 0.0178(11) Uani 1 1 d . . .
H16 H 1.1605 0.2055 0.2089 0.021 Uiso 1 1 calc R . .
C16S C 0.8317(4) 0.1785(4) 0.0524(4) 0.0439(16) Uani 1 1 d . . .
H16A H 0.8647 0.1837 0.0127 0.053 Uiso 1 1 calc R . .
H16B H 0.8465 0.2368 0.1020 0.053 Uiso 1 1 calc R . .
C17 C 1.0329(3) 0.1772(3) 0.2065(3) 0.0197(11) Uani 1 1 d . . .
H17 H 1.0106 0.1641 0.1496 0.024 Uiso 1 1 calc R . .
C18 C 0.9774(3) 0.1712(3) 0.2553(3) 0.0157(11) Uani 1 1 d . . .
H18 H 0.9165 0.1540 0.2321 0.019 Uiso 1 1 calc R . .
C19 C 1.0111(3) 0.1907(3) 0.3387(3) 0.0120(10) Uani 1 1 d . . .
C20 C 1.1265(3) 0.3510(3) 0.7263(3) 0.0138(10) Uani 1 1 d . . .
H20 H 1.1879 0.3737 0.7417 0.017 Uiso 1 1 calc R . .
C21 C 1.0877(3) 0.3524(3) 0.7887(3) 0.0179(11) Uani 1 1 d . . .
H21 H 1.1211 0.3771 0.8457 0.022 Uiso 1 1 calc R . .
C22 C 0.9989(3) 0.3167(3) 0.7655(3) 0.0185(11) Uani 1 1 d . . .
H22 H 0.9700 0.3145 0.8063 0.022 Uiso 1 1 calc R . .
C23 C 0.9521(3) 0.2842(3) 0.6831(3) 0.0157(11) Uani 1 1 d . . .
H23 H 0.8909 0.2584 0.6664 0.019 Uiso 1 1 calc R . .
C24 C 0.9956(3) 0.2897(3) 0.6240(3) 0.0120(10) Uani 1 1 d . . .
C25 C 0.6773(3) 0.2108(3) 0.2740(3) 0.0155(11) Uani 1 1 d . . .
C26 C 0.5977(3) 0.1428(3) 0.2268(3) 0.0213(12) Uani 1 1 d . . .
C27 C 0.5361(3) 0.1625(3) 0.2733(3) 0.0193(11) Uani 1 1 d . . .
C28 C 0.5778(3) 0.2432(3) 0.3480(3) 0.0166(11) Uani 1 1 d . . .
C29 C 0.6649(3) 0.2724(3) 0.3484(3) 0.0165(11) Uani 1 1 d . . .
C30 C 0.7593(3) 0.2225(3) 0.2468(3) 0.0284(13) Uani 1 1 d . . .
H30A H 0.8096 0.2442 0.2952 0.043 Uiso 1 1 calc R . .
H30B H 0.7635 0.2645 0.2253 0.043 Uiso 1 1 calc R . .
H30C H 0.7581 0.1663 0.2021 0.043 Uiso 1 1 calc R . .
C31 C 0.5744(4) 0.0718(3) 0.1377(3) 0.0295(13) Uani 1 1 d . . .
H31A H 0.6263 0.0571 0.1251 0.044 Uiso 1 1 calc R . .
H31B H 0.5510 0.0917 0.0992 0.044 Uiso 1 1 calc R . .
H31C H 0.5307 0.0202 0.1304 0.044 Uiso 1 1 calc R . .
C32 C 0.4405(3) 0.1166(3) 0.2395(3) 0.0322(14) Uani 1 1 d . . .
H32A H 0.4160 0.1319 0.1975 0.048 Uiso 1 1 calc R . .
H32B H 0.4134 0.1343 0.2859 0.048 Uiso 1 1 calc R . .
H32C H 0.4293 0.0534 0.2129 0.048 Uiso 1 1 calc R . .
C33 C 0.5319(3) 0.2963(3) 0.4058(3) 0.0274(13) Uani 1 1 d . . .
H33A H 0.4937 0.2595 0.4223 0.041 Uiso 1 1 calc R . .
H33B H 0.4974 0.3184 0.3762 0.041 Uiso 1 1 calc R . .
H33C H 0.5749 0.3456 0.4565 0.041 Uiso 1 1 calc R . .
C34 C 0.7329(3) 0.3589(3) 0.4115(3) 0.0254(12) Uani 1 1 d . . .
H34A H 0.7169 0.3828 0.4645 0.038 Uiso 1 1 calc R . .
H34B H 0.7366 0.3998 0.3886 0.038 Uiso 1 1 calc R . .
H34C H 0.7893 0.3502 0.4221 0.038 Uiso 1 1 calc R . .
C35 C 0.5906(3) 0.0790(3) 0.4777(3) 0.0155(11) Uani 1 1 d . . .
C36 C 0.5229(3) 0.0416(3) 0.4034(3) 0.0176(11) Uani 1 1 d . . .
C37 C 0.5451(3) -0.0233(3) 0.3371(3) 0.0168(11) Uani 1 1 d . . .
C38 C 0.6265(3) -0.0247(3) 0.3727(3) 0.0167(11) Uani 1 1 d . . .
C39 C 0.6567(3) 0.0404(3) 0.4587(3) 0.0178(11) Uani 1 1 d . . .
C40 C 0.5852(3) 0.1350(3) 0.5644(3) 0.0261(13) Uani 1 1 d . . .
H40A H 0.6436 0.1718 0.6016 0.039 Uiso 1 1 calc R . .
H40B H 0.5580 0.0979 0.5867 0.039 Uiso 1 1 calc R . .
H40C H 0.5503 0.1721 0.5617 0.039 Uiso 1 1 calc R . .
C41 C 0.4364(3) 0.0559(3) 0.3983(3) 0.0271(13) Uani 1 1 d . . .
H41A H 0.4441 0.1173 0.4144 0.041 Uiso 1 1 calc R . .
H41B H 0.4096 0.0409 0.4369 0.041 Uiso 1 1 calc R . .
H41C H 0.3989 0.0189 0.3403 0.041 Uiso 1 1 calc R . .
C42 C 0.4834(3) -0.0893(3) 0.2506(3) 0.0250(12) Uani 1 1 d . . .
H42A H 0.4640 -0.0585 0.2216 0.037 Uiso 1 1 calc R . .
H42B H 0.4331 -0.1246 0.2572 0.037 Uiso 1 1 calc R . .
H42C H 0.5133 -0.1273 0.2172 0.037 Uiso 1 1 calc R . .
C43 C 0.6706(3) -0.0911(3) 0.3343(3) 0.0249(12) Uani 1 1 d . . .
H43A H 0.6397 -0.1294 0.2743 0.037 Uiso 1 1 calc R . .
H43B H 0.6703 -0.1260 0.3637 0.037 Uiso 1 1 calc R . .
H43C H 0.7306 -0.0612 0.3399 0.037 Uiso 1 1 calc R . .
C44 C 0.7393(3) 0.0578(3) 0.5200(3) 0.0274(13) Uani 1 1 d . . .
H44A H 0.7871 0.0608 0.4941 0.041 Uiso 1 1 calc R . .
H44B H 0.7330 0.0106 0.5348 0.041 Uiso 1 1 calc R . .
H44C H 0.7517 0.1133 0.5712 0.041 Uiso 1 1 calc R . .
C45 C 1.2525(3) 0.4235(3) 0.5042(3) 0.0141(10) Uani 1 1 d . . .
C46 C 1.1667(3) 0.4255(3) 0.4942(3) 0.0151(11) Uani 1 1 d . . .
C47 C 1.1504(3) 0.4544(3) 0.5743(3) 0.0137(10) Uani 1 1 d . . .
C48 C 1.2264(3) 0.4707(3) 0.6337(3) 0.0125(10) Uani 1 1 d . . .
C49 C 1.2900(3) 0.4515(3) 0.5909(3) 0.0144(11) Uani 1 1 d . . .
C50 C 1.3046(3) 0.4146(3) 0.4405(3) 0.0250(12) Uani 1 1 d . . .
H50A H 1.3382 0.3757 0.4402 0.037 Uiso 1 1 calc R . .
H50B H 1.3441 0.4721 0.4561 0.037 Uiso 1 1 calc R . .
H50C H 1.2651 0.3902 0.3841 0.037 Uiso 1 1 calc R . .
C51 C 1.1059(3) 0.4135(3) 0.4160(3) 0.0236(12) Uani 1 1 d . . .
H51A H 1.1245 0.3818 0.3662 0.035 Uiso 1 1 calc R . .
H51B H 1.1068 0.4707 0.4218 0.035 Uiso 1 1 calc R . .
H51C H 1.0469 0.3801 0.4095 0.035 Uiso 1 1 calc R . .
C52 C 1.0703(3) 0.4763(3) 0.5933(3) 0.0223(12) Uani 1 1 d . . .
H52A H 1.0196 0.4348 0.5456 0.033 Uiso 1 1 calc R . .
H52B H 1.0762 0.5356 0.6025 0.033 Uiso 1 1 calc R . .
H52C H 1.0630 0.4728 0.6443 0.033 Uiso 1 1 calc R . .
C53 C 1.2462(3) 0.5213(3) 0.7291(3) 0.0196(11) Uani 1 1 d . . .
H53A H 1.1922 0.5129 0.7455 0.029 Uiso 1 1 calc R . .
H53B H 1.2735 0.5835 0.7483 0.029 Uiso 1 1 calc R . .
H53C H 1.2857 0.5002 0.7552 0.029 Uiso 1 1 calc R . .
C54 C 1.3852(3) 0.4786(3) 0.6343(3) 0.0246(12) Uani 1 1 d . . .
H54A H 1.4152 0.4521 0.5923 0.037 Uiso 1 1 calc R . .
H54B H 1.3921 0.4589 0.6768 0.037 Uiso 1 1 calc R . .
H54C H 1.4101 0.5423 0.6618 0.037 Uiso 1 1 calc R . .
C55 C 1.2581(3) 0.2362(3) 0.6149(3) 0.0163(11) Uani 1 1 d . . .
C56 C 1.1743(3) 0.1742(3) 0.5853(3) 0.0160(11) Uani 1 1 d . . .
C57 C 1.1537(3) 0.1268(3) 0.4964(3) 0.0157(11) Uani 1 1 d . . .
C58 C 1.2260(3) 0.1563(3) 0.4709(3) 0.0137(10) Uani 1 1 d . . .
C59 C 1.2905(3) 0.2244(3) 0.5437(3) 0.0133(10) Uani 1 1 d . . .
C60 C 1.3114(3) 0.2957(3) 0.7054(3) 0.0222(12) Uani 1 1 d . . .
H60A H 1.3227 0.3566 0.7178 0.033 Uiso 1 1 calc R . .
H60B H 1.3665 0.2842 0.7141 0.033 Uiso 1 1 calc R . .
H60C H 1.2796 0.2849 0.7431 0.033 Uiso 1 1 calc R . .
C61 C 1.1204(3) 0.1512(3) 0.6375(3) 0.0228(12) Uani 1 1 d . . .
H61A H 1.1464 0.1943 0.6973 0.034 Uiso 1 1 calc R . .
H61B H 1.1187 0.0931 0.6297 0.034 Uiso 1 1 calc R . .
H61C H 1.0614 0.1512 0.6193 0.034 Uiso 1 1 calc R . .
C62 C 1.0734(3) 0.0507(3) 0.4385(3) 0.0232(12) Uani 1 1 d . . .
H62A H 1.0249 0.0574 0.4633 0.035 Uiso 1 1 calc R . .
H62B H 1.0835 -0.0037 0.4310 0.035 Uiso 1 1 calc R . .
H62C H 1.0594 0.0491 0.3834 0.035 Uiso 1 1 calc R . .
C63 C 1.2384(3) 0.1112(3) 0.3843(3) 0.0221(12) Uani 1 1 d . . .
H63A H 1.1833 0.0903 0.3413 0.033 Uiso 1 1 calc R . .
H63B H 1.2580 0.0616 0.3785 0.033 Uiso 1 1 calc R . .
H63C H 1.2820 0.1524 0.3765 0.033 Uiso 1 1 calc R . .
C64 C 1.3819(3) 0.2658(3) 0.5474(3) 0.0254(12) Uani 1 1 d . . .
H64A H 1.3814 0.2837 0.5034 0.038 Uiso 1 1 calc R . .
H64B H 1.4136 0.2238 0.5381 0.038 Uiso 1 1 calc R . .
H64C H 1.4105 0.3171 0.6030 0.038 Uiso 1 1 calc R . .
C65 C 1.1955(3) 0.3680(3) 1.0015(3) 0.0157(11) Uani 1 1 d . . .
C66 C 1.2490(3) 0.3328(3) 0.9519(3) 0.0175(11) Uani 1 1 d . . .
H66 H 1.2479 0.2748 0.9376 0.021 Uiso 1 1 calc R . .
C67 C 1.3030(3) 0.3780(3) 0.9229(3) 0.0234(12) Uani 1 1 d . . .
H67 H 1.3388 0.3516 0.8909 0.028 Uiso 1 1 calc R . .
C68 C 1.3050(3) 0.4621(3) 0.9407(3) 0.0253(12) Uani 1 1 d . . .
H68 H 1.3405 0.4929 0.9195 0.030 Uiso 1 1 calc R . .
C69 C 1.2549(3) 0.5001(3) 0.9895(3) 0.0255(12) Uani 1 1 d . . .
H69 H 1.2565 0.5580 1.0030 0.031 Uiso 1 1 calc R . .
C70 C 1.2015(3) 0.4538(3) 1.0194(3) 0.0218(12) Uani 1 1 d . . .
H70 H 1.1679 0.4817 1.0534 0.026 Uiso 1 1 calc R . .
C71 C 1.0716(3) 0.3569(3) 1.0837(3) 0.0180(11) Uani 1 1 d . . .
C72 C 1.0605(3) 0.3640(3) 1.1614(3) 0.0199(11) Uani 1 1 d . . .
H72 H 1.0945 0.3427 1.1897 0.024 Uiso 1 1 calc R . .
C73 C 1.0016(3) 0.4013(3) 1.1986(3) 0.0278(13) Uani 1 1 d . . .
H73 H 0.9957 0.4045 1.2509 0.033 Uiso 1 1 calc R . .
C74 C 0.9515(3) 0.4336(3) 1.1590(3) 0.0327(14) Uani 1 1 d . . .
H74 H 0.9122 0.4603 1.1846 0.039 Uiso 1 1 calc R . .
C75 C 0.9593(3) 0.4264(3) 1.0820(3) 0.0335(14) Uani 1 1 d . . .
H75 H 0.9252 0.4483 1.0544 0.040 Uiso 1 1 calc R . .
C76 C 1.0168(3) 0.3875(3) 1.0449(3) 0.0269(13) Uani 1 1 d . . .
H76 H 1.0193 0.3812 0.9908 0.032 Uiso 1 1 calc R . .
C77 C 1.2107(3) 0.2993(3) 1.1003(3) 0.0163(11) Uani 1 1 d . . .
C78 C 1.2338(3) 0.2232(3) 1.0786(3) 0.0235(12) Uani 1 1 d . . .
H78 H 1.2022 0.1728 1.0261 0.028 Uiso 1 1 calc R . .
C79 C 1.3009(4) 0.2188(4) 1.1309(3) 0.0336(14) Uani 1 1 d . . .
H79 H 1.3139 0.1658 1.1138 0.040 Uiso 1 1 calc R . .
C80 C 1.3490(4) 0.2904(4) 1.2071(3) 0.0332(14) Uani 1 1 d . . .
H80 H 1.3951 0.2874 1.2428 0.040 Uiso 1 1 calc R . .
C81 C 1.3287(3) 0.3669(3) 1.2307(3) 0.0275(13) Uani 1 1 d . . .
H81 H 1.3611 0.4170 1.2831 0.033 Uiso 1 1 calc R . .
C82 C 1.2613(3) 0.3704(3) 1.1782(3) 0.0204(11) Uani 1 1 d . . .
H82 H 1.2488 0.4238 1.1958 0.024 Uiso 1 1 calc R . .
C83 C 1.0741(3) 0.2150(3) 0.9585(3) 0.0195(11) Uani 1 1 d . . .
C84 C 1.0347(3) 0.1473(3) 0.9738(3) 0.0304(13) Uani 1 1 d . . .
H84 H 1.0471 0.1568 1.0303 0.036 Uiso 1 1 calc R . .
C85 C 0.9781(4) 0.0669(3) 0.9103(4) 0.0391(15) Uani 1 1 d . . .
H85 H 0.9534 0.0227 0.9238 0.047 Uiso 1 1 calc R . .
C86 C 0.9578(3) 0.0514(3) 0.8275(3) 0.0344(14) Uani 1 1 d . . .
H86 H 0.9199 -0.0036 0.7836 0.041 Uiso 1 1 calc R . .
C87 C 0.9931(3) 0.1167(3) 0.8093(3) 0.0274(13) Uani 1 1 d . . .
H87 H 0.9785 0.1074 0.7529 0.033 Uiso 1 1 calc R . .
C88 C 1.0499(3) 0.1960(3) 0.8736(3) 0.0213(12) Uani 1 1 d . . .
H88 H 1.0736 0.2399 0.8594 0.026 Uiso 1 1 calc R . .
B1 B 1.1373(4) 0.3095(3) 1.0365(3) 0.0171(13) Uani 1 1 d . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Gd1 N1 2.508(3) . ?
Gd1 N2 2.503(3) . ?
Gd1 N3 2.513(4) . ?
Gd1 C25 2.714(4) . ?
Gd1 C26 2.764(4) . ?
Gd1 C28 2.750(4) . ?
Gd1 C29 2.702(4) . ?
Gd1 C35 2.750(4) . ?
Gd1 C36 2.717(4) . ?
Gd1 C37 2.707(4) . ?
Gd1 C38 2.740(4) . ?
Gd1 C39 2.725(4) . ?
Gd2 N4 2.498(3) . ?
Gd2 N5 2.504(3) . ?
Gd2 N6 2.525(3) . ?
Gd2 C45 2.761(4) . ?
Gd2 C46 2.718(4) . ?
Gd2 C47 2.704(4) . ?
Gd2 C48 2.747(4) . ?
Gd2 C55 2.688(4) . ?
Gd2 C56 2.729(4) . ?
Gd2 C57 2.733(4) . ?
Gd2 C58 2.754(4) . ?
Gd2 C59 2.718(4) . ?
O1S C1S 1.419(6) . ?
O1S C4S 1.445(6) . ?
O2S C5S 1.427(7) . ?
O2S C8S 1.439(7) . ?
O3S C9S 1.435(7) . ?
O3S C12S 1.354(8) . ?
O4S C13S 1.393(7) . ?
O4S C16S 1.424(7) . ?
N1 C1 1.355(5) . ?
N1 C5 1.356(5) . ?
N2 C6 1.369(5) . ?
N2 C9 1.350(5) . ?
N3 C10 1.348(5) . ?
N3 C14 1.354(5) . ?
N4 C15 1.347(5) . ?
N4 C19 1.363(5) . ?
N5 C7 1.365(5) . ?
N5 C8 1.376(5) . ?
N6 C20 1.344(5) . ?
N6 C24 1.350(5) . ?
C1 H1 0.9500 . ?
C1 C2 1.388(6) . ?
C1S H1SA 0.9900 . ?
C1S H1SB 0.9900 . ?
C1S C2S 1.517(7) . ?
C2 H2 0.9500 . ?
C2 C3 1.383(6) . ?
C2S H2SA 0.9900 . ?
C2S H2SB 0.9900 . ?
C2S C3S 1.515(8) . ?
C3 H3 0.9500 . ?
C3 C4 1.378(6) . ?
C3S H3SA 0.9900 . ?
C3S H3SB 0.9900 . ?
C3S C4S 1.519(8) . ?
C4 H4 0.9500 . ?
C4 C5 1.394(6) . ?
C4S H4SA 0.9900 . ?
C4S H4SB 0.9900 . ?
C5 C6 1.465(6) . ?
C5S H5SA 0.9900 . ?
C5S H5SB 0.9900 . ?
C5S C6S 1.537(7) . ?
C6 C7 1.421(6) . ?
C6S H6SA 0.9900 . ?
C6S H6SB 0.9900 . ?
C6S C7S 1.526(7) . ?
C7 C19 1.469(6) . ?
C7S H7SA 0.9900 . ?
C7S H7SB 0.9900 . ?
C7S C8S 1.499(7) . ?
C8 C9 1.412(6) . ?
C8 C24 1.465(6) . ?
C8S H8SA 0.9900 . ?
C8S H8SB 0.9900 . ?
C9 C10 1.481(6) . ?
C9S H9SA 0.9900 . ?
C9S H9SB 0.9900 . ?
C9S C10S 1.475(8) . ?
C10 C11 1.404(6) . ?
C10S H10A 0.9900 . ?
C10S H10B 0.9900 . ?
C10S C11S 1.408(9) . ?
C11 H11 0.9500 . ?
C11 C12 1.384(6) . ?
C11S H11A 0.9900 . ?
C11S H11B 0.9900 . ?
C11S C12S 1.513(10) . ?
C12 H12 0.9500 . ?
C12 C13 1.374(6) . ?
C12S H12A 0.9900 . ?
C12S H12B 0.9900 . ?
C13 H13 0.9500 . ?
C13 C14 1.378(6) . ?
C13S H13A 0.9900 . ?
C13S H13B 0.9900 . ?
C13S C14S 1.504(9) . ?
C14 H14 0.9500 . ?
C14S H14A 0.9900 . ?
C14S H14B 0.9900 . ?
C14S C15S 1.525(9) . ?
C15 H15 0.9500 . ?
C15 C16 1.386(6) . ?
C15S H15A 0.9900 . ?
C15S H15B 0.9900 . ?
C15S C16S 1.498(8) . ?
C16 H16 0.9500 . ?
C16 C17 1.379(6) . ?
C16S H16A 0.9900 . ?
C16S H16B 0.9900 . ?
C17 H17 0.9500 . ?
C17 C18 1.386(6) . ?
C18 H18 0.9500 . ?
C18 C19 1.394(6) . ?
C20 H20 0.9500 . ?
C20 C21 1.378(6) . ?
C21 H21 0.9500 . ?
C21 C22 1.376(6) . ?
C22 H22 0.9500 . ?
C22 C23 1.375(6) . ?
C23 H23 0.9500 . ?
C23 C24 1.404(6) . ?
C25 C26 1.414(6) . ?
C25 C29 1.415(6) . ?
C25 C30 1.508(6) . ?
C26 C27 1.426(6) . ?
C26 C31 1.493(6) . ?
C27 C28 1.417(6) . ?
C27 C32 1.495(7) . ?
C28 C29 1.410(6) . ?
C28 C33 1.513(6) . ?
C29 C34 1.515(6) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 C36 1.401(6) . ?
C35 C39 1.423(6) . ?
C35 C40 1.496(6) . ?
C36 C37 1.437(6) . ?
C36 C41 1.499(6) . ?
C37 C38 1.410(6) . ?
C37 C42 1.518(6) . ?
C38 C39 1.416(6) . ?
C38 C43 1.502(6) . ?
C39 C44 1.502(6) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 C46 1.408(6) . ?
C45 C49 1.420(6) . ?
C45 C50 1.520(6) . ?
C46 C47 1.416(6) . ?
C46 C51 1.514(6) . ?
C47 C48 1.408(6) . ?
C47 C52 1.505(6) . ?
C48 C49 1.414(6) . ?
C48 C53 1.516(6) . ?
C49 C54 1.511(6) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 C56 1.418(6) . ?
C55 C59 1.426(6) . ?
C55 C60 1.507(6) . ?
C56 C57 1.410(6) . ?
C56 C61 1.512(6) . ?
C57 C58 1.416(6) . ?
C57 C62 1.506(6) . ?
C58 C59 1.412(6) . ?
C58 C63 1.505(6) . ?
C59 C64 1.501(6) . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C65 C66 1.411(6) . ?
C65 C70 1.403(6) . ?
C65 B1 1.651(7) . ?
C66 H66 0.9500 . ?
C66 C67 1.381(6) . ?
C67 H67 0.9500 . ?
C67 C68 1.388(7) . ?
C68 H68 0.9500 . ?
C68 C69 1.374(7) . ?
C69 H69 0.9500 . ?
C69 C70 1.400(6) . ?
C70 H70 0.9500 . ?
C71 C72 1.411(6) . ?
C71 C76 1.405(7) . ?
C71 B1 1.640(7) . ?
C72 H72 0.9500 . ?
C72 C73 1.394(6) . ?
C73 H73 0.9500 . ?
C73 C74 1.387(7) . ?
C74 H74 0.9500 . ?
C74 C75 1.381(7) . ?
C75 H75 0.9500 . ?
C75 C76 1.388(7) . ?
C76 H76 0.9500 . ?
C77 C78 1.405(6) . ?
C77 C82 1.399(6) . ?
C77 B1 1.645(7) . ?
C78 H78 0.9500 . ?
C78 C79 1.385(7) . ?
C79 H79 0.9500 . ?
C79 C80 1.377(7) . ?
C80 H80 0.9500 . ?
C80 C81 1.382(7) . ?
C81 H81 0.9500 . ?
C81 C82 1.385(7) . ?
C82 H82 0.9500 . ?
C83 C84 1.400(7) . ?
C83 C88 1.404(6) . ?
C83 B1 1.638(7) . ?
C84 H84 0.9500 . ?
C84 C85 1.391(7) . ?
C85 H85 0.9500 . ?
C85 C86 1.383(7) . ?
C86 H86 0.9500 . ?
C86 C87 1.377(7) . ?
C87 H87 0.9500 . ?
C87 C88 1.386(7) . ?
C88 H88 0.9500 . ?

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
N1 Gd1 N3 128.78(12) . . ?
N1 Gd1 C25 76.63(12) . . ?
N1 Gd1 C26 76.91(13) . . ?
N1 Gd1 C28 124.04(12) . . ?
N1 Gd1 C29 105.12(13) . . ?
N1 Gd1 C35 122.19(12) . . ?
N1 Gd1 C36 118.08(12) . . ?
N1 Gd1 C37 87.55(12) . . ?
N1 Gd1 C38 73.93(12) . . ?
N1 Gd1 C39 94.17(13) . . ?
N2 Gd1 N1 64.68(11) . . ?
N2 Gd1 N3 64.10(11) . . ?
N2 Gd1 C25 86.93(12) . . ?
N2 Gd1 C26 113.04(13) . . ?
N2 Gd1 C28 118.37(12) . . ?
N2 Gd1 C29 89.93(13) . . ?
N2 Gd1 C35 107.57(12) . . ?
N2 Gd1 C36 135.29(13) . . ?
N2 Gd1 C37 126.97(12) . . ?
N2 Gd1 C38 97.10(12) . . ?
N2 Gd1 C39 86.14(12) . . ?
N3 Gd1 C25 101.45(12) . . ?
N3 Gd1 C26 125.09(12) . . ?
N3 Gd1 C28 82.21(12) . . ?
N3 Gd1 C29 75.74(12) . . ?
N3 Gd1 C35 73.60(12) . . ?
N3 Gd1 C36 97.72(13) . . ?
N3 Gd1 C37 123.39(12) . . ?
N3 Gd1 C38 111.61(12) . . ?
N3 Gd1 C39 81.66(12) . . ?
C25 Gd1 C26 29.89(13) . . ?
C25 Gd1 C28 49.62(13) . . ?
C25 Gd1 C35 159.63(13) . . ?
C25 Gd1 C36 137.74(14) . . ?
C25 Gd1 C38 145.01(13) . . ?
C25 Gd1 C39 170.24(14) . . ?
C28 Gd1 C26 49.34(13) . . ?
C28 Gd1 C35 110.06(13) . . ?
C29 Gd1 C25 30.28(13) . . ?
C29 Gd1 C26 49.50(14) . . ?
C29 Gd1 C28 29.96(13) . . ?
C29 Gd1 C35 132.66(13) . . ?
C29 Gd1 C36 126.68(14) . . ?
C29 Gd1 C37 142.41(14) . . ?
C29 Gd1 C38 171.52(14) . . ?
C29 Gd1 C39 156.42(14) . . ?
C35 Gd1 C26 139.39(14) . . ?
C36 Gd1 C26 110.64(15) . . ?
C36 Gd1 C28 97.09(13) . . ?
C36 Gd1 C35 29.69(13) . . ?
C36 Gd1 C38 49.68(13) . . ?
C36 Gd1 C39 49.77(14) . . ?
C37 Gd1 C25 131.44(14) . . ?
C37 Gd1 C26 102.07(14) . . ?
C37 Gd1 C28 114.63(14) . . ?
C37 Gd1 C35 49.80(13) . . ?
C37 Gd1 C36 30.73(13) . . ?
C37 Gd1 C38 29.99(14) . . ?
C37 Gd1 C39 50.00(14) . . ?
C38 Gd1 C26 122.73(14) . . ?
C38 Gd1 C28 144.19(14) . . ?
C38 Gd1 C35 49.32(13) . . ?
C39 Gd1 C26 151.50(14) . . ?
C39 Gd1 C28 140.13(14) . . ?
C39 Gd1 C35 30.13(13) . . ?
C39 Gd1 C38 30.04(13) . . ?
N4 Gd2 N5 64.35(11) . . ?
N4 Gd2 N6 128.94(12) . . ?
N4 Gd2 C45 82.55(12) . . ?
N4 Gd2 C46 75.29(12) . . ?
N4 Gd2 C47 100.61(12) . . ?
N4 Gd2 C48 124.64(12) . . ?
N4 Gd2 C55 125.12(12) . . ?
N4 Gd2 C56 110.86(12) . . ?
N4 Gd2 C57 81.37(12) . . ?
N4 Gd2 C58 75.55(12) . . ?
N4 Gd2 C59 100.92(12) . . ?
N5 Gd2 N6 64.60(11) . . ?
N5 Gd2 C45 119.55(12) . . ?
N5 Gd2 C46 91.06(12) . . ?
N5 Gd2 C47 87.27(12) . . ?
N5 Gd2 C48 113.04(12) . . ?
N5 Gd2 C55 125.35(13) . . ?
N5 Gd2 C56 95.47(12) . . ?
N5 Gd2 C57 87.34(12) . . ?
N5 Gd2 C58 110.10(12) . . ?
N5 Gd2 C59 136.93(12) . . ?
N6 Gd2 C45 123.71(12) . . ?
N6 Gd2 C46 105.66(12) . . ?
N6 Gd2 C47 76.93(12) . . ?
N6 Gd2 C48 76.57(12) . . ?
N6 Gd2 C55 85.58(12) . . ?
N6 Gd2 C56 74.09(12) . . ?
N6 Gd2 C57 96.36(12) . . ?
N6 Gd2 C58 123.15(12) . . ?
N6 Gd2 C59 116.15(12) . . ?
C46 Gd2 C45 29.76(13) . . ?
C46 Gd2 C48 49.42(13) . . ?
C46 Gd2 C56 172.53(14) . . ?
C46 Gd2 C57 154.77(13) . . ?
C46 Gd2 C58 131.15(13) . . ?
C46 Gd2 C59 125.80(13) . . ?
C47 Gd2 C45 49.39(13) . . ?
C47 Gd2 C46 30.28(13) . . ?
C47 Gd2 C48 29.92(13) . . ?
C47 Gd2 C56 146.29(13) . . ?
C47 Gd2 C57 172.74(13) . . ?
C47 Gd2 C58 157.35(13) . . ?
C47 Gd2 C59 135.79(13) . . ?
C48 Gd2 C45 49.03(12) . . ?
C48 Gd2 C58 136.86(13) . . ?
C55 Gd2 C45 115.10(14) . . ?
C55 Gd2 C46 142.56(14) . . ?
C55 Gd2 C47 131.10(14) . . ?
C55 Gd2 C48 101.80(13) . . ?
C55 Gd2 C56 30.33(13) . . ?
C55 Gd2 C57 49.87(13) . . ?
C55 Gd2 C58 49.76(13) . . ?
C55 Gd2 C59 30.58(13) . . ?
C56 Gd2 C45 144.60(14) . . ?
C56 Gd2 C48 124.07(13) . . ?
C56 Gd2 C57 29.93(13) . . ?
C56 Gd2 C58 49.39(13) . . ?
C57 Gd2 C45 137.84(13) . . ?
C57 Gd2 C48 151.58(13) . . ?
C57 Gd2 C58 29.90(13) . . ?
C58 Gd2 C45 108.10(13) . . ?
C59 Gd2 C45 96.26(13) . . ?
C59 Gd2 C48 108.40(13) . . ?
C59 Gd2 C56 49.95(13) . . ?
C59 Gd2 C57 49.69(13) . . ?
C59 Gd2 C58 29.89(13) . . ?
C1S O1S C4S 108.9(4) . . ?
C5S O2S C8S 107.4(4) . . ?
C12S O3S C9S 109.0(5) . . ?
C13S O4S C16S 109.2(4) . . ?
C1 N1 Gd1 120.9(3) . . ?
C1 N1 C5 117.4(4) . . ?
C5 N1 Gd1 121.0(3) . . ?
C6 N2 Gd1 120.3(3) . . ?
C9 N2 Gd1 121.5(3) . . ?
C9 N2 C6 118.2(4) . . ?
C10 N3 Gd1 121.6(3) . . ?
C10 N3 C14 117.1(4) . . ?
C14 N3 Gd1 120.4(3) . . ?
C15 N4 Gd2 119.7(3) . . ?
C15 N4 C19 117.2(4) . . ?
C19 N4 Gd2 121.6(3) . . ?
C7 N5 Gd2 121.1(3) . . ?
C7 N5 C8 118.1(4) . . ?
C8 N5 Gd2 120.8(3) . . ?
C20 N6 Gd2 121.2(3) . . ?
C20 N6 C24 117.8(4) . . ?
C24 N6 Gd2 120.2(3) . . ?
N1 C1 H1 118.1 . . ?
N1 C1 C2 123.7(4) . . ?
C2 C1 H1 118.1 . . ?
O1S C1S H1SA 110.3 . . ?
O1S C1S H1SB 110.3 . . ?
O1S C1S C2S 106.9(4) . . ?
H1SA C1S H1SB 108.6 . . ?
C2S C1S H1SA 110.3 . . ?
C2S C1S H1SB 110.3 . . ?
C1 C2 H2 120.8 . . ?
C3 C2 C1 118.4(4) . . ?
C3 C2 H2 120.8 . . ?
C1S C2S H2SA 111.3 . . ?
C1S C2S H2SB 111.3 . . ?
H2SA C2S H2SB 109.2 . . ?
C3S C2S C1S 102.2(5) . . ?
C3S C2S H2SA 111.3 . . ?
C3S C2S H2SB 111.3 . . ?
C2 C3 H3 120.8 . . ?
C4 C3 C2 118.5(4) . . ?
C4 C3 H3 120.8 . . ?
C2S C3S H3SA 111.6 . . ?
C2S C3S H3SB 111.6 . . ?
C2S C3S C4S 100.9(4) . . ?
H3SA C3S H3SB 109.4 . . ?
C4S C3S H3SA 111.6 . . ?
C4S C3S H3SB 111.6 . . ?
C3 C4 H4 119.6 . . ?
C3 C4 C5 120.8(4) . . ?
C5 C4 H4 119.6 . . ?
O1S C4S C3S 105.8(4) . . ?
O1S C4S H4SA 110.6 . . ?
O1S C4S H4SB 110.6 . . ?
C3S C4S H4SA 110.6 . . ?
C3S C4S H4SB 110.6 . . ?
H4SA C4S H4SB 108.7 . . ?
N1 C5 C4 121.0(4) . . ?
N1 C5 C6 116.0(4) . . ?
C4 C5 C6 122.8(4) . . ?
O2S C5S H5SA 110.3 . . ?
O2S C5S H5SB 110.3 . . ?
O2S C5S C6S 107.3(4) . . ?
H5SA C5S H5SB 108.5 . . ?
C6S C5S H5SA 110.3 . . ?
C6S C5S H5SB 110.3 . . ?
N2 C6 C5 115.9(4) . . ?
N2 C6 C7 118.7(4) . . ?
C7 C6 C5 125.3(4) . . ?
C5S C6S H6SA 111.1 . . ?
C5S C6S H6SB 111.1 . . ?
H6SA C6S H6SB 109.1 . . ?
C7S C6S C5S 103.3(4) . . ?
C7S C6S H6SA 111.1 . . ?
C7S C6S H6SB 111.1 . . ?
N5 C7 C6 118.6(4) . . ?
N5 C7 C19 115.4(4) . . ?
C6 C7 C19 125.9(4) . . ?
C6S C7S H7SA 111.2 . . ?
C6S C7S H7SB 111.2 . . ?
H7SA C7S H7SB 109.1 . . ?
C8S C7S C6S 102.8(4) . . ?
C8S C7S H7SA 111.2 . . ?
C8S C7S H7SB 111.2 . . ?
N5 C8 C9 118.4(4) . . ?
N5 C8 C24 114.9(4) . . ?
C9 C8 C24 126.6(4) . . ?
O2S C8S C7S 104.2(4) . . ?
O2S C8S H8SA 110.9 . . ?
O2S C8S H8SB 110.9 . . ?
C7S C8S H8SA 110.9 . . ?
C7S C8S H8SB 110.9 . . ?
H8SA C8S H8SB 108.9 . . ?
N2 C9 C8 119.5(4) . . ?
N2 C9 C10 115.5(4) . . ?
C8 C9 C10 124.9(4) . . ?
O3S C9S H9SA 110.3 . . ?
O3S C9S H9SB 110.3 . . ?
O3S C9S C10S 107.1(5) . . ?
H9SA C9S H9SB 108.5 . . ?
C10S C9S H9SA 110.3 . . ?
C10S C9S H9SB 110.3 . . ?
N3 C10 C9 115.3(4) . . ?
N3 C10 C11 121.7(4) . . ?
C11 C10 C9 122.9(4) . . ?
C9S C10S H10A 110.3 . . ?
C9S C10S H10B 110.3 . . ?
H10A C10S H10B 108.6 . . ?
C11S C10S C9S 107.0(6) . . ?
C11S C10S H10A 110.3 . . ?
C11S C10S H10B 110.3 . . ?
C10 C11 H11 120.3 . . ?
C12 C11 C10 119.4(4) . . ?
C12 C11 H11 120.3 . . ?
C10S C11S H11A 110.5 . . ?
C10S C11S H11B 110.5 . . ?
C10S C11S C12S 106.4(6) . . ?
H11A C11S H11B 108.6 . . ?
C12S C11S H11A 110.5 . . ?
C12S C11S H11B 110.5 . . ?
C11 C12 H12 120.4 . . ?
C13 C12 C11 119.2(4) . . ?
C13 C12 H12 120.4 . . ?
O3S C12S C11S 108.5(6) . . ?
O3S C12S H12A 110.0 . . ?
O3S C12S H12B 110.0 . . ?
C11S C12S H12A 110.0 . . ?
C11S C12S H12B 110.0 . . ?
H12A C12S H12B 108.4 . . ?
C12 C13 H13 120.8 . . ?
C12 C13 C14 118.4(4) . . ?
C14 C13 H13 120.8 . . ?
O4S C13S H13A 110.1 . . ?
O4S C13S H13B 110.1 . . ?
O4S C13S C14S 107.9(5) . . ?
H13A C13S H13B 108.4 . . ?
C14S C13S H13A 110.1 . . ?
C14S C13S H13B 110.1 . . ?
N3 C14 C13 124.1(4) . . ?
N3 C14 H14 117.9 . . ?
C13 C14 H14 117.9 . . ?
C13S C14S H14A 111.1 . . ?
C13S C14S H14B 111.1 . . ?
C13S C14S C15S 103.3(5) . . ?
H14A C14S H14B 109.1 . . ?
C15S C14S H14A 111.1 . . ?
C15S C14S H14B 111.1 . . ?
N4 C15 H15 117.9 . . ?
N4 C15 C16 124.2(4) . . ?
C16 C15 H15 117.9 . . ?
C14S C15S H15A 111.5 . . ?
C14S C15S H15B 111.5 . . ?
H15A C15S H15B 109.4 . . ?
C16S C15S C14S 101.1(5) . . ?
C16S C15S H15A 111.5 . . ?
C16S C15S H15B 111.5 . . ?
C15 C16 H16 120.9 . . ?
C17 C16 C15 118.1(4) . . ?
C17 C16 H16 120.9 . . ?
O4S C16S C15S 105.0(5) . . ?
O4S C16S H16A 110.7 . . ?
O4S C16S H16B 110.7 . . ?
C15S C16S H16A 110.7 . . ?
C15S C16S H16B 110.7 . . ?
H16A C16S H16B 108.8 . . ?
C16 C17 H17 120.4 . . ?
C16 C17 C18 119.2(4) . . ?
C18 C17 H17 120.4 . . ?
C17 C18 H18 120.1 . . ?
C17 C18 C19 119.8(4) . . ?
C19 C18 H18 120.1 . . ?
N4 C19 C7 115.4(4) . . ?
N4 C19 C18 121.5(4) . . ?
C18 C19 C7 122.9(4) . . ?
N6 C20 H20 117.9 . . ?
N6 C20 C21 124.3(4) . . ?
C21 C20 H20 117.9 . . ?
C20 C21 H21 121.2 . . ?
C22 C21 C20 117.5(4) . . ?
C22 C21 H21 121.2 . . ?
C21 C22 H22 120.0 . . ?
C23 C22 C21 119.9(4) . . ?
C23 C22 H22 120.0 . . ?
C22 C23 H23 120.3 . . ?
C22 C23 C24 119.3(4) . . ?
C24 C23 H23 120.3 . . ?
N6 C24 C8 117.0(4) . . ?
N6 C24 C23 120.9(4) . . ?
C23 C24 C8 121.9(4) . . ?
C26 C25 Gd1 77.0(3) . . ?
C26 C25 C29 108.1(4) . . ?
C26 C25 C30 126.8(4) . . ?
C29 C25 Gd1 74.4(2) . . ?
C29 C25 C30 124.8(4) . . ?
C30 C25 Gd1 119.8(3) . . ?
C25 C26 Gd1 73.1(3) . . ?
C25 C26 C27 107.6(4) . . ?
C25 C26 C31 127.7(4) . . ?
C27 C26 Gd1 75.3(3) . . ?
C27 C26 C31 123.8(5) . . ?
C31 C26 Gd1 126.2(3) . . ?
C26 C27 Gd1 74.9(3) . . ?
C26 C27 C32 125.0(4) . . ?
C28 C27 Gd1 74.4(3) . . ?
C28 C27 C26 108.1(4) . . ?
C28 C27 C32 125.6(4) . . ?
C32 C27 Gd1 127.2(3) . . ?
C27 C28 Gd1 75.9(3) . . ?
C27 C28 C33 124.9(4) . . ?
C29 C28 Gd1 73.2(2) . . ?
C29 C28 C27 107.7(4) . . ?
C29 C28 C33 126.2(4) . . ?
C33 C28 Gd1 126.6(3) . . ?
C25 C29 Gd1 75.3(2) . . ?
C25 C29 C34 124.0(4) . . ?
C28 C29 Gd1 76.9(2) . . ?
C28 C29 C25 108.5(4) . . ?
C28 C29 C34 127.2(4) . . ?
C34 C29 Gd1 119.2(3) . . ?
C25 C30 H30A 109.5 . . ?
C25 C30 H30B 109.5 . . ?
C25 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C26 C31 H31A 109.5 . . ?
C26 C31 H31B 109.5 . . ?
C26 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C27 C32 H32A 109.5 . . ?
C27 C32 H32B 109.5 . . ?
C27 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C28 C33 H33A 109.5 . . ?
C28 C33 H33B 109.5 . . ?
C28 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C29 C34 H34A 109.5 . . ?
C29 C34 H34B 109.5 . . ?
C29 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C36 C35 Gd1 73.8(2) . . ?
C36 C35 C39 108.4(4) . . ?
C36 C35 C40 124.7(4) . . ?
C39 C35 Gd1 74.0(2) . . ?
C39 C35 C40 125.7(4) . . ?
C40 C35 Gd1 128.1(3) . . ?
C35 C36 Gd1 76.5(3) . . ?
C35 C36 C37 108.1(4) . . ?
C35 C36 C41 125.3(4) . . ?
C37 C36 Gd1 74.3(2) . . ?
C37 C36 C41 125.8(4) . . ?
C41 C36 Gd1 123.5(3) . . ?
C36 C37 Gd1 75.0(2) . . ?
C36 C37 C42 124.9(4) . . ?
C38 C37 Gd1 76.3(2) . . ?
C38 C37 C36 107.2(4) . . ?
C38 C37 C42 126.8(4) . . ?
C42 C37 Gd1 123.8(3) . . ?
C37 C38 Gd1 73.7(2) . . ?
C37 C38 C39 108.7(4) . . ?
C37 C38 C43 127.9(4) . . ?
C39 C38 Gd1 74.4(2) . . ?
C39 C38 C43 122.7(4) . . ?
C43 C38 Gd1 125.4(3) . . ?
C35 C39 Gd1 75.9(2) . . ?
C35 C39 C44 126.7(4) . . ?
C38 C39 Gd1 75.5(2) . . ?
C38 C39 C35 107.5(4) . . ?
C38 C39 C44 125.5(4) . . ?
C44 C39 Gd1 119.6(3) . . ?
C35 C40 H40A 109.5 . . ?
C35 C40 H40B 109.5 . . ?
C35 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C36 C41 H41A 109.5 . . ?
C36 C41 H41B 109.5 . . ?
C36 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C37 C42 H42A 109.5 . . ?
C37 C42 H42B 109.5 . . ?
C37 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C38 C43 H43A 109.5 . . ?
C38 C43 H43B 109.5 . . ?
C38 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C39 C44 H44A 109.5 . . ?
C39 C44 H44B 109.5 . . ?
C39 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C46 C45 Gd2 73.4(2) . . ?
C46 C45 C49 108.2(4) . . ?
C46 C45 C50 126.7(4) . . ?
C49 C45 Gd2 76.0(2) . . ?
C49 C45 C50 123.6(4) . . ?
C50 C45 Gd2 127.6(3) . . ?
C45 C46 Gd2 76.8(2) . . ?
C45 C46 C47 108.0(4) . . ?
C45 C46 C51 127.1(4) . . ?
C47 C46 Gd2 74.3(2) . . ?
C47 C46 C51 124.3(4) . . ?
C51 C46 Gd2 122.2(3) . . ?
C46 C47 Gd2 75.4(2) . . ?
C46 C47 C52 124.9(4) . . ?
C48 C47 Gd2 76.7(2) . . ?
C48 C47 C46 108.0(4) . . ?
C48 C47 C52 126.5(4) . . ?
C52 C47 Gd2 120.9(3) . . ?
C47 C48 Gd2 73.4(2) . . ?
C47 C48 C49 108.3(4) . . ?
C47 C48 C53 126.3(4) . . ?
C49 C48 Gd2 76.6(2) . . ?
C49 C48 C53 123.7(4) . . ?
C53 C48 Gd2 128.0(3) . . ?
C45 C49 Gd2 74.3(2) . . ?
C45 C49 C54 126.5(4) . . ?
C48 C49 Gd2 73.8(2) . . ?
C48 C49 C45 107.5(4) . . ?
C48 C49 C54 124.3(4) . . ?
C54 C49 Gd2 129.2(3) . . ?
C45 C50 H50A 109.5 . . ?
C45 C50 H50B 109.5 . . ?
C45 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C46 C51 H51A 109.5 . . ?
C46 C51 H51B 109.5 . . ?
C46 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C47 C52 H52A 109.5 . . ?
C47 C52 H52B 109.5 . . ?
C47 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C48 C53 H53A 109.5 . . ?
C48 C53 H53B 109.5 . . ?
C48 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C49 C54 H54A 109.5 . . ?
C49 C54 H54B 109.5 . . ?
C49 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C56 C55 Gd2 76.5(3) . . ?
C56 C55 C59 108.0(4) . . ?
C56 C55 C60 127.4(4) . . ?
C59 C55 Gd2 75.9(2) . . ?
C59 C55 C60 124.0(4) . . ?
C60 C55 Gd2 120.8(3) . . ?
C55 C56 Gd2 73.2(2) . . ?
C55 C56 C61 127.4(4) . . ?
C57 C56 Gd2 75.2(2) . . ?
C57 C56 C55 107.9(4) . . ?
C57 C56 C61 124.1(4) . . ?
C61 C56 Gd2 124.6(3) . . ?
C56 C57 Gd2 74.9(2) . . ?
C56 C57 C58 108.3(4) . . ?
C56 C57 C62 126.4(4) . . ?
C58 C57 Gd2 75.8(2) . . ?
C58 C57 C62 125.0(4) . . ?
C62 C57 Gd2 120.8(3) . . ?
C57 C58 Gd2 74.3(2) . . ?
C57 C58 C63 125.3(4) . . ?
C59 C58 Gd2 73.7(2) . . ?
C59 C58 C57 108.2(4) . . ?
C59 C58 C63 125.5(4) . . ?
C63 C58 Gd2 127.1(3) . . ?
C55 C59 Gd2 73.5(2) . . ?
C55 C59 C64 125.6(4) . . ?
C58 C59 Gd2 76.4(2) . . ?
C58 C59 C55 107.6(4) . . ?
C58 C59 C64 125.9(4) . . ?
C64 C59 Gd2 123.9(3) . . ?
C55 C60 H60A 109.5 . . ?
C55 C60 H60B 109.5 . . ?
C55 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C56 C61 H61A 109.5 . . ?
C56 C61 H61B 109.5 . . ?
C56 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C57 C62 H62A 109.5 . . ?
C57 C62 H62B 109.5 . . ?
C57 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C58 C63 H63A 109.5 . . ?
C58 C63 H63B 109.5 . . ?
C58 C63 H63C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C59 C64 H64A 109.5 . . ?
C59 C64 H64B 109.5 . . ?
C59 C64 H64C 109.5 . . ?
H64A C64 H64B 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C66 C65 B1 119.2(4) . . ?
C70 C65 C66 114.2(4) . . ?
C70 C65 B1 126.4(4) . . ?
C65 C66 H66 118.2 . . ?
C67 C66 C65 123.5(4) . . ?
C67 C66 H66 118.2 . . ?
C66 C67 H67 120.0 . . ?
C66 C67 C68 120.0(5) . . ?
C68 C67 H67 120.0 . . ?
C67 C68 H68 120.5 . . ?
C69 C68 C67 119.1(5) . . ?
C69 C68 H68 120.5 . . ?
C68 C69 H69 119.9 . . ?
C68 C69 C70 120.2(5) . . ?
C70 C69 H69 119.9 . . ?
C65 C70 H70 118.5 . . ?
C69 C70 C65 122.9(5) . . ?
C69 C70 H70 118.5 . . ?
C72 C71 B1 123.7(4) . . ?
C76 C71 C72 115.0(4) . . ?
C76 C71 B1 121.1(4) . . ?
C71 C72 H72 118.7 . . ?
C73 C72 C71 122.7(5) . . ?
C73 C72 H72 118.7 . . ?
C72 C73 H73 120.1 . . ?
C74 C73 C72 119.9(5) . . ?
C74 C73 H73 120.1 . . ?
C73 C74 H74 120.4 . . ?
C75 C74 C73 119.3(5) . . ?
C75 C74 H74 120.4 . . ?
C74 C75 H75 119.9 . . ?
C74 C75 C76 120.3(5) . . ?
C76 C75 H75 119.9 . . ?
C71 C76 H76 118.6 . . ?
C75 C76 C71 122.8(5) . . ?
C75 C76 H76 118.6 . . ?
C78 C77 B1 123.7(4) . . ?
C82 C77 C78 114.8(4) . . ?
C82 C77 B1 121.2(4) . . ?
C77 C78 H78 118.8 . . ?
C79 C78 C77 122.4(5) . . ?
C79 C78 H78 118.8 . . ?
C78 C79 H79 119.6 . . ?
C80 C79 C78 120.9(5) . . ?
C80 C79 H79 119.6 . . ?
C79 C80 H80 120.7 . . ?
C79 C80 C81 118.6(5) . . ?
C81 C80 H80 120.7 . . ?
C80 C81 H81 119.9 . . ?
C80 C81 C82 120.1(5) . . ?
C82 C81 H81 119.9 . . ?
C77 C82 H82 118.4 . . ?
C81 C82 C77 123.2(5) . . ?
C81 C82 H82 118.4 . . ?
C84 C83 C88 114.4(4) . . ?
C84 C83 B1 120.8(4) . . ?
C88 C83 B1 124.6(4) . . ?
C83 C84 H84 118.4 . . ?
C85 C84 C83 123.2(5) . . ?
C85 C84 H84 118.4 . . ?
C84 C85 H85 120.1 . . ?
C86 C85 C84 119.8(5) . . ?
C86 C85 H85 120.1 . . ?
C85 C86 H86 120.3 . . ?
C87 C86 C85 119.3(5) . . ?
C87 C86 H86 120.3 . . ?
C86 C87 H87 120.1 . . ?
C86 C87 C88 119.8(5) . . ?
C88 C87 H87 120.1 . . ?
C83 C88 H88 118.3 . . ?
C87 C88 C83 123.5(5) . . ?
C87 C88 H88 118.3 . . ?
C71 B1 C65 111.9(4) . . ?
C71 B1 C77 113.1(4) . . ?
C77 B1 C65 103.6(4) . . ?
C83 B1 C65 111.2(4) . . ?
C83 B1 C71 105.1(4) . . ?
C83 B1 C77 112.2(4) . . ?

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
Gd1 N1 C1 C2 -169.8(3) . . . . ?
Gd1 N1 C5 C4 166.0(3) . . . . ?
Gd1 N1 C5 C6 -9.1(5) . . . . ?
Gd1 N2 C6 C5 -15.7(5) . . . . ?
Gd1 N2 C6 C7 166.2(3) . . . . ?
Gd1 N2 C9 C8 167.2(3) . . . . ?
Gd1 N2 C9 C10 -14.7(5) . . . . ?
Gd1 N3 C10 C9 -10.9(5) . . . . ?
Gd1 N3 C10 C11 165.8(3) . . . . ?
Gd1 N3 C14 C13 -169.0(3) . . . . ?
Gd1 C25 C26 C27 68.0(3) . . . . ?
Gd1 C25 C26 C31 -123.1(5) . . . . ?
Gd1 C25 C29 C28 -70.4(3) . . . . ?
Gd1 C25 C29 C34 115.6(4) . . . . ?
Gd1 C26 C27 C28 67.5(3) . . . . ?
Gd1 C26 C27 C32 -125.1(4) . . . . ?
Gd1 C27 C28 C29 66.8(3) . . . . ?
Gd1 C27 C28 C33 -125.0(4) . . . . ?
Gd1 C28 C29 C25 69.4(3) . . . . ?
Gd1 C28 C29 C34 -116.9(4) . . . . ?
Gd1 C35 C36 C37 68.2(3) . . . . ?
Gd1 C35 C36 C41 -121.6(4) . . . . ?
Gd1 C35 C39 C38 -69.5(3) . . . . ?
Gd1 C35 C39 C44 116.6(4) . . . . ?
Gd1 C36 C37 C38 70.1(3) . . . . ?
Gd1 C36 C37 C42 -121.0(4) . . . . ?
Gd1 C37 C38 C39 66.8(3) . . . . ?
Gd1 C37 C38 C43 -122.5(4) . . . . ?
Gd1 C38 C39 C35 69.8(3) . . . . ?
Gd1 C38 C39 C44 -116.3(4) . . . . ?
Gd2 N4 C15 C16 -164.9(3) . . . . ?
Gd2 N4 C19 C7 -12.1(5) . . . . ?
Gd2 N4 C19 C18 162.6(3) . . . . ?
Gd2 N5 C7 C6 168.9(3) . . . . ?
Gd2 N5 C7 C19 -14.0(5) . . . . ?
Gd2 N5 C8 C9 164.9(3) . . . . ?
Gd2 N5 C8 C24 -16.4(5) . . . . ?
Gd2 N6 C20 C21 -167.7(3) . . . . ?
Gd2 N6 C24 C8 -11.7(5) . . . . ?
Gd2 N6 C24 C23 164.0(3) . . . . ?
Gd2 C45 C46 C47 68.4(3) . . . . ?
Gd2 C45 C46 C51 -120.5(4) . . . . ?
Gd2 C45 C49 C48 -66.9(3) . . . . ?
Gd2 C45 C49 C54 127.5(4) . . . . ?
Gd2 C46 C47 C48 70.5(3) . . . . ?
Gd2 C46 C47 C52 -117.8(4) . . . . ?
Gd2 C47 C48 C49 69.3(3) . . . . ?
Gd2 C47 C48 C53 -125.3(4) . . . . ?
Gd2 C48 C49 C45 67.2(3) . . . . ?
Gd2 C48 C49 C54 -126.8(4) . . . . ?
Gd2 C55 C56 C57 67.8(3) . . . . ?
Gd2 C55 C56 C61 -121.1(4) . . . . ?
Gd2 C55 C59 C58 -69.5(3) . . . . ?
Gd2 C55 C59 C64 120.2(4) . . . . ?
Gd2 C56 C57 C58 69.1(3) . . . . ?
Gd2 C56 C57 C62 -117.3(4) . . . . ?
Gd2 C57 C58 C59 66.4(3) . . . . ?
Gd2 C57 C58 C63 -124.6(4) . . . . ?
Gd2 C58 C59 C55 67.5(3) . . . . ?
Gd2 C58 C59 C64 -122.2(4) . . . . ?
O1S C1S C2S C3S 29.4(6) . . . . ?
O2S C5S C6S C7S 5.1(6) . . . . ?
O3S C9S C10S C11S 12.5(10) . . . . ?
O4S C13S C14S C15S -15.1(7) . . . . ?
N1 Gd1 N2 C6 8.1(3) . . . . ?
N1 Gd1 N2 C9 -172.3(3) . . . . ?
N1 Gd1 N3 C10 4.0(4) . . . . ?
N1 Gd1 N3 C14 172.7(3) . . . . ?
N1 Gd1 C25 C26 86.9(3) . . . . ?
N1 Gd1 C25 C29 -159.8(3) . . . . ?
N1 Gd1 C25 C30 -38.3(3) . . . . ?
N1 Gd1 C26 C25 -85.9(3) . . . . ?
N1 Gd1 C26 C27 160.2(3) . . . . ?
N1 Gd1 C26 C31 38.8(4) . . . . ?
N1 Gd1 C27 C26 -20.0(3) . . . . ?
N1 Gd1 C27 C28 -134.2(3) . . . . ?
N1 Gd1 C27 C32 102.7(4) . . . . ?
N1 Gd1 C28 C27 56.6(3) . . . . ?
N1 Gd1 C28 C29 -57.2(3) . . . . ?
N1 Gd1 C28 C33 179.9(4) . . . . ?
N1 Gd1 C29 C25 20.3(3) . . . . ?
N1 Gd1 C29 C28 133.8(3) . . . . ?
N1 Gd1 C29 C34 -100.7(3) . . . . ?
N1 Gd1 C35 C36 -91.1(3) . . . . ?
N1 Gd1 C35 C39 24.0(3) . . . . ?
N1 Gd1 C35 C40 147.1(4) . . . . ?
N1 Gd1 C36 C35 106.5(3) . . . . ?
N1 Gd1 C36 C37 -7.1(3) . . . . ?
N1 Gd1 C36 C41 -130.0(4) . . . . ?
N1 Gd1 C37 C36 173.7(3) . . . . ?
N1 Gd1 C37 C38 61.3(3) . . . . ?
N1 Gd1 C37 C42 -64.0(4) . . . . ?
N1 Gd1 C38 C37 -114.2(3) . . . . ?
N1 Gd1 C38 C39 130.5(3) . . . . ?
N1 Gd1 C38 C43 11.1(4) . . . . ?
N1 Gd1 C39 C35 -159.8(3) . . . . ?
N1 Gd1 C39 C38 -47.1(3) . . . . ?
N1 Gd1 C39 C44 75.8(4) . . . . ?
N1 C1 C2 C3 2.7(7) . . . . ?
N1 C5 C6 N2 16.0(6) . . . . ?
N1 C5 C6 C7 -166.1(4) . . . . ?
N2 Gd1 N1 C1 171.1(3) . . . . ?
N2 Gd1 N1 C5 1.0(3) . . . . ?
N2 Gd1 N3 C10 2.9(3) . . . . ?
N2 Gd1 N3 C14 171.6(3) . . . . ?
N2 Gd1 C25 C26 151.6(3) . . . . ?
N2 Gd1 C25 C29 -95.1(3) . . . . ?
N2 Gd1 C25 C30 26.4(3) . . . . ?
N2 Gd1 C26 C25 -31.0(3) . . . . ?
N2 Gd1 C26 C27 -145.0(3) . . . . ?
N2 Gd1 C26 C31 93.6(4) . . . . ?
N2 Gd1 C27 C26 49.0(3) . . . . ?
N2 Gd1 C27 C28 -65.2(3) . . . . ?
N2 Gd1 C27 C32 171.7(4) . . . . ?
N2 Gd1 C28 C27 133.8(3) . . . . ?
N2 Gd1 C28 C29 20.0(3) . . . . ?
N2 Gd1 C28 C33 -102.9(4) . . . . ?
N2 Gd1 C29 C25 84.0(3) . . . . ?
N2 Gd1 C29 C28 -162.5(3) . . . . ?
N2 Gd1 C29 C34 -37.0(4) . . . . ?
N2 Gd1 C35 C36 -161.8(2) . . . . ?
N2 Gd1 C35 C39 -46.7(3) . . . . ?
N2 Gd1 C35 C40 76.4(4) . . . . ?
N2 Gd1 C36 C35 25.1(3) . . . . ?
N2 Gd1 C36 C37 -88.5(3) . . . . ?
N2 Gd1 C36 C41 148.6(3) . . . . ?
N2 Gd1 C37 C36 118.3(3) . . . . ?
N2 Gd1 C37 C38 5.9(3) . . . . ?
N2 Gd1 C37 C42 -119.4(3) . . . . ?
N2 Gd1 C38 C37 -175.2(3) . . . . ?
N2 Gd1 C38 C39 69.5(3) . . . . ?
N2 Gd1 C38 C43 -49.9(4) . . . . ?
N2 Gd1 C39 C35 136.0(3) . . . . ?
N2 Gd1 C39 C38 -111.4(3) . . . . ?
N2 Gd1 C39 C44 11.5(4) . . . . ?
N2 C6 C7 N5 27.2(6) . . . . ?
N2 C6 C7 C19 -149.6(4) . . . . ?
N2 C9 C10 N3 16.3(5) . . . . ?
N2 C9 C10 C11 -160.3(4) . . . . ?
N3 Gd1 N1 C1 170.0(3) . . . . ?
N3 Gd1 N1 C5 -0.1(4) . . . . ?
N3 Gd1 N2 C6 -172.9(3) . . . . ?
N3 Gd1 N2 C9 6.7(3) . . . . ?
N3 Gd1 C25 C26 -145.6(3) . . . . ?
N3 Gd1 C25 C29 -32.3(3) . . . . ?
N3 Gd1 C25 C30 89.2(4) . . . . ?
N3 Gd1 C26 C25 42.6(3) . . . . ?
N3 Gd1 C26 C27 -71.3(3) . . . . ?
N3 Gd1 C26 C31 167.3(4) . . . . ?
N3 Gd1 C27 C26 123.5(3) . . . . ?
N3 Gd1 C27 C28 9.3(3) . . . . ?
N3 Gd1 C27 C32 -113.8(4) . . . . ?
N3 Gd1 C28 C27 -171.3(3) . . . . ?
N3 Gd1 C28 C29 74.9(3) . . . . ?
N3 Gd1 C28 C33 -48.0(4) . . . . ?
N3 Gd1 C29 C25 147.3(3) . . . . ?
N3 Gd1 C29 C28 -99.3(3) . . . . ?
N3 Gd1 C29 C34 26.2(3) . . . . ?
N3 Gd1 C35 C36 143.0(3) . . . . ?
N3 Gd1 C35 C39 -101.9(3) . . . . ?
N3 Gd1 C35 C40 21.2(4) . . . . ?
N3 Gd1 C36 C35 -35.6(3) . . . . ?
N3 Gd1 C36 C37 -149.2(3) . . . . ?
N3 Gd1 C36 C41 87.9(4) . . . . ?
N3 Gd1 C37 C36 37.5(3) . . . . ?
N3 Gd1 C37 C38 -75.0(3) . . . . ?
N3 Gd1 C37 C42 159.7(3) . . . . ?
N3 Gd1 C38 C37 119.9(3) . . . . ?
N3 Gd1 C38 C39 4.5(3) . . . . ?
N3 Gd1 C38 C43 -114.8(4) . . . . ?
N3 Gd1 C39 C35 71.6(3) . . . . ?
N3 Gd1 C39 C38 -175.7(3) . . . . ?
N3 Gd1 C39 C44 -52.9(4) . . . . ?
N3 C10 C11 C12 4.0(6) . . . . ?
N4 Gd2 N5 C7 5.9(3) . . . . ?
N4 Gd2 N5 C8 -172.2(3) . . . . ?
N4 Gd2 N6 C20 171.6(3) . . . . ?
N4 Gd2 N6 C24 2.6(4) . . . . ?
N4 Gd2 C45 C46 73.3(3) . . . . ?
N4 Gd2 C45 C49 -172.5(3) . . . . ?
N4 Gd2 C45 C50 -50.6(4) . . . . ?
N4 Gd2 C46 C45 -100.9(3) . . . . ?
N4 Gd2 C46 C47 145.8(3) . . . . ?
N4 Gd2 C46 C51 24.9(3) . . . . ?
N4 Gd2 C47 C46 -33.5(3) . . . . ?
N4 Gd2 C47 C48 -146.5(2) . . . . ?
N4 Gd2 C47 C52 88.7(3) . . . . ?
N4 Gd2 C48 C47 41.3(3) . . . . ?
N4 Gd2 C48 C49 -72.8(3) . . . . ?
N4 Gd2 C48 C53 164.7(3) . . . . ?
N4 Gd2 C49 C45 8.0(3) . . . . ?
N4 Gd2 C49 C48 122.0(3) . . . . ?
N4 Gd2 C49 C54 -116.6(4) . . . . ?
N4 Gd2 C55 C56 -70.1(3) . . . . ?
N4 Gd2 C55 C59 42.7(3) . . . . ?
N4 Gd2 C55 C60 164.1(3) . . . . ?
N4 Gd2 C56 C55 124.6(3) . . . . ?
N4 Gd2 C56 C57 10.3(3) . . . . ?
N4 Gd2 C56 C61 -111.1(4) . . . . ?
N4 Gd2 C57 C56 -170.2(3) . . . . ?
N4 Gd2 C57 C58 76.0(3) . . . . ?
N4 Gd2 C57 C62 -46.6(3) . . . . ?
N4 Gd2 C58 C57 -97.9(3) . . . . ?
N4 Gd2 C58 C59 147.2(3) . . . . ?
N4 Gd2 C58 C63 24.7(4) . . . . ?
N4 Gd2 C59 C55 -145.6(3) . . . . ?
N4 Gd2 C59 C58 -32.3(3) . . . . ?
N4 Gd2 C59 C64 92.2(4) . . . . ?
N4 C15 C16 C17 1.3(7) . . . . ?
N5 Gd2 N4 C15 169.6(3) . . . . ?
N5 Gd2 N4 C19 3.8(3) . . . . ?
N5 Gd2 N6 C20 171.6(3) . . . . ?
N5 Gd2 N6 C24 2.5(3) . . . . ?
N5 Gd2 C45 C46 18.5(3) . . . . ?
N5 Gd2 C45 C49 132.7(2) . . . . ?
N5 Gd2 C45 C50 -105.4(4) . . . . ?
N5 Gd2 C46 C45 -164.0(3) . . . . ?
N5 Gd2 C46 C47 82.7(3) . . . . ?
N5 Gd2 C46 C51 -38.2(4) . . . . ?
N5 Gd2 C47 C46 -96.8(3) . . . . ?
N5 Gd2 C47 C48 150.3(2) . . . . ?
N5 Gd2 C47 C52 25.4(3) . . . . ?
N5 Gd2 C48 C47 -32.6(3) . . . . ?
N5 Gd2 C48 C49 -146.7(2) . . . . ?
N5 Gd2 C48 C53 90.8(4) . . . . ?
N5 Gd2 C49 C45 -67.3(3) . . . . ?
N5 Gd2 C49 C48 46.8(3) . . . . ?
N5 Gd2 C49 C54 168.1(3) . . . . ?
N5 Gd2 C55 C56 11.3(3) . . . . ?
N5 Gd2 C55 C59 124.1(2) . . . . ?
N5 Gd2 C55 C60 -114.5(3) . . . . ?
N5 Gd2 C56 C55 -170.8(3) . . . . ?
N5 Gd2 C56 C57 74.9(3) . . . . ?
N5 Gd2 C56 C61 -46.5(4) . . . . ?
N5 Gd2 C57 C56 -105.8(3) . . . . ?
N5 Gd2 C57 C58 140.4(3) . . . . ?
N5 Gd2 C57 C62 17.9(4) . . . . ?
N5 Gd2 C58 C57 -42.7(3) . . . . ?
N5 Gd2 C58 C59 -157.6(2) . . . . ?
N5 Gd2 C58 C63 80.0(4) . . . . ?
N5 Gd2 C59 C55 -81.7(3) . . . . ?
N5 Gd2 C59 C58 31.7(3) . . . . ?
N5 Gd2 C59 C64 156.1(3) . . . . ?
N5 C7 C19 N4 16.7(5) . . . . ?
N5 C7 C19 C18 -158.0(4) . . . . ?
N5 C8 C9 N2 27.3(6) . . . . ?
N5 C8 C9 C10 -150.7(4) . . . . ?
N5 C8 C24 N6 18.1(5) . . . . ?
N5 C8 C24 C23 -157.6(4) . . . . ?
N6 Gd2 N4 C15 169.6(3) . . . . ?
N6 Gd2 N4 C19 3.8(4) . . . . ?
N6 Gd2 N5 C7 -174.2(3) . . . . ?
N6 Gd2 N5 C8 7.8(3) . . . . ?
N6 Gd2 C45 C46 -59.1(3) . . . . ?
N6 Gd2 C45 C49 55.1(3) . . . . ?
N6 Gd2 C45 C50 176.9(4) . . . . ?
N6 Gd2 C46 C45 132.1(2) . . . . ?
N6 Gd2 C46 C47 18.9(3) . . . . ?
N6 Gd2 C46 C51 -102.1(3) . . . . ?
N6 Gd2 C47 C46 -161.4(3) . . . . ?
N6 Gd2 C47 C48 85.7(2) . . . . ?
N6 Gd2 C47 C52 -39.1(3) . . . . ?
N6 Gd2 C48 C47 -87.1(2) . . . . ?
N6 Gd2 C48 C49 158.8(3) . . . . ?
N6 Gd2 C48 C53 36.3(4) . . . . ?
N6 Gd2 C49 C45 -135.3(2) . . . . ?
N6 Gd2 C49 C48 -21.3(3) . . . . ?
N6 Gd2 C49 C54 100.1(4) . . . . ?
N6 Gd2 C55 C56 65.6(3) . . . . ?
N6 Gd2 C55 C59 178.4(3) . . . . ?
N6 Gd2 C55 C60 -60.1(4) . . . . ?
N6 Gd2 C56 C55 -109.2(3) . . . . ?
N6 Gd2 C56 C57 136.6(3) . . . . ?
N6 Gd2 C56 C61 15.1(4) . . . . ?
N6 Gd2 C57 C56 -41.7(3) . . . . ?
N6 Gd2 C57 C58 -155.5(3) . . . . ?
N6 Gd2 C57 C62 81.9(4) . . . . ?
N6 Gd2 C58 C57 29.5(3) . . . . ?
N6 Gd2 C58 C59 -85.4(3) . . . . ?
N6 Gd2 C58 C63 152.1(3) . . . . ?
N6 Gd2 C59 C55 -1.7(3) . . . . ?
N6 Gd2 C59 C58 111.6(3) . . . . ?
N6 Gd2 C59 C64 -124.0(3) . . . . ?
N6 C20 C21 C22 2.2(7) . . . . ?
C1 N1 C5 C4 -4.3(6) . . . . ?
C1 N1 C5 C6 -179.5(4) . . . . ?
C1 C2 C3 C4 -2.2(7) . . . . ?
C1S O1S C4S C3S -17.0(6) . . . . ?
C1S C2S C3S C4S -37.9(6) . . . . ?
C2 C3 C4 C5 -1.4(7) . . . . ?
C2S C3S C4S O1S 34.4(6) . . . . ?
C3 C4 C5 N1 4.9(7) . . . . ?
C3 C4 C5 C6 179.7(4) . . . . ?
C4 C5 C6 N2 -159.0(4) . . . . ?
C4 C5 C6 C7 18.9(7) . . . . ?
C4S O1S C1S C2S -7.9(6) . . . . ?
C5 N1 C1 C2 0.6(6) . . . . ?
C5 C6 C7 N5 -150.7(4) . . . . ?
C5 C6 C7 C19 32.6(7) . . . . ?
C5S O2S C8S C7S -36.3(6) . . . . ?
C5S C6S C7S C8S -26.0(6) . . . . ?
C6 N2 C9 C8 -13.2(6) . . . . ?
C6 N2 C9 C10 165.0(3) . . . . ?
C6 C7 C19 N4 -166.5(4) . . . . ?
C6 C7 C19 C18 18.9(7) . . . . ?
C6S C7S C8S O2S 38.3(5) . . . . ?
C7 N5 C8 C9 -13.2(6) . . . . ?
C7 N5 C8 C24 165.5(4) . . . . ?
C8 N5 C7 C6 -13.0(6) . . . . ?
C8 N5 C7 C19 164.1(4) . . . . ?
C8 C9 C10 N3 -165.6(4) . . . . ?
C8 C9 C10 C11 17.7(6) . . . . ?
C8S O2S C5S C6S 19.2(6) . . . . ?
C9 N2 C6 C5 164.6(4) . . . . ?
C9 N2 C6 C7 -13.4(6) . . . . ?
C9 C8 C24 N6 -163.2(4) . . . . ?
C9 C8 C24 C23 21.1(7) . . . . ?
C9 C10 C11 C12 -179.6(4) . . . . ?
C9S O3S C12S C11S 10.9(12) . . . . ?
C9S C10S C11S C12S -6.0(12) . . . . ?
C10 N3 C14 C13 0.3(6) . . . . ?
C10 C11 C12 C13 -1.4(6) . . . . ?
C10S C11S C12S O3S -2.9(14) . . . . ?
C11 C12 C13 C14 -1.5(7) . . . . ?
C12 C13 C14 N3 2.2(7) . . . . ?
C12S O3S C9S C10S -14.6(9) . . . . ?
C13S O4S C16S C15S 28.9(6) . . . . ?
C13S C14S C15S C16S 30.9(6) . . . . ?
C14 N3 C10 C9 179.9(4) . . . . ?
C14 N3 C10 C11 -3.4(6) . . . . ?
C14S C15S C16S O4S -36.6(6) . . . . ?
C15 N4 C19 C7 -178.2(4) . . . . ?
C15 N4 C19 C18 -3.5(6) . . . . ?
C15 C16 C17 C18 -1.9(6) . . . . ?
C16 C17 C18 C19 -0.1(6) . . . . ?
C16S O4S C13S C14S -8.2(7) . . . . ?
C17 C18 C19 N4 2.9(6) . . . . ?
C17 C18 C19 C7 177.2(4) . . . . ?
C19 N4 C15 C16 1.4(6) . . . . ?
C20 N6 C24 C8 178.8(4) . . . . ?
C20 N6 C24 C23 -5.4(6) . . . . ?
C20 C21 C22 C23 -2.3(7) . . . . ?
C21 C22 C23 C24 -1.3(7) . . . . ?
C22 C23 C24 N6 5.3(6) . . . . ?
C22 C23 C24 C8 -179.1(4) . . . . ?
C24 N6 C20 C21 1.7(6) . . . . ?
C24 C8 C9 N2 -151.3(4) . . . . ?
C24 C8 C9 C10 30.7(7) . . . . ?
C25 Gd1 N1 C1 -96.0(3) . . . . ?
C25 Gd1 N1 C5 94.0(3) . . . . ?
C25 Gd1 N2 C6 -68.6(3) . . . . ?
C25 Gd1 N2 C9 111.0(3) . . . . ?
C25 Gd1 N3 C10 -78.0(3) . . . . ?
C25 Gd1 N3 C14 90.8(3) . . . . ?
C25 Gd1 C26 C27 -114.0(4) . . . . ?
C25 Gd1 C26 C31 124.7(6) . . . . ?
C25 Gd1 C27 C26 36.9(3) . . . . ?
C25 Gd1 C27 C28 -77.3(3) . . . . ?
C25 Gd1 C27 C32 159.5(5) . . . . ?
C25 Gd1 C28 C27 76.4(3) . . . . ?
C25 Gd1 C28 C29 -37.4(3) . . . . ?
C25 Gd1 C28 C33 -160.3(5) . . . . ?
C25 Gd1 C29 C28 113.5(4) . . . . ?
C25 Gd1 C29 C34 -121.1(5) . . . . ?
C25 Gd1 C35 C36 64.5(5) . . . . ?
C25 Gd1 C35 C39 179.6(3) . . . . ?
C25 Gd1 C35 C40 -57.3(6) . . . . ?
C25 Gd1 C36 C35 -152.2(3) . . . . ?
C25 Gd1 C36 C37 94.3(3) . . . . ?
C25 Gd1 C36 C41 -28.6(5) . . . . ?
C25 Gd1 C37 C36 -116.6(3) . . . . ?
C25 Gd1 C37 C38 131.0(3) . . . . ?
C25 Gd1 C37 C42 5.7(4) . . . . ?
C25 Gd1 C38 C37 -80.4(3) . . . . ?
C25 Gd1 C38 C39 164.3(3) . . . . ?
C25 Gd1 C38 C43 44.9(5) . . . . ?
C25 Gd1 C39 C35 -179.1(7) . . . . ?
C25 Gd1 C39 C38 -66.4(9) . . . . ?
C25 Gd1 C39 C44 56.4(10) . . . . ?
C25 C26 C27 Gd1 -66.5(3) . . . . ?
C25 C26 C27 C28 1.0(5) . . . . ?
C25 C26 C27 C32 168.4(4) . . . . ?
C26 Gd1 N1 C1 -65.3(3) . . . . ?
C26 Gd1 N1 C5 124.7(3) . . . . ?
C26 Gd1 N2 C6 -53.7(3) . . . . ?
C26 Gd1 N2 C9 126.0(3) . . . . ?
C26 Gd1 N3 C10 -98.1(3) . . . . ?
C26 Gd1 N3 C14 70.6(3) . . . . ?
C26 Gd1 C25 C29 113.3(4) . . . . ?
C26 Gd1 C25 C30 -125.2(5) . . . . ?
C26 Gd1 C27 C28 -114.2(4) . . . . ?
C26 Gd1 C27 C32 122.7(5) . . . . ?
C26 Gd1 C28 C27 36.8(3) . . . . ?
C26 Gd1 C28 C29 -77.0(3) . . . . ?
C26 Gd1 C28 C33 160.1(5) . . . . ?
C26 Gd1 C29 C25 -37.0(3) . . . . ?
C26 Gd1 C29 C28 76.5(3) . . . . ?
C26 Gd1 C29 C34 -158.1(4) . . . . ?
C26 Gd1 C35 C36 17.8(4) . . . . ?
C26 Gd1 C35 C39 132.9(3) . . . . ?
C26 Gd1 C35 C40 -104.0(4) . . . . ?
C26 Gd1 C36 C35 -167.8(2) . . . . ?
C26 Gd1 C36 C37 78.7(3) . . . . ?
C26 Gd1 C36 C41 -44.2(4) . . . . ?
C26 Gd1 C37 C36 -110.2(3) . . . . ?
C26 Gd1 C37 C38 137.4(3) . . . . ?
C26 Gd1 C37 C42 12.0(4) . . . . ?
C26 Gd1 C38 C37 -51.9(3) . . . . ?
C26 Gd1 C38 C39 -167.2(3) . . . . ?
C26 Gd1 C38 C43 73.4(4) . . . . ?
C26 Gd1 C39 C35 -89.8(4) . . . . ?
C26 Gd1 C39 C38 22.9(4) . . . . ?
C26 Gd1 C39 C44 145.8(4) . . . . ?
C26 C25 C29 Gd1 70.3(3) . . . . ?
C26 C25 C29 C28 -0.1(5) . . . . ?
C26 C25 C29 C34 -174.1(4) . . . . ?
C26 C27 C28 Gd1 -67.9(3) . . . . ?
C26 C27 C28 C29 -1.0(5) . . . . ?
C26 C27 C28 C33 167.1(4) . . . . ?
C27 C28 C29 Gd1 -68.7(3) . . . . ?
C27 C28 C29 C25 0.7(5) . . . . ?
C27 C28 C29 C34 174.4(4) . . . . ?
C28 Gd1 N1 C1 -80.6(3) . . . . ?
C28 Gd1 N1 C5 109.4(3) . . . . ?
C28 Gd1 N2 C6 -108.6(3) . . . . ?
C28 Gd1 N2 C9 71.1(3) . . . . ?
C28 Gd1 N3 C10 -124.0(3) . . . . ?
C28 Gd1 N3 C14 44.8(3) . . . . ?
C28 Gd1 C25 C26 -76.3(3) . . . . ?
C28 Gd1 C25 C29 37.0(3) . . . . ?
C28 Gd1 C25 C30 158.5(4) . . . . ?
C28 Gd1 C26 C25 77.3(3) . . . . ?
C28 Gd1 C26 C27 -36.6(3) . . . . ?
C28 Gd1 C26 C31 -158.0(5) . . . . ?
C28 Gd1 C27 C26 114.2(4) . . . . ?
C28 Gd1 C27 C32 -123.1(5) . . . . ?
C28 Gd1 C29 C25 -113.5(4) . . . . ?
C28 Gd1 C29 C34 125.5(5) . . . . ?
C28 Gd1 C35 C36 68.0(3) . . . . ?
C28 Gd1 C35 C39 -176.9(3) . . . . ?
C28 Gd1 C35 C40 -53.8(4) . . . . ?
C28 Gd1 C36 C35 -118.7(3) . . . . ?
C28 Gd1 C36 C37 127.8(3) . . . . ?
C28 Gd1 C36 C41 4.9(4) . . . . ?
C28 Gd1 C37 C36 -59.6(3) . . . . ?
C28 Gd1 C37 C38 -172.1(2) . . . . ?
C28 Gd1 C37 C42 62.6(4) . . . . ?
C28 Gd1 C38 C37 12.4(4) . . . . ?
C28 Gd1 C38 C39 -102.9(3) . . . . ?
C28 Gd1 C38 C43 137.7(4) . . . . ?
C28 Gd1 C39 C35 4.5(4) . . . . ?
C28 Gd1 C39 C38 117.2(3) . . . . ?
C28 Gd1 C39 C44 -119.9(4) . . . . ?
C29 Gd1 N1 C1 -106.4(3) . . . . ?
C29 Gd1 N1 C5 83.6(3) . . . . ?
C29 Gd1 N2 C6 -98.7(3) . . . . ?
C29 Gd1 N2 C9 80.9(3) . . . . ?
C29 Gd1 N3 C10 -94.1(3) . . . . ?
C29 Gd1 N3 C14 74.6(3) . . . . ?
C29 Gd1 C25 C26 -113.3(4) . . . . ?
C29 Gd1 C25 C30 121.5(5) . . . . ?
C29 Gd1 C26 C25 37.5(3) . . . . ?
C29 Gd1 C26 C27 -76.4(3) . . . . ?
C29 Gd1 C26 C31 162.2(5) . . . . ?
C29 Gd1 C27 C26 77.2(3) . . . . ?
C29 Gd1 C27 C28 -37.1(3) . . . . ?
C29 Gd1 C27 C32 -160.2(5) . . . . ?
C29 Gd1 C28 C27 113.8(4) . . . . ?
C29 Gd1 C28 C33 -122.9(5) . . . . ?
C29 Gd1 C35 C36 91.4(3) . . . . ?
C29 Gd1 C35 C39 -153.5(3) . . . . ?
C29 Gd1 C35 C40 -30.4(5) . . . . ?
C29 Gd1 C36 C35 -113.5(3) . . . . ?
C29 Gd1 C36 C37 132.9(3) . . . . ?
C29 Gd1 C36 C41 10.0(4) . . . . ?
C29 Gd1 C37 C36 -74.4(3) . . . . ?
C29 Gd1 C37 C38 173.2(2) . . . . ?
C29 Gd1 C37 C42 47.8(5) . . . . ?
C29 Gd1 C38 C37 -29.5(10) . . . . ?
C29 Gd1 C38 C39 -144.8(9) . . . . ?
C29 Gd1 C38 C43 95.9(10) . . . . ?
C29 Gd1 C39 C35 55.0(5) . . . . ?
C29 Gd1 C39 C38 167.7(3) . . . . ?
C29 Gd1 C39 C44 -69.4(5) . . . . ?
C29 C25 C26 Gd1 -68.5(3) . . . . ?
C29 C25 C26 C27 -0.6(5) . . . . ?
C29 C25 C26 C31 168.4(4) . . . . ?
C30 C25 C26 Gd1 117.7(4) . . . . ?
C30 C25 C26 C27 -174.3(4) . . . . ?
C30 C25 C26 C31 -5.4(8) . . . . ?
C30 C25 C29 Gd1 -115.8(4) . . . . ?
C30 C25 C29 C28 173.8(4) . . . . ?
C30 C25 C29 C34 -0.1(7) . . . . ?
C31 C26 C27 Gd1 124.0(4) . . . . ?
C31 C26 C27 C28 -168.5(4) . . . . ?
C31 C26 C27 C32 -1.1(7) . . . . ?
C32 C27 C28 Gd1 124.9(5) . . . . ?
C32 C27 C28 C29 -168.3(4) . . . . ?
C32 C27 C28 C33 -0.2(7) . . . . ?
C33 C28 C29 Gd1 123.4(4) . . . . ?
C33 C28 C29 C25 -167.2(4) . . . . ?
C33 C28 C29 C34 6.5(7) . . . . ?
C35 Gd1 N1 C1 75.5(3) . . . . ?
C35 Gd1 N1 C5 -94.5(3) . . . . ?
C35 Gd1 N2 C6 126.0(3) . . . . ?
C35 Gd1 N2 C9 -54.4(3) . . . . ?
C35 Gd1 N3 C10 122.4(3) . . . . ?
C35 Gd1 N3 C14 -68.9(3) . . . . ?
C35 Gd1 C25 C26 -72.0(5) . . . . ?
C35 Gd1 C25 C29 41.3(5) . . . . ?
C35 Gd1 C25 C30 162.8(4) . . . . ?
C35 Gd1 C26 C25 149.4(3) . . . . ?
C35 Gd1 C26 C27 35.5(4) . . . . ?
C35 Gd1 C26 C31 -85.9(5) . . . . ?
C35 Gd1 C27 C26 -155.7(3) . . . . ?
C35 Gd1 C27 C28 90.1(3) . . . . ?
C35 Gd1 C27 C32 -33.0(4) . . . . ?
C35 Gd1 C28 C27 -102.0(3) . . . . ?
C35 Gd1 C28 C29 144.2(3) . . . . ?
C35 Gd1 C28 C33 21.3(4) . . . . ?
C35 Gd1 C29 C25 -161.8(3) . . . . ?
C35 Gd1 C29 C28 -48.3(3) . . . . ?
C35 Gd1 C29 C34 77.1(4) . . . . ?
C35 Gd1 C36 C37 -113.6(4) . . . . ?
C35 Gd1 C36 C41 123.5(5) . . . . ?
C35 Gd1 C37 C36 36.5(3) . . . . ?
C35 Gd1 C37 C38 -75.9(3) . . . . ?
C35 Gd1 C37 C42 158.7(4) . . . . ?
C35 Gd1 C38 C37 77.7(3) . . . . ?
C35 Gd1 C38 C39 -37.6(3) . . . . ?
C35 Gd1 C38 C43 -157.0(5) . . . . ?
C35 Gd1 C39 C38 112.7(4) . . . . ?
C35 Gd1 C39 C44 -124.4(5) . . . . ?
C35 C36 C37 Gd1 -69.6(3) . . . . ?
C35 C36 C37 C38 0.5(5) . . . . ?
C35 C36 C37 C42 169.4(4) . . . . ?
C36 Gd1 N1 C1 41.4(4) . . . . ?
C36 Gd1 N1 C5 -128.7(3) . . . . ?
C36 Gd1 N2 C6 113.3(3) . . . . ?
C36 Gd1 N2 C9 -67.1(4) . . . . ?
C36 Gd1 N3 C10 139.9(3) . . . . ?
C36 Gd1 N3 C14 -51.4(3) . . . . ?
C36 Gd1 C25 C26 -30.3(4) . . . . ?
C36 Gd1 C25 C29 82.9(3) . . . . ?
C36 Gd1 C25 C30 -155.5(3) . . . . ?
C36 Gd1 C26 C25 158.7(3) . . . . ?
C36 Gd1 C26 C27 44.8(3) . . . . ?
C36 Gd1 C26 C31 -76.6(4) . . . . ?
C36 Gd1 C27 C26 -138.8(3) . . . . ?
C36 Gd1 C27 C28 107.0(3) . . . . ?
C36 Gd1 C27 C32 -16.1(4) . . . . ?
C36 Gd1 C28 C27 -74.4(3) . . . . ?
C36 Gd1 C28 C29 171.8(3) . . . . ?
C36 Gd1 C28 C33 48.9(4) . . . . ?
C36 Gd1 C29 C25 -123.7(3) . . . . ?
C36 Gd1 C29 C28 -10.2(3) . . . . ?
C36 Gd1 C29 C34 115.3(4) . . . . ?
C36 Gd1 C35 C39 115.1(4) . . . . ?
C36 Gd1 C35 C40 -121.8(5) . . . . ?
C36 Gd1 C37 C38 -112.4(4) . . . . ?
C36 Gd1 C37 C42 122.3(5) . . . . ?
C36 Gd1 C38 C37 38.3(3) . . . . ?
C36 Gd1 C38 C39 -77.0(3) . . . . ?
C36 Gd1 C38 C43 163.6(5) . . . . ?
C36 Gd1 C39 C35 -36.0(2) . . . . ?
C36 Gd1 C39 C38 76.7(3) . . . . ?
C36 Gd1 C39 C44 -160.4(4) . . . . ?
C36 C35 C39 Gd1 66.4(3) . . . . ?
C36 C35 C39 C38 -3.1(5) . . . . ?
C36 C35 C39 C44 -177.0(4) . . . . ?
C36 C37 C38 Gd1 -69.2(3) . . . . ?
C36 C37 C38 C39 -2.4(5) . . . . ?
C36 C37 C38 C43 168.2(4) . . . . ?
C37 Gd1 N1 C1 37.7(3) . . . . ?
C37 Gd1 N1 C5 -132.3(3) . . . . ?
C37 Gd1 N2 C6 73.5(3) . . . . ?
C37 Gd1 N2 C9 -106.8(3) . . . . ?
C37 Gd1 N3 C10 121.6(3) . . . . ?
C37 Gd1 N3 C14 -69.6(3) . . . . ?
C37 Gd1 C25 C26 12.5(3) . . . . ?
C37 Gd1 C25 C29 125.8(3) . . . . ?
C37 Gd1 C25 C30 -112.7(4) . . . . ?
C37 Gd1 C26 C25 -170.5(3) . . . . ?
C37 Gd1 C26 C27 75.6(3) . . . . ?
C37 Gd1 C26 C31 -45.8(4) . . . . ?
C37 Gd1 C27 C26 -108.4(3) . . . . ?
C37 Gd1 C27 C28 137.4(3) . . . . ?
C37 Gd1 C27 C32 14.3(4) . . . . ?
C37 Gd1 C28 C27 -48.0(3) . . . . ?
C37 Gd1 C28 C29 -161.8(3) . . . . ?
C37 Gd1 C28 C33 75.3(4) . . . . ?
C37 Gd1 C29 C25 -85.8(3) . . . . ?
C37 Gd1 C29 C28 27.7(4) . . . . ?
C37 Gd1 C29 C34 153.1(3) . . . . ?
C37 Gd1 C35 C36 -37.8(3) . . . . ?
C37 Gd1 C35 C39 77.3(3) . . . . ?
C37 Gd1 C35 C40 -159.6(5) . . . . ?
C37 Gd1 C36 C35 113.6(4) . . . . ?
C37 Gd1 C36 C41 -122.9(5) . . . . ?
C37 Gd1 C38 C39 -115.3(4) . . . . ?
C37 Gd1 C38 C43 125.3(5) . . . . ?
C37 Gd1 C39 C35 -76.5(3) . . . . ?
C37 Gd1 C39 C38 36.1(3) . . . . ?
C37 Gd1 C39 C44 159.0(4) . . . . ?
C37 C38 C39 Gd1 -66.3(3) . . . . ?
C37 C38 C39 C35 3.4(5) . . . . ?
C37 C38 C39 C44 177.4(4) . . . . ?
C38 Gd1 N1 C1 64.9(3) . . . . ?
C38 Gd1 N1 C5 -105.2(3) . . . . ?
C38 Gd1 N2 C6 76.5(3) . . . . ?
C38 Gd1 N2 C9 -103.9(3) . . . . ?
C38 Gd1 N3 C10 90.3(3) . . . . ?
C38 Gd1 N3 C14 -100.9(3) . . . . ?
C38 Gd1 C25 C26 53.6(4) . . . . ?
C38 Gd1 C25 C29 166.9(3) . . . . ?
C38 Gd1 C25 C30 -71.6(4) . . . . ?
C38 Gd1 C26 C25 -146.7(2) . . . . ?
C38 Gd1 C26 C27 99.3(3) . . . . ?
C38 Gd1 C26 C31 -22.0(5) . . . . ?
C38 Gd1 C27 C26 -100.3(3) . . . . ?
C38 Gd1 C27 C28 145.5(3) . . . . ?
C38 Gd1 C27 C32 22.4(5) . . . . ?
C38 Gd1 C28 C27 -54.8(4) . . . . ?
C38 Gd1 C28 C29 -168.6(3) . . . . ?
C38 Gd1 C28 C33 68.5(5) . . . . ?
C38 Gd1 C29 C25 -62.0(10) . . . . ?
C38 Gd1 C29 C28 51.4(10) . . . . ?
C38 Gd1 C29 C34 176.9(8) . . . . ?
C38 Gd1 C35 C36 -77.6(3) . . . . ?
C38 Gd1 C35 C39 37.5(3) . . . . ?
C38 Gd1 C35 C40 160.6(5) . . . . ?
C38 Gd1 C36 C35 76.3(3) . . . . ?
C38 Gd1 C36 C37 -37.3(3) . . . . ?
C38 Gd1 C36 C41 -160.2(5) . . . . ?
C38 Gd1 C37 C36 112.4(4) . . . . ?
C38 Gd1 C37 C42 -125.3(5) . . . . ?
C38 Gd1 C39 C35 -112.7(4) . . . . ?
C38 Gd1 C39 C44 122.9(5) . . . . ?
C39 Gd1 N1 C1 87.3(3) . . . . ?
C39 Gd1 N1 C5 -82.7(3) . . . . ?
C39 Gd1 N2 C6 104.5(3) . . . . ?
C39 Gd1 N2 C9 -75.8(3) . . . . ?
C39 Gd1 N3 C10 92.6(3) . . . . ?
C39 Gd1 N3 C14 -98.6(3) . . . . ?
C39 Gd1 C25 C26 106.8(8) . . . . ?
C39 Gd1 C25 C29 -140.0(8) . . . . ?
C39 Gd1 C25 C30 -18.4(10) . . . . ?
C39 Gd1 C26 C25 -160.1(3) . . . . ?
C39 Gd1 C26 C27 85.9(4) . . . . ?
C39 Gd1 C26 C31 -35.4(6) . . . . ?
C39 Gd1 C27 C26 -134.4(3) . . . . ?
C39 Gd1 C27 C28 111.3(3) . . . . ?
C39 Gd1 C27 C32 -11.8(5) . . . . ?
C39 Gd1 C28 C27 -104.4(3) . . . . ?
C39 Gd1 C28 C29 141.8(3) . . . . ?
C39 Gd1 C28 C33 18.9(5) . . . . ?
C39 Gd1 C29 C25 164.2(3) . . . . ?
C39 Gd1 C29 C28 -82.3(4) . . . . ?
C39 Gd1 C29 C34 43.1(6) . . . . ?
C39 Gd1 C35 C36 -115.1(4) . . . . ?
C39 Gd1 C35 C40 123.1(5) . . . . ?
C39 Gd1 C36 C35 36.5(3) . . . . ?
C39 Gd1 C36 C37 -77.0(3) . . . . ?
C39 Gd1 C36 C41 160.1(5) . . . . ?
C39 Gd1 C37 C36 76.2(3) . . . . ?
C39 Gd1 C37 C38 -36.2(3) . . . . ?
C39 Gd1 C37 C42 -161.6(4) . . . . ?
C39 Gd1 C38 C37 115.3(4) . . . . ?
C39 Gd1 C38 C43 -119.4(5) . . . . ?
C39 C35 C36 Gd1 -66.5(3) . . . . ?
C39 C35 C36 C37 1.6(5) . . . . ?
C39 C35 C36 C41 171.9(4) . . . . ?
C40 C35 C36 Gd1 125.5(4) . . . . ?
C40 C35 C36 C37 -166.3(4) . . . . ?
C40 C35 C36 C41 3.9(7) . . . . ?
C40 C35 C39 Gd1 -125.8(4) . . . . ?
C40 C35 C39 C38 164.7(4) . . . . ?
C40 C35 C39 C44 -9.2(7) . . . . ?
C41 C36 C37 Gd1 120.2(4) . . . . ?
C41 C36 C37 C38 -169.7(4) . . . . ?
C41 C36 C37 C42 -0.8(7) . . . . ?
C42 C37 C38 Gd1 122.2(4) . . . . ?
C42 C37 C38 C39 -171.0(4) . . . . ?
C42 C37 C38 C43 -0.4(7) . . . . ?
C43 C38 C39 Gd1 122.4(4) . . . . ?
C43 C38 C39 C35 -167.8(4) . . . . ?
C43 C38 C39 C44 6.1(7) . . . . ?
C45 Gd2 N4 C15 41.7(3) . . . . ?
C45 Gd2 N4 C19 -124.1(3) . . . . ?
C45 Gd2 N5 C7 69.9(3) . . . . ?
C45 Gd2 N5 C8 -108.1(3) . . . . ?
C45 Gd2 N6 C20 -78.6(3) . . . . ?
C45 Gd2 N6 C24 112.4(3) . . . . ?
C45 Gd2 C46 C47 -113.3(4) . . . . ?
C45 Gd2 C46 C51 125.8(5) . . . . ?
C45 Gd2 C47 C46 36.9(2) . . . . ?
C45 Gd2 C47 C48 -76.0(3) . . . . ?
C45 Gd2 C47 C52 159.2(4) . . . . ?
C45 Gd2 C48 C47 77.3(3) . . . . ?
C45 Gd2 C48 C49 -36.8(2) . . . . ?
C45 Gd2 C48 C53 -159.3(5) . . . . ?
C45 Gd2 C49 C48 114.0(4) . . . . ?
C45 Gd2 C49 C54 -124.7(5) . . . . ?
C45 Gd2 C55 C56 -169.0(2) . . . . ?
C45 Gd2 C55 C59 -56.2(3) . . . . ?
C45 Gd2 C55 C60 65.2(4) . . . . ?
C45 Gd2 C56 C55 17.3(4) . . . . ?
C45 Gd2 C56 C57 -96.9(3) . . . . ?
C45 Gd2 C56 C61 141.6(3) . . . . ?
C45 Gd2 C57 C56 121.0(3) . . . . ?
C45 Gd2 C57 C58 7.3(3) . . . . ?
C45 Gd2 C57 C62 -115.3(4) . . . . ?
C45 Gd2 C58 C57 -174.9(2) . . . . ?
C45 Gd2 C58 C59 70.2(3) . . . . ?
C45 Gd2 C58 C63 -52.2(4) . . . . ?
C45 Gd2 C59 C55 130.8(3) . . . . ?
C45 Gd2 C59 C58 -115.9(3) . . . . ?
C45 Gd2 C59 C64 8.6(4) . . . . ?
C45 C46 C47 Gd2 -70.1(3) . . . . ?
C45 C46 C47 C48 0.4(5) . . . . ?
C45 C46 C47 C52 172.1(4) . . . . ?
C46 Gd2 N4 C15 71.1(3) . . . . ?
C46 Gd2 N4 C19 -94.6(3) . . . . ?
C46 Gd2 N5 C7 79.0(3) . . . . ?
C46 Gd2 N5 C8 -99.1(3) . . . . ?
C46 Gd2 N6 C20 -104.8(3) . . . . ?
C46 Gd2 N6 C24 86.1(3) . . . . ?
C46 Gd2 C45 C49 114.2(4) . . . . ?
C46 Gd2 C45 C50 -123.9(5) . . . . ?
C46 Gd2 C47 C48 -112.9(4) . . . . ?
C46 Gd2 C47 C52 122.2(5) . . . . ?
C46 Gd2 C48 C47 37.7(2) . . . . ?
C46 Gd2 C48 C49 -76.4(3) . . . . ?
C46 Gd2 C48 C53 161.1(5) . . . . ?
C46 Gd2 C49 C45 -36.7(2) . . . . ?
C46 Gd2 C49 C48 77.3(3) . . . . ?
C46 Gd2 C49 C54 -161.4(4) . . . . ?
C46 Gd2 C55 C56 175.8(2) . . . . ?
C46 Gd2 C55 C59 -71.4(3) . . . . ?
C46 Gd2 C55 C60 50.0(4) . . . . ?
C46 Gd2 C56 C55 -20.0(11) . . . . ?
C46 Gd2 C56 C57 -134.3(10) . . . . ?
C46 Gd2 C56 C61 104.3(10) . . . . ?
C46 Gd2 C57 C56 167.4(3) . . . . ?
C46 Gd2 C57 C58 53.6(4) . . . . ?
C46 Gd2 C57 C62 -69.0(5) . . . . ?
C46 Gd2 C58 C57 -152.9(2) . . . . ?
C46 Gd2 C58 C59 92.2(3) . . . . ?
C46 Gd2 C58 C63 -30.3(5) . . . . ?
C46 Gd2 C59 C55 134.7(3) . . . . ?
C46 Gd2 C59 C58 -111.9(3) . . . . ?
C46 Gd2 C59 C64 12.5(4) . . . . ?
C46 C45 C49 Gd2 67.0(3) . . . . ?
C46 C45 C49 C48 0.1(5) . . . . ?
C46 C45 C49 C54 -165.5(4) . . . . ?
C46 C47 C48 Gd2 -69.6(3) . . . . ?
C46 C47 C48 C49 -0.3(5) . . . . ?
C46 C47 C48 C53 165.1(4) . . . . ?
C47 Gd2 N4 C15 87.9(3) . . . . ?
C47 Gd2 N4 C19 -77.9(3) . . . . ?
C47 Gd2 N5 C7 109.0(3) . . . . ?
C47 Gd2 N5 C8 -69.1(3) . . . . ?
C47 Gd2 N6 C20 -95.2(3) . . . . ?
C47 Gd2 N6 C24 95.7(3) . . . . ?
C47 Gd2 C45 C46 -37.6(2) . . . . ?
C47 Gd2 C45 C49 76.6(3) . . . . ?
C47 Gd2 C45 C50 -161.5(5) . . . . ?
C47 Gd2 C46 C45 113.3(4) . . . . ?
C47 Gd2 C46 C51 -120.9(5) . . . . ?
C47 Gd2 C48 C49 -114.1(4) . . . . ?
C47 Gd2 C48 C53 123.4(5) . . . . ?
C47 Gd2 C49 C45 -77.1(3) . . . . ?
C47 Gd2 C49 C48 36.9(2) . . . . ?
C47 Gd2 C49 C54 158.3(5) . . . . ?
C47 Gd2 C55 C56 134.0(3) . . . . ?
C47 Gd2 C55 C59 -113.2(3) . . . . ?
C47 Gd2 C55 C60 8.3(4) . . . . ?
C47 Gd2 C56 C55 -77.5(3) . . . . ?
C47 Gd2 C56 C57 168.2(3) . . . . ?
C47 Gd2 C56 C61 46.8(5) . . . . ?
C47 Gd2 C57 C56 -63.8(11) . . . . ?
C47 Gd2 C57 C58 -177.6(10) . . . . ?
C47 Gd2 C57 C62 59.9(12) . . . . ?
C47 Gd2 C58 C57 179.2(3) . . . . ?
C47 Gd2 C58 C59 64.3(4) . . . . ?
C47 Gd2 C58 C63 -58.2(6) . . . . ?
C47 Gd2 C59 C55 96.5(3) . . . . ?
C47 Gd2 C59 C58 -150.1(2) . . . . ?
C47 Gd2 C59 C64 -25.7(4) . . . . ?
C47 C48 C49 Gd2 -67.1(3) . . . . ?
C47 C48 C49 C45 0.1(5) . . . . ?
C47 C48 C49 C54 166.2(4) . . . . ?
C48 Gd2 N4 C15 68.3(3) . . . . ?
C48 Gd2 N4 C19 -97.4(3) . . . . ?
C48 Gd2 N5 C7 124.6(3) . . . . ?
C48 Gd2 N5 C8 -53.5(3) . . . . ?
C48 Gd2 N6 C20 -64.4(3) . . . . ?
C48 Gd2 N6 C24 126.5(3) . . . . ?
C48 Gd2 C45 C46 -77.5(3) . . . . ?
C48 Gd2 C45 C49 36.7(2) . . . . ?
C48 Gd2 C45 C50 158.6(5) . . . . ?
C48 Gd2 C46 C45 76.0(3) . . . . ?
C48 Gd2 C46 C47 -37.2(2) . . . . ?
C48 Gd2 C46 C51 -158.2(4) . . . . ?
C48 Gd2 C47 C46 112.9(4) . . . . ?
C48 Gd2 C47 C52 -124.8(5) . . . . ?
C48 Gd2 C49 C45 -114.0(4) . . . . ?
C48 Gd2 C49 C54 121.3(5) . . . . ?
C48 Gd2 C55 C56 140.9(3) . . . . ?
C48 Gd2 C55 C59 -106.3(3) . . . . ?
C48 Gd2 C55 C60 15.2(4) . . . . ?
C48 Gd2 C56 C55 -48.2(3) . . . . ?
C48 Gd2 C56 C57 -162.4(2) . . . . ?
C48 Gd2 C56 C61 76.1(4) . . . . ?
C48 Gd2 C57 C56 31.7(4) . . . . ?
C48 Gd2 C57 C58 -82.1(4) . . . . ?
C48 Gd2 C57 C62 155.4(3) . . . . ?
C48 Gd2 C58 C57 136.4(3) . . . . ?
C48 Gd2 C58 C59 21.5(3) . . . . ?
C48 Gd2 C58 C63 -100.9(4) . . . . ?
C48 Gd2 C59 C55 82.0(3) . . . . ?
C48 Gd2 C59 C58 -164.7(2) . . . . ?
C48 Gd2 C59 C64 -40.2(4) . . . . ?
C49 C45 C46 Gd2 -68.7(3) . . . . ?
C49 C45 C46 C47 -0.3(5) . . . . ?
C49 C45 C46 C51 170.8(4) . . . . ?
C50 C45 C46 Gd2 124.9(4) . . . . ?
C50 C45 C46 C47 -166.7(4) . . . . ?
C50 C45 C46 C51 4.3(7) . . . . ?
C50 C45 C49 Gd2 -126.1(4) . . . . ?
C50 C45 C49 C48 167.0(4) . . . . ?
C50 C45 C49 C54 1.4(7) . . . . ?
C51 C46 C47 Gd2 118.5(4) . . . . ?
C51 C46 C47 C48 -171.0(4) . . . . ?
C51 C46 C47 C52 0.7(7) . . . . ?
C52 C47 C48 Gd2 118.9(4) . . . . ?
C52 C47 C48 C49 -171.9(4) . . . . ?
C52 C47 C48 C53 -6.4(7) . . . . ?
C53 C48 C49 Gd2 127.0(4) . . . . ?
C53 C48 C49 C45 -165.8(4) . . . . ?
C53 C48 C49 C54 0.2(7) . . . . ?
C55 Gd2 N4 C15 -73.9(3) . . . . ?
C55 Gd2 N4 C19 120.4(3) . . . . ?
C55 Gd2 N5 C7 -110.4(3) . . . . ?
C55 Gd2 N5 C8 71.6(3) . . . . ?
C55 Gd2 N6 C20 38.8(3) . . . . ?
C55 Gd2 N6 C24 -130.2(3) . . . . ?
C55 Gd2 C45 C46 -161.3(2) . . . . ?
C55 Gd2 C45 C49 -47.1(3) . . . . ?
C55 Gd2 C45 C50 74.8(4) . . . . ?
C55 Gd2 C46 C45 28.6(4) . . . . ?
C55 Gd2 C46 C47 -84.7(3) . . . . ?
C55 Gd2 C46 C51 154.4(3) . . . . ?
C55 Gd2 C47 C46 126.6(3) . . . . ?
C55 Gd2 C47 C48 13.6(3) . . . . ?
C55 Gd2 C47 C52 -111.2(4) . . . . ?
C55 Gd2 C48 C47 -169.5(2) . . . . ?
C55 Gd2 C48 C49 76.3(3) . . . . ?
C55 Gd2 C48 C53 -46.2(4) . . . . ?
C55 Gd2 C49 C45 138.4(3) . . . . ?
C55 Gd2 C49 C48 -107.6(3) . . . . ?
C55 Gd2 C49 C54 13.7(4) . . . . ?
C55 Gd2 C56 C57 -114.3(4) . . . . ?
C55 Gd2 C56 C61 124.3(5) . . . . ?
C55 Gd2 C57 C56 37.0(3) . . . . ?
C55 Gd2 C57 C58 -76.8(3) . . . . ?
C55 Gd2 C57 C62 160.7(4) . . . . ?
C55 Gd2 C58 C57 77.2(3) . . . . ?
C55 Gd2 C58 C59 -37.7(2) . . . . ?
C55 Gd2 C58 C63 -160.2(5) . . . . ?
C55 Gd2 C59 C58 113.3(4) . . . . ?
C55 Gd2 C59 C64 -122.2(5) . . . . ?
C55 C56 C57 Gd2 -66.5(3) . . . . ?
C55 C56 C57 C58 2.6(5) . . . . ?
C55 C56 C57 C62 176.2(4) . . . . ?
C56 Gd2 N4 C15 -104.4(3) . . . . ?
C56 Gd2 N4 C19 89.8(3) . . . . ?
C56 Gd2 N5 C7 -104.7(3) . . . . ?
C56 Gd2 N5 C8 77.3(3) . . . . ?
C56 Gd2 N6 C20 67.4(3) . . . . ?
C56 Gd2 N6 C24 -101.7(3) . . . . ?
C56 Gd2 C45 C46 -170.8(2) . . . . ?
C56 Gd2 C45 C49 -56.7(4) . . . . ?
C56 Gd2 C45 C50 65.2(5) . . . . ?
C56 Gd2 C46 C45 45.1(11) . . . . ?
C56 Gd2 C46 C47 -68.2(11) . . . . ?
C56 Gd2 C46 C51 170.9(9) . . . . ?
C56 Gd2 C47 C46 167.4(3) . . . . ?
C56 Gd2 C47 C48 54.5(4) . . . . ?
C56 Gd2 C47 C52 -70.3(4) . . . . ?
C56 Gd2 C48 C47 -146.9(2) . . . . ?
C56 Gd2 C48 C49 98.9(3) . . . . ?
C56 Gd2 C48 C53 -23.6(4) . . . . ?
C56 Gd2 C49 C45 144.6(2) . . . . ?
C56 Gd2 C49 C48 -101.4(3) . . . . ?
C56 Gd2 C49 C54 19.9(4) . . . . ?
C56 Gd2 C55 C59 112.8(4) . . . . ?
C56 Gd2 C55 C60 -125.8(5) . . . . ?
C56 Gd2 C57 C58 -113.8(4) . . . . ?
C56 Gd2 C57 C62 123.6(5) . . . . ?
C56 Gd2 C58 C57 37.0(2) . . . . ?
C56 Gd2 C58 C59 -77.9(3) . . . . ?
C56 Gd2 C58 C63 159.6(5) . . . . ?
C56 Gd2 C59 C55 -37.5(2) . . . . ?
C56 Gd2 C59 C58 75.9(3) . . . . ?
C56 Gd2 C59 C64 -159.7(4) . . . . ?
C56 C55 C59 Gd2 70.4(3) . . . . ?
C56 C55 C59 C58 0.9(5) . . . . ?
C56 C55 C59 C64 -169.4(4) . . . . ?
C56 C57 C58 Gd2 -68.5(3) . . . . ?
C56 C57 C58 C59 -2.1(5) . . . . ?
C56 C57 C58 C63 166.9(4) . . . . ?
C57 Gd2 N4 C15 -99.2(3) . . . . ?
C57 Gd2 N4 C19 95.0(3) . . . . ?
C57 Gd2 N5 C7 -75.9(3) . . . . ?
C57 Gd2 N5 C8 106.1(3) . . . . ?
C57 Gd2 N6 C20 87.6(3) . . . . ?
C57 Gd2 N6 C24 -81.5(3) . . . . ?
C57 Gd2 C45 C46 141.6(3) . . . . ?
C57 Gd2 C45 C49 -104.2(3) . . . . ?
C57 Gd2 C45 C50 17.7(5) . . . . ?
C57 Gd2 C46 C45 -78.0(4) . . . . ?
C57 Gd2 C46 C47 168.7(3) . . . . ?
C57 Gd2 C46 C51 47.8(5) . . . . ?
C57 Gd2 C47 C46 -138.8(10) . . . . ?
C57 Gd2 C47 C48 108.3(10) . . . . ?
C57 Gd2 C47 C52 -16.6(13) . . . . ?
C57 Gd2 C48 C47 -165.4(3) . . . . ?
C57 Gd2 C48 C49 80.5(4) . . . . ?
C57 Gd2 C48 C53 -42.0(5) . . . . ?
C57 Gd2 C49 C45 109.0(3) . . . . ?
C57 Gd2 C49 C48 -137.0(3) . . . . ?
C57 Gd2 C49 C54 -15.7(5) . . . . ?
C57 Gd2 C55 C56 -36.5(2) . . . . ?
C57 Gd2 C55 C59 76.3(3) . . . . ?
C57 Gd2 C55 C60 -162.3(4) . . . . ?
C57 Gd2 C56 C55 114.3(4) . . . . ?
C57 Gd2 C56 C61 -121.4(5) . . . . ?
C57 Gd2 C58 C59 -114.9(4) . . . . ?
C57 Gd2 C58 C63 122.6(5) . . . . ?
C57 Gd2 C59 C55 -77.0(3) . . . . ?
C57 Gd2 C59 C58 36.4(2) . . . . ?
C57 Gd2 C59 C64 160.8(4) . . . . ?
C57 C58 C59 Gd2 -66.8(3) . . . . ?
C57 C58 C59 C55 0.7(5) . . . . ?
C57 C58 C59 C64 171.0(4) . . . . ?
C58 Gd2 N4 C15 -69.3(3) . . . . ?
C58 Gd2 N4 C19 125.0(3) . . . . ?
C58 Gd2 N5 C7 -56.1(3) . . . . ?
C58 Gd2 N5 C8 125.9(3) . . . . ?
C58 Gd2 N6 C20 73.3(3) . . . . ?
C58 Gd2 N6 C24 -95.8(3) . . . . ?
C58 Gd2 C45 C46 145.4(2) . . . . ?
C58 Gd2 C45 C49 -100.4(3) . . . . ?
C58 Gd2 C45 C50 21.5(4) . . . . ?
C58 Gd2 C46 C45 -45.8(3) . . . . ?
C58 Gd2 C46 C47 -159.1(2) . . . . ?
C58 Gd2 C46 C51 80.0(4) . . . . ?
C58 Gd2 C47 C46 44.3(5) . . . . ?
C58 Gd2 C47 C48 -68.6(4) . . . . ?
C58 Gd2 C47 C52 166.6(3) . . . . ?
C58 Gd2 C48 C47 148.4(2) . . . . ?
C58 Gd2 C48 C49 34.3(3) . . . . ?
C58 Gd2 C48 C53 -88.2(4) . . . . ?
C58 Gd2 C49 C45 90.3(3) . . . . ?
C58 Gd2 C49 C48 -155.7(2) . . . . ?
C58 Gd2 C49 C54 -34.4(4) . . . . ?
C58 Gd2 C55 C56 -76.0(3) . . . . ?
C58 Gd2 C55 C59 36.8(2) . . . . ?
C58 Gd2 C55 C60 158.3(4) . . . . ?
C58 Gd2 C56 C55 77.3(3) . . . . ?
C58 Gd2 C56 C57 -36.9(3) . . . . ?
C58 Gd2 C56 C61 -158.4(4) . . . . ?
C58 Gd2 C57 C56 113.8(4) . . . . ?
C58 Gd2 C57 C62 -122.6(5) . . . . ?
C58 Gd2 C59 C55 -113.3(4) . . . . ?
C58 Gd2 C59 C64 124.4(5) . . . . ?
C59 Gd2 N4 C15 -53.3(3) . . . . ?
C59 Gd2 N4 C19 141.0(3) . . . . ?
C59 Gd2 N5 C7 -72.3(3) . . . . ?
C59 Gd2 N5 C8 109.7(3) . . . . ?
C59 Gd2 N6 C20 39.7(3) . . . . ?
C59 Gd2 N6 C24 -129.4(3) . . . . ?
C59 Gd2 C45 C46 173.5(3) . . . . ?
C59 Gd2 C45 C49 -72.3(3) . . . . ?
C59 Gd2 C45 C50 49.6(4) . . . . ?
C59 Gd2 C46 C45 -7.9(3) . . . . ?
C59 Gd2 C46 C47 -121.2(3) . . . . ?
C59 Gd2 C46 C51 117.9(3) . . . . ?
C59 Gd2 C47 C46 84.4(3) . . . . ?
C59 Gd2 C47 C48 -28.5(3) . . . . ?
C59 Gd2 C47 C52 -153.3(3) . . . . ?
C59 Gd2 C48 C47 159.5(2) . . . . ?
C59 Gd2 C48 C49 45.4(3) . . . . ?
C59 Gd2 C48 C53 -77.1(4) . . . . ?
C59 Gd2 C49 C45 108.5(3) . . . . ?
C59 Gd2 C49 C48 -137.5(3) . . . . ?
C59 Gd2 C49 C54 -16.1(4) . . . . ?
C59 Gd2 C55 C56 -112.8(4) . . . . ?
C59 Gd2 C55 C60 121.4(5) . . . . ?
C59 Gd2 C56 C55 37.8(2) . . . . ?
C59 Gd2 C56 C57 -76.5(3) . . . . ?
C59 Gd2 C56 C61 162.1(4) . . . . ?
C59 Gd2 C57 C56 77.4(3) . . . . ?
C59 Gd2 C57 C58 -36.4(2) . . . . ?
C59 Gd2 C57 C62 -158.9(4) . . . . ?
C59 Gd2 C58 C57 114.9(4) . . . . ?
C59 Gd2 C58 C63 -122.5(5) . . . . ?
C59 C55 C56 Gd2 -70.0(3) . . . . ?
C59 C55 C56 C57 -2.2(5) . . . . ?
C59 C55 C56 C61 168.9(4) . . . . ?
C60 C55 C56 Gd2 118.7(4) . . . . ?
C60 C55 C56 C57 -173.5(4) . . . . ?
C60 C55 C56 C61 -2.4(7) . . . . ?
C60 C55 C59 Gd2 -117.9(4) . . . . ?
C60 C55 C59 C58 172.6(4) . . . . ?
C60 C55 C59 C64 2.3(7) . . . . ?
C61 C56 C57 Gd2 122.0(4) . . . . ?
C61 C56 C57 C58 -168.8(4) . . . . ?
C61 C56 C57 C62 4.7(7) . . . . ?
C62 C57 C58 Gd2 117.9(4) . . . . ?
C62 C57 C58 C59 -175.7(4) . . . . ?
C62 C57 C58 C63 -6.8(7) . . . . ?
C63 C58 C59 Gd2 124.3(4) . . . . ?
C63 C58 C59 C55 -168.2(4) . . . . ?
C63 C58 C59 C64 2.0(7) . . . . ?
C65 C66 C67 C68 -1.5(7) . . . . ?
C66 C65 C70 C69 1.1(6) . . . . ?
C66 C65 B1 C71 -173.7(4) . . . . ?
C66 C65 B1 C77 64.3(5) . . . . ?
C66 C65 B1 C83 -56.5(5) . . . . ?
C66 C67 C68 C69 2.1(7) . . . . ?
C67 C68 C69 C70 -1.1(7) . . . . ?
C68 C69 C70 C65 -0.5(7) . . . . ?
C70 C65 C66 C67 -0.1(6) . . . . ?
C70 C65 B1 C71 9.9(6) . . . . ?
C70 C65 B1 C77 -112.2(5) . . . . ?
C70 C65 B1 C83 127.1(5) . . . . ?
C71 C72 C73 C74 -0.4(7) . . . . ?
C72 C71 C76 C75 3.5(7) . . . . ?
C72 C71 B1 C65 -134.8(4) . . . . ?
C72 C71 B1 C77 -18.3(6) . . . . ?
C72 C71 B1 C83 104.4(5) . . . . ?
C72 C73 C74 C75 1.5(8) . . . . ?
C73 C74 C75 C76 -0.1(8) . . . . ?
C74 C75 C76 C71 -2.6(8) . . . . ?
C76 C71 C72 C73 -2.0(7) . . . . ?
C76 C71 B1 C65 50.2(6) . . . . ?
C76 C71 B1 C77 166.7(4) . . . . ?
C76 C71 B1 C83 -70.6(5) . . . . ?
C77 C78 C79 C80 -0.6(8) . . . . ?
C78 C77 C82 C81 -0.5(7) . . . . ?
C78 C77 B1 C65 -102.5(5) . . . . ?
C78 C77 B1 C71 136.3(4) . . . . ?
C78 C77 B1 C83 17.6(6) . . . . ?
C78 C79 C80 C81 0.2(8) . . . . ?
C79 C80 C81 C82 0.0(7) . . . . ?
C80 C81 C82 C77 0.1(7) . . . . ?
C82 C77 C78 C79 0.7(7) . . . . ?
C82 C77 B1 C65 70.9(5) . . . . ?
C82 C77 B1 C71 -50.4(6) . . . . ?
C82 C77 B1 C83 -169.1(4) . . . . ?
C83 C84 C85 C86 -0.8(9) . . . . ?
C84 C83 C88 C87 -1.2(7) . . . . ?
C84 C83 B1 C65 164.8(4) . . . . ?
C84 C83 B1 C71 -73.9(5) . . . . ?
C84 C83 B1 C77 49.3(6) . . . . ?
C84 C85 C86 C87 -1.0(8) . . . . ?
C85 C86 C87 C88 1.5(8) . . . . ?
C86 C87 C88 C83 -0.4(7) . . . . ?
C88 C83 C84 C85 1.8(7) . . . . ?
C88 C83 B1 C65 -19.8(6) . . . . ?
C88 C83 B1 C71 101.5(5) . . . . ?
C88 C83 B1 C77 -135.3(4) . . . . ?
B1 C65 C66 C67 -176.9(4) . . . . ?
B1 C65 C70 C69 177.7(4) . . . . ?
B1 C71 C72 C73 -177.2(4) . . . . ?
B1 C71 C76 C75 178.9(5) . . . . ?
B1 C77 C78 C79 174.4(4) . . . . ?
B1 C77 C82 C81 -174.3(4) . . . . ?
B1 C83 C84 C85 177.7(5) . . . . ?
B1 C83 C88 C87 -176.9(4) . . . . ?

_database_code_depnum_ccdc_archive 'CCDC 1014884'
#######################################################################
#
#                 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_sd006s

_audit_creation_method           SHELXL-2014/4
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C110 H160 Dy2 K N8 O13'
_chemical_formula_weight         2166.55

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0040 0.0020 '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'
Dy Dy -0.1270 5.1260 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2370 0.3140 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0080 0.0040 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0140 0.0070 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_H-M_alt        'C c'
_space_group_name_Hall           'C -2yc'

_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'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'

_cell_length_a                   22.168(3)
_cell_length_b                   25.230(3)
_cell_length_c                   20.706(2)
_cell_angle_alpha                90
_cell_angle_beta                 111.311(2)
_cell_angle_gamma                90
_cell_volume                     10789(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9983
_cell_measurement_theta_min      2.852
_cell_measurement_theta_max      29.357

_exptl_crystal_description       plate
_exptl_crystal_colour            'dark purple'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.334
_exptl_crystal_F_000             4524
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.025
_exptl_absorpt_coefficient_mu    1.844
_shelx_estimated_absorpt_T_min   0.769
_shelx_estimated_absorpt_T_max   0.955
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.754
_exptl_absorpt_correction_T_max  0.955
_exptl_absorpt_process_details   'SADABS 2008/1 Bruker AXS Madison WI USA'

_exptl_special_details           
;
 X-ray diffraction analyses were performed on single crystals coated with
 Paratone-N oil and mounted on Kaptan loops. Crystals were frozen at a
 temperature of 100 K by an Oxford Cryosystems Cyrostream using N2 during
 the experiments. Data was collected at Beamline 11.3.1 at the Advanced
 Light Source, Lawrence Berkeley National Laboratory using synchrotron
 radiation (lamda = 0.7749 angstroms) and a Bruker PHOTON100 CMOS diffractometer.
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.7749
_diffrn_radiation_type           synchrotron
_diffrn_source                   'Advanced Light Source Station 11.3.1'
_diffrn_measurement_device_type  'Bruker PHOTON100 CMOS diffractometer'
_diffrn_measurement_method       'ω/θ scans'
_diffrn_detector_area_resol_mean 10.42
_diffrn_reflns_number            53408
_diffrn_reflns_av_unetI/netI     0.0614
_diffrn_reflns_av_R_equivalents  0.0457
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.038
_diffrn_reflns_theta_max         29.497
_diffrn_reflns_theta_full        27.706
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             22271
_reflns_number_gt                17767
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.999
_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 APEX 2'
_computing_cell_refinement       'Bruker SAINT v8.18c'
_computing_data_reduction        'Bruker SAINT v8.18c'
_computing_structure_solution    'SHELXT-2014/4 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/4 (Sheldrick, 2014)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0618P)²+36.2501P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     Direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_special_details          Twin
_vrf_PLAT411_sd006s              
;
PROBLEM: Short Inter H...H Contact  H69B   ..  H94C    ..       1.66 Ang.  
RESPONSE: These hydrogens belong to severely disordered molecules. Their locations are averaged over the disorder in the model and, consequently, are not very accurate. The short contacts are just an artifact of the averaging in the structural model. In the crystal, the molecules probably exist in varying orientations that have the hydrogen atoms at more reasonable distances away from each other.
;
_vrf_PLAT242_sd006s              
;
PROBLEM: Low       Ueq as Compared to Neighbors for .....         K1 Check 
RESPONSE: The crypt-222 atoms around the K ion show significant disorder, resulting in much larger Ueq for the crypt-22 atoms in comparison to the K ion at the center.
;
_vrf_PLAT342_sd006s              
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............     0.0326 Ang.  
RESPONSE: The severe disorder of the solvent in the structure results in the low average C-C bond precision. The [(Cp*2Dy)2(mu-tppz.)]- complex is ordered with the exception of two Cp* ligands and, thus, shows higher bond precision compared to the rest of molecules in the structure.
;
_vrf_PLAT410_sd006s              
;
PROBLEM: Short Intra H...H Contact  H70A   ..  H75A    ..       1.83 Ang.  
RESPONSE: These hydrogens belong to severely disordered molecules. Their locations are averaged over the disorder in the model and, consequently, are not very accurate. The short contacts are just an artifact of the averaging in the structural model. In the crystal, the molecules probably exist in varying orientations that have the hydrogen atoms at more reasonable distances away from each other.
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C109-C110 = C111-C112
 1.45 with sigma of 0.02
 C111-C110
 1.46 with sigma of 0.02
 O13-C109 = O13-C112
 1.43 with sigma of 0.02
 C103-C101
 1.45 with sigma of 0.02
 C103-O11
 1.43 with sigma of 0.02
 C97A-C96A
 1.46 with sigma of 0.02
 C96A-C95A = C98A-C97A
 1.45 with sigma of 0.02
 O10A-C95A = O10A-C98A
 1.43 with sigma of 0.02
 C96B-C97B = C84-C85 = C88-C89 = C101-C100 = C92B-C93B = C106-C105
 1.46 with sigma of 0.02
 C100-C99 = C102-C101 = C90-C89 = C88-C87 = C105-C104 = C106-C107 = C86-C85 =
 C91B-C92B = C93B-C94B = C98B-C97B = C96B-C95B = C84-C83
 1.45 with sigma of 0.02
 O12-C107 = O12-C104 = O8-C90 = O8-C87 = O11-C102 = O11-C99 = O10B-C98B = O10B-
 C95B = O7-C86 = O7-C83 = O9B-C91B = O9B-C94B
 1.43 with sigma of 0.02
 C58B-C59B \\sim C59B-C55B \\sim C59A-C55A \\sim C59A-C58A \\sim C57B-C58B
\\sim C57A-C58A \\sim C56B-
 C57B \\sim C57A-C56A \\sim C56B-C55B \\sim C56A-C55A
 with sigma of 0.02
 C56B-C61B \\sim C56A-C61A \\sim C60B-C55B \\sim C60A-C55A \\sim C59B-C64B
\\sim C59A-C64A \\sim C63A-
 C58A \\sim C62B-C57B \\sim C62A-C57A
 with sigma of 0.02
 C47A-C46A \\sim C48B-C49B \\sim C45A-C46A \\sim C45B-C49B \\sim C49A-C45A
\\sim C45B-C46B \\sim C46B-
 C47B \\sim C48A-C49A \\sim C47A-C48A \\sim C47B-C48B
 with sigma of 0.02
 C63A-C58A \\sim C62B-C57B \\sim C62A-C57A \\sim C56B-C61B \\sim C56A-C61A
\\sim C60B-C55B \\sim C60A-
 C55A \\sim C59B-C64B \\sim C59A-C64A
 with sigma of 0.02
 C63B-C58B \\sim C63A-C58A \\sim C62B-C57B \\sim C62A-C57A \\sim C56B-C61B
\\sim C56A-C61A \\sim C60B-
 C55B \\sim C60A-C55A \\sim C59B-C64B \\sim C59A-C64A
 with sigma of 0.02
 N8-C76 \\sim N8-C70 \\sim N8-C82 \\sim N7-C71 \\sim N7-C77 \\sim N7-C65
 with sigma of 0.02
 C75-C76 \\sim C70-C69 \\sim C81-C82 \\sim C72-C71 \\sim C77-C78 \\sim C66-C65
 with sigma of 0.02
 O1-C66 \\sim O5-C78 \\sim O6-C81 \\sim O2-C69 \\sim O4-C75 \\sim O3-C72
 with sigma of 0.02
 O2-C68 \\sim O1-C67 \\sim O6-C80 \\sim O4-C74 \\sim O3-C73 \\sim O5-C79
 with sigma of 0.02
 C67-C68 \\sim C79-C80 \\sim C74-C73
 with sigma of 0.02
 K1-O2 \\sim K1-O1 \\sim K1-O5 \\sim K1-O4 \\sim K1-O6
 with sigma of 0.02
 K1-N8 \\sim K1-N7
 with sigma of 0.02
 C95B-C98B \\sim C95A-C98A
 with sigma of 0.02
3. Rigid bond restraints
 C49B, C49A, C45A, C59A, C51A, C50A, C45B, C54A, C51B, C50B, C48B, C48A, C60A,
 C52A, C47A, C47B, C46A, C46B, C53B, C52B
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C58A, C55B, C60A, C59A, C56A, C64B, C61B, C57A, C62B, C55A, C60B, C59B, C58A,
 C64A, C61A, C58B, C57B, C62A
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C58A, C55B, C60A, C59A, C56A, C64B, C61B, C57A, C62B, C55A, C60B, C59B, C56B,
 C64A, C61A, C58B, C57B, C62A, C63A, C63B
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C48B, C48A, C49B, C49A, C45A, C53A, C54B, C52A, C51A, C50A, C47A, C47B, C46A,
 C46B, C45B, C53B, C54A, C51B, C50B, C52B
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C48B, C48A, C49B, C49A, C45A, C53A, C54B, C52A, C51A, C50A, C47A, C47B, C46A,
 C46B, C45B, C53B, C54A, C51B, C50B, C52B
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 K1, O2, O5, N7, O1, O3, C65, H65A, H65B, C68, H68A, H68B, C71, H71A, H71B,
 C69, H69A, H69B, C66, H66A, H66B, C72, H72A, H72B, O4, C78, H78A, H78B, C77,
 H77A, H77B, C75, H75A, H75B, C67, H67A, H67B, C70, C79, H79A, H79B, N8, C73,
 H73A, H73B, C74, H74A, H74B, C80, H80A, H80B, C76, H76A, H76B, O6, C81, C82
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C111, C109, C112, O13, C110
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 O13, C110, C109, C111, C112
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C99, C100, C101, C102, O11, C103
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C95B, C96B, C97B, C98B, O10B, C95A, C96A, C97A, C98A, O10A
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 O8, C89, C87, C90, C88, O12, C104, C105, C107, C106, O11, C99, C100, C101,
 C102, O9B, C93B, C92B, C91B, C94B, O7, C85, C86, C83, C84, O10B, C95B, C97B,
 C96B, C98B
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C91B, C92B, C93B, C94B, O9B, O9A, C94A, C93A, C92A, C91A
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
C58A \\sim C55B \\sim C60A \\sim C59A \\sim C56A \\sim C64B \\sim C61B \\sim
C57A \\sim C62B \\sim C55A \\sim C60B \\sim C59B \\sim C56B \\sim C61A \\sim
C58B \\sim C57B \\sim C62A \\sim C63A \\sim C64A: within 2A with sigma of 0.02
and sigma for terminal atoms of 0.04
C58A \\sim C55B \\sim C60A \\sim C59A \\sim C56A \\sim C64B \\sim C61B \\sim
C57A \\sim C55A \\sim C60B \\sim C59B \\sim C56B \\sim C64A \\sim C61A \\sim
C58B \\sim C57B \\sim C62A \\sim C63A \\sim C63B \\sim C62B: within 2A with
sigma of 0.02 and sigma for terminal atoms of 0.04
C48B \\sim C48A \\sim C49B \\sim C49A \\sim C45A \\sim C53A \\sim C54B \\sim
C52A \\sim C51A \\sim C50A \\sim C47A \\sim C47B \\sim C46A \\sim C46B \\sim
C45B \\sim C53B \\sim C54A \\sim C51B \\sim C50B \\sim C52B: within 2A with
sigma of 0.02 and sigma for terminal atoms of 0.04
K1 \\sim O2 \\sim O5 \\sim N7 \\sim O1 \\sim O3 \\sim C65 \\sim H65A \\sim H65B
\\sim C68 \\sim H68A \\sim H68B \\sim C71 \\sim H71A \\sim H71B \\sim C69 \\sim
H69A \\sim H69B \\sim C66 \\sim H66A \\sim H66B \\sim C72 \\sim H72A \\sim H72B
\\sim O4 \\sim C78 \\sim H78A \\sim H78B \\sim C77 \\sim H77A \\sim H77B \\sim
C75 \\sim H75A \\sim H75B \\sim C67 \\sim H67A \\sim C70 \\sim C79 \\sim H79A
\\sim H79B \\sim N8 \\sim C73 \\sim H73A \\sim H73B \\sim C74 \\sim H74A \\sim
H74B \\sim C80 \\sim H80A \\sim H80B \\sim C76 \\sim H76A \\sim H76B \\sim O6
\\sim C81 \\sim C82 \\sim H67B: within 1.7A with sigma of 0.04 and sigma for
terminal atoms of 0.08
C111 \\sim C109 \\sim C112 \\sim O13 \\sim C110: within 1.7A with sigma of 0.04
and sigma for terminal atoms of 0.08
C99 \\sim C100 \\sim C101 \\sim C102 \\sim O11 \\sim C103: within 1.7A with
sigma of 0.04 and sigma for terminal atoms of 0.08
C95B \\sim C96B \\sim C97B \\sim C98B \\sim O10B \\sim C95A \\sim C96A \\sim
C97A \\sim C98A \\sim O10A: within 1.7A with sigma of 0.04 and sigma for
terminal atoms of 0.08
O12 \\sim C104 \\sim C105 \\sim C107 \\sim C106 \\sim O11 \\sim C99 \\sim C100
\\sim C101 \\sim C102 \\sim O7 \\sim C85 \\sim C86 \\sim C83 \\sim C84 \\sim
O9B \\sim C93B \\sim C92B \\sim C91B \\sim C94B \\sim O10B \\sim C95B \\sim
C97B \\sim C96B \\sim C98B \\sim O8 \\sim C89 \\sim C87 \\sim C90 \\sim C88:
within 1.7A with sigma of 0.04 and sigma for terminal atoms of 0.08
C91B \\sim C92B \\sim C93B \\sim C94B \\sim O9B \\sim O9A \\sim C94A \\sim C93A
\\sim C92A \\sim C91A: within 1.7A with sigma of 0.04 and sigma for terminal
atoms of 0.08
5. Same fragment restrains
{C91B, C92B, C93B, C94B, O9B}
as
{O9A, C94A, C93A, C92A, C91A}
{C95A, C96A, C97A, C98A, O10A}
as
{C95B, C96B, C97B, C98B, O10B}
6. Others
 Fixed Sof: C45A(0.5) C46A(0.5) C47A(0.5) C48A(0.5) C49A(0.5) C50A(0.5)
 H50A(0.5) H50B(0.5) H50C(0.5) C51A(0.5) H51A(0.5) H51B(0.5) H51C(0.5)
 C52A(0.5) H52A(0.5) H52B(0.5) H52C(0.5) C53A(0.5) H53A(0.5) H53B(0.5)
 H53C(0.5) C54A(0.5) H54A(0.5) H54B(0.5) H54C(0.5) C55A(0.5) C56A(0.5)
 C57A(0.5) C58A(0.5) C59A(0.5) C60A(0.5) H60A(0.5) H60B(0.5) H60C(0.5)
 C61A(0.5) H61A(0.5) H61B(0.5) H61C(0.5) C62A(0.5) H62A(0.5) H62B(0.5)
 H62C(0.5) C63A(0.5) H63A(0.5) H63B(0.5) H63C(0.5) C64A(0.5) H64A(0.5)
 H64B(0.5) H64C(0.5) C45B(0.5) C46B(0.5) C47B(0.5) C48B(0.5) C49B(0.5)
 C50B(0.5) H50D(0.5) H50E(0.5) H50F(0.5) C51B(0.5) H51D(0.5) H51E(0.5)
 H51F(0.5) C52B(0.5) H52D(0.5) H52E(0.5) H52F(0.5) C53B(0.5) H53D(0.5)
 H53E(0.5) H53F(0.5) C54B(0.5) H54D(0.5) H54E(0.5) H54F(0.5) C55B(0.5)
 C56B(0.5) C57B(0.5) C58B(0.5) C59B(0.5) C60B(0.5) H60D(0.5) H60E(0.5)
 H60F(0.5) C61B(0.5) H61D(0.5) H61E(0.5) H61F(0.5) C62B(0.5) H62D(0.5)
 H62E(0.5) H62F(0.5) C63B(0.5) H63D(0.5) H63E(0.5) H63F(0.5) C64B(0.5)
 H64D(0.5) H64E(0.5) H64F(0.5) O9A(0.5) C94A(0.5) H94A(0.5) H94B(0.5) C93A(0.5)
 H93A(0.5) H93B(0.5) C92A(0.5) H92A(0.5) H92B(0.5) C91A(0.5) H91A(0.5)
 H91B(0.5) C91B(0.5) H91C(0.5) H91D(0.5) C92B(0.5) H92C(0.5) H92D(0.5)
 C93B(0.5) H93C(0.5) H93D(0.5) C94B(0.5) H94C(0.5) H94D(0.5) O9B(0.5) H10E(0.5)
 H10F(0.5) H10C(0.5) H10D(0.5) C103(0.5) H10G(0.5) H10H(0.5) C102(0.5)
 H10I(0.5) H10J(0.5) C95B(0.5) H95A(0.5) H95B(0.5) C96B(0.5) H96A(0.5)
 H96B(0.5) C97B(0.5) H97A(0.5) H97B(0.5) C98B(0.5) H98A(0.5) H98B(0.5)
 O10B(0.5) C95A(0.5) H95C(0.5) H95D(0.5) C96A(0.5) H96C(0.5) H96D(0.5)
 C97A(0.5) H97C(0.5) H97D(0.5) C98A(0.5) H98C(0.5) H98D(0.5) O10A(0.5)
7.a Secondary CH2 refined with riding coordinates:
 C65(H65A,H65B), C66(H66A,H66B), C67(H67A,H67B), C68(H68A,H68B), C69(H69A,
 H69B), C70(H70A,H70B), C71(H71A,H71B), C72(H72A,H72B), C73(H73A,H73B),
 C74(H74A,H74B), C75(H75A,H75B), C76(H76A,H76B), C77(H77A,H77B), C78(H78A,H78B),
  C79(H79A,H79B), C80(H80A,H80B), C81(H81A,H81B), C82(H82A,H82B), C87(H87A,
 H87B), C88(H88A,H88B), C89(H89A,H89B), C90(H90A,H90B), C94A(H94A,H94B),
 C93A(H93A,H93B), C92A(H92A,H92B), C91A(H91A,H91B), C91B(H91C,H91D), C92B(H92C,
 H92D), C93B(H93C,H93D), C94B(H94C,H94D), C99(H99A,H99B), C100(H10A,H10B),
 C101(H10E,H10F), C101(H10C,H10D), C103(H10G,H10H), C102(H10I,H10J), C104(H10K,
 H10L), C105(H10M,H10N), C106(H10O,H10P), C107(H10Q,H10R), C83(H83A,H83B),
 C84(H84A,H84B), C85(H85A,H85B), C86(H86A,H86B), C95B(H95A,H95B), C96B(H96A,
 H96B), C97B(H97A,H97B), C98B(H98A,H98B), C95A(H95C,H95D), C96A(H96C,H96D),
 C97A(H97C,H97D), C98A(H98C,H98D)
7.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C11(H11), C12(H12), C13(H13), C14(H14),
 C15(H15), C16(H16), C17(H17), C18(H18), C20(H20), C21(H21), C22(H22), C23(H23)
7.c Idealised Me refined as rotating group:
 C30(H30A,H30B,H30C), C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C33(H33A,H33B,
 H33C), C34(H34A,H34B,H34C), C40(H40A,H40B,H40C), C41(H41A,H41B,H41C), C42(H42A,
 H42B,H42C), C43(H43A,H43B,H43C), C44(H44A,H44B,H44C), C50A(H50A,H50B,H50C),
 C51A(H51A,H51B,H51C), C52A(H52A,H52B,H52C), C53A(H53A,H53B,H53C), C54A(H54A,
 H54B,H54C), C60A(H60A,H60B,H60C), C61A(H61A,H61B,H61C), C62A(H62A,H62B,H62C),
 C63A(H63A,H63B,H63C), C64A(H64A,H64B,H64C), C50B(H50D,H50E,H50F), C51B(H51D,
 H51E,H51F), C52B(H52D,H52E,H52F), C53B(H53D,H53E,H53F), C54B(H54D,H54E,H54F),
 C60B(H60D,H60E,H60F), C61B(H61D,H61E,H61F), C62B(H62D,H62E,H62F), C63B(H63D,
 H63E,H63F), C64B(H64D,H64E,H64F)
;
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.451(14)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         22271
_refine_ls_number_parameters     1492
_refine_ls_number_restraints     1968
_refine_ls_R_factor_all          0.0753
_refine_ls_R_factor_gt           0.0511
_refine_ls_wR_factor_ref         0.1351
_refine_ls_wR_factor_gt          0.1190
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_restrained_S_all      1.023
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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 0.52186(2) 0.60128(2) 0.53193(2) 0.03753(12) Uani 1 1 d . . . . .
Dy2 Dy 0.77914(2) 0.38579(2) 0.63924(2) 0.05032(16) Uani 1 1 d . . . . .
N1 N 0.5749(4) 0.5925(3) 0.6582(5) 0.0381(18) Uani 1 1 d . . . . .
N2 N 0.6043(4) 0.5351(3) 0.5665(5) 0.033(2) Uani 1 1 d . . . . .
N3 N 0.5383(4) 0.5570(3) 0.4343(4) 0.0378(18) Uani 1 1 d . . . . .
N4 N 0.7246(4) 0.3991(4) 0.7220(5) 0.047(2) Uani 1 1 d . . . . .
N5 N 0.6996(4) 0.4541(3) 0.6064(5) 0.035(2) Uani 1 1 d . . . . .
N6 N 0.7700(4) 0.4308(4) 0.5304(5) 0.044(2) Uani 1 1 d . . . . .
C1 C 0.5662(6) 0.6256(4) 0.7042(6) 0.044(2) Uani 1 1 d . . . . .
H1 H 0.5312 0.6499 0.6876 0.053 Uiso 1 1 calc R U . . .
C2 C 0.6034(6) 0.6275(4) 0.7732(6) 0.048(3) Uani 1 1 d . . . . .
H2 H 0.5933 0.6513 0.8034 0.057 Uiso 1 1 calc R U . . .
C3 C 0.6561(5) 0.5941(4) 0.7979(5) 0.042(2) Uani 1 1 d . . . . .
H3 H 0.6846 0.5959 0.8449 0.050 Uiso 1 1 calc R U . . .
C4 C 0.6663(5) 0.5583(4) 0.7532(5) 0.039(2) Uani 1 1 d . . . . .
H4 H 0.7019 0.5346 0.7699 0.046 Uiso 1 1 calc R U . . .
C5 C 0.6254(5) 0.5559(4) 0.6834(5) 0.035(2) Uani 1 1 d . . . . .
C6 C 0.6336(5) 0.5199(4) 0.6341(5) 0.034(2) Uani 1 1 d . . . . .
C7 C 0.6705(5) 0.4719(4) 0.6503(5) 0.035(2) Uani 1 1 d . . . . .
C8 C 0.6818(5) 0.4780(4) 0.5431(5) 0.035(2) Uani 1 1 d . . . . .
C9 C 0.6239(5) 0.5104(4) 0.5190(5) 0.034(2) Uani 1 1 d . . . . .
C10 C 0.5830(5) 0.5172(4) 0.4477(5) 0.036(2) Uani 1 1 d . . . . .
C11 C 0.5836(5) 0.4829(4) 0.3939(5) 0.039(2) Uani 1 1 d . . . . .
H11 H 0.6137 0.4544 0.4038 0.047 Uiso 1 1 calc R U . . .
C12 C 0.5407(5) 0.4908(4) 0.3269(5) 0.043(2) Uani 1 1 d . . . . .
H12 H 0.5402 0.4675 0.2907 0.052 Uiso 1 1 calc R U . . .
C13 C 0.4986(5) 0.5329(5) 0.3136(5) 0.045(2) Uani 1 1 d . . . . .
H13 H 0.4700 0.5402 0.2677 0.054 Uiso 1 1 calc R U . . .
C14 C 0.4985(5) 0.5641(4) 0.3674(5) 0.044(2) Uani 1 1 d . . . . .
H14 H 0.4685 0.5927 0.3574 0.053 Uiso 1 1 calc R U . . .
C15 C 0.7329(7) 0.3678(5) 0.7773(7) 0.058(3) Uani 1 1 d . . . . .
H15 H 0.7651 0.3409 0.7871 0.069 Uiso 1 1 calc R U . . .
C16 C 0.6987(7) 0.3716(5) 0.8203(6) 0.058(3) Uani 1 1 d . . . . .
H16 H 0.7084 0.3495 0.8599 0.070 Uiso 1 1 calc R U . . .
C17 C 0.6491(6) 0.4088(4) 0.8043(6) 0.048(3) Uani 1 1 d . . . . .
H17 H 0.6227 0.4114 0.8315 0.058 Uiso 1 1 calc R U . . .
C18 C 0.6391(5) 0.4417(4) 0.7489(5) 0.042(2) Uani 1 1 d . . . . .
H18 H 0.6052 0.4671 0.7379 0.050 Uiso 1 1 calc R U . . .
C19 C 0.6777(5) 0.4388(4) 0.7072(5) 0.037(2) Uani 1 1 d . . . . .
C20 C 0.8098(6) 0.4223(5) 0.4942(6) 0.053(3) Uani 1 1 d . . . . .
H20 H 0.8387 0.3930 0.5075 0.064 Uiso 1 1 calc R U . . .
C21 C 0.8111(6) 0.4525(5) 0.4407(7) 0.059(3) Uani 1 1 d . . . . .
H21 H 0.8402 0.4445 0.4178 0.071 Uiso 1 1 calc R U . . .
C22 C 0.7696(6) 0.4950(4) 0.4198(6) 0.050(3) Uani 1 1 d . . . . .
H22 H 0.7711 0.5178 0.3839 0.060 Uiso 1 1 calc R U . . .
C23 C 0.7258(5) 0.5043(4) 0.4518(5) 0.043(2) Uani 1 1 d . . . . .
H23 H 0.6966 0.5332 0.4374 0.052 Uiso 1 1 calc R U . . .
C24 C 0.7242(5) 0.4707(4) 0.5061(5) 0.037(2) Uani 1 1 d . . . . .
C25 C 0.4458(5) 0.5289(5) 0.5602(7) 0.058(3) Uani 1 1 d . . . . .
C26 C 0.4221(6) 0.5785(6) 0.5761(7) 0.058(3) Uani 1 1 d . . . . .
C27 C 0.3948(6) 0.6053(5) 0.5149(8) 0.056(3) Uani 1 1 d . . . . .
C28 C 0.3968(5) 0.5750(5) 0.4606(7) 0.050(3) Uani 1 1 d . . . . .
C29 C 0.4288(6) 0.5276(5) 0.4877(8) 0.048(3) Uani 1 1 d . . . . .
C30 C 0.4778(6) 0.4855(6) 0.6114(8) 0.069(4) Uani 1 1 d . . . . .
H30A H 0.4459 0.4581 0.6093 0.103 Uiso 1 1 calc R U . . .
H30B H 0.4954 0.5004 0.6583 0.103 Uiso 1 1 calc R U . . .
H30C H 0.5131 0.4698 0.5997 0.103 Uiso 1 1 calc R U . . .
C31 C 0.4183(7) 0.5931(7) 0.6448(8) 0.079(4) Uani 1 1 d . . . . .
H31A H 0.4470 0.5700 0.6810 0.119 Uiso 1 1 calc R U . . .
H31B H 0.3737 0.5890 0.6426 0.119 Uiso 1 1 calc R U . . .
H31C H 0.4319 0.6301 0.6556 0.119 Uiso 1 1 calc R U . . .
C32 C 0.3536(7) 0.6568(6) 0.5038(11) 0.085(5) Uani 1 1 d . . . . .
H32A H 0.3755 0.6822 0.5406 0.128 Uiso 1 1 calc R U . . .
H32B H 0.3109 0.6482 0.5051 0.128 Uiso 1 1 calc R U . . .
H32C H 0.3483 0.6723 0.4587 0.128 Uiso 1 1 calc R U . . .
C33 C 0.3608(7) 0.5873(6) 0.3836(8) 0.075(4) Uani 1 1 d . . . . .
H33A H 0.3729 0.6227 0.3732 0.113 Uiso 1 1 calc R U . . .
H33B H 0.3140 0.5860 0.3731 0.113 Uiso 1 1 calc R U . . .
H33C H 0.3725 0.5610 0.3554 0.113 Uiso 1 1 calc R U . . .
C34 C 0.4378(7) 0.4794(5) 0.4496(8) 0.066(4) Uani 1 1 d . . . . .
H34A H 0.4205 0.4864 0.3996 0.099 Uiso 1 1 calc R U . . .
H34B H 0.4148 0.4494 0.4599 0.099 Uiso 1 1 calc R U . . .
H34C H 0.4841 0.4711 0.4644 0.099 Uiso 1 1 calc R U . . .
C35 C 0.6075(6) 0.6833(4) 0.5738(7) 0.044(3) Uani 1 1 d . . . . .
C36 C 0.5444(6) 0.7073(4) 0.5603(7) 0.055(3) Uani 1 1 d . . . . .
C37 C 0.5103(6) 0.7056(5) 0.4893(7) 0.053(3) Uani 1 1 d . . . . .
C38 C 0.5503(7) 0.6830(4) 0.4579(7) 0.059(3) Uani 1 1 d . . . . .
C39 C 0.6091(6) 0.6685(4) 0.5095(6) 0.048(3) Uani 1 1 d . . . . .
C40 C 0.6642(7) 0.6806(5) 0.6396(7) 0.063(3) Uani 1 1 d . . . . .
H40A H 0.6504 0.6887 0.6784 0.094 Uiso 1 1 calc R U . . .
H40B H 0.6968 0.7064 0.6384 0.094 Uiso 1 1 calc R U . . .
H40C H 0.6828 0.6449 0.6454 0.094 Uiso 1 1 calc R U . . .
C41 C 0.5249(8) 0.7370(5) 0.6119(9) 0.075(4) Uani 1 1 d . . . . .
H41A H 0.4836 0.7231 0.6119 0.113 Uiso 1 1 calc R U . . .
H41B H 0.5201 0.7747 0.5996 0.113 Uiso 1 1 calc R U . . .
H41C H 0.5582 0.7327 0.6582 0.113 Uiso 1 1 calc R U . . .
C42 C 0.5356(9) 0.6845(5) 0.3800(7) 0.078(4) Uani 1 1 d . . . . .
H42A H 0.4899 0.6757 0.3552 0.118 Uiso 1 1 calc R U . . .
H42B H 0.5629 0.6587 0.3682 0.118 Uiso 1 1 calc R U . . .
H42C H 0.5444 0.7201 0.3667 0.118 Uiso 1 1 calc R U . . .
C43 C 0.4492(7) 0.7358(6) 0.4513(11) 0.093(6) Uani 1 1 d . . . . .
H43A H 0.4208 0.7141 0.4130 0.140 Uiso 1 1 calc R U . . .
H43B H 0.4599 0.7687 0.4329 0.140 Uiso 1 1 calc R U . . .
H43C H 0.4270 0.7441 0.4832 0.140 Uiso 1 1 calc R U . . .
C44 C 0.6660(6) 0.6418(5) 0.4985(7) 0.058(3) Uani 1 1 d . . . . .
H44A H 0.6758 0.6083 0.5242 0.087 Uiso 1 1 calc R U . . .
H44B H 0.7039 0.6651 0.5152 0.087 Uiso 1 1 calc R U . . .
H44C H 0.6550 0.6348 0.4490 0.087 Uiso 1 1 calc R U . . .
C45A C 0.6800(19) 0.3143(16) 0.5852(17) 0.068(5) Uani 0.5 1 d D U P A 1
C46A C 0.707(2) 0.322(2) 0.534(2) 0.060(5) Uani 0.5 1 d D U P A 1
C47A C 0.771(2) 0.301(3) 0.557(2) 0.062(5) Uani 0.5 1 d D U P A 1
C48A C 0.7761(18) 0.2741(15) 0.618(2) 0.065(6) Uani 0.5 1 d D U P A 1
C49A C 0.7239(16) 0.2842(16) 0.6390(18) 0.069(6) Uani 0.5 1 d D U P A 1
C50A C 0.6134(19) 0.3338(18) 0.585(3) 0.098(10) Uani 0.5 1 d . U P A 1
H50A H 0.5904 0.3042 0.5963 0.146 Uiso 0.5 1 calc R U P A 1
H50B H 0.5875 0.3475 0.5387 0.146 Uiso 0.5 1 calc R U P A 1
H50C H 0.6201 0.3621 0.6192 0.146 Uiso 0.5 1 calc R U P A 1
C51A C 0.721(2) 0.2568(19) 0.702(2) 0.095(10) Uani 0.5 1 d . U P A 1
H51A H 0.6793 0.2644 0.7068 0.142 Uiso 0.5 1 calc R U P A 1
H51B H 0.7562 0.2696 0.7436 0.142 Uiso 0.5 1 calc R U P A 1
H51C H 0.7253 0.2184 0.6979 0.142 Uiso 0.5 1 calc R U P A 1
C52A C 0.832(2) 0.2385(18) 0.656(3) 0.090(12) Uani 0.5 1 d . U P A 1
H52A H 0.8324 0.2320 0.7031 0.136 Uiso 0.5 1 calc R U P A 1
H52B H 0.8723 0.2554 0.6589 0.136 Uiso 0.5 1 calc R U P A 1
H52C H 0.8268 0.2047 0.6313 0.136 Uiso 0.5 1 calc R U P A 1
C53A C 0.810(2) 0.2888(19) 0.515(2) 0.075(9) Uani 0.5 1 d . U P A 1
H53A H 0.8173 0.3216 0.4931 0.112 Uiso 0.5 1 calc R U P A 1
H53B H 0.7867 0.2634 0.4782 0.112 Uiso 0.5 1 calc R U P A 1
H53C H 0.8515 0.2737 0.5439 0.112 Uiso 0.5 1 calc R U P A 1
C54A C 0.674(2) 0.3414(15) 0.4553(19) 0.086(10) Uani 0.5 1 d . U P A 1
H54A H 0.6430 0.3148 0.4283 0.128 Uiso 0.5 1 calc R U P A 1
H54B H 0.7074 0.3467 0.4352 0.128 Uiso 0.5 1 calc R U P A 1
H54C H 0.6515 0.3750 0.4543 0.128 Uiso 0.5 1 calc R U P A 1
C55A C 0.859(4) 0.4500(16) 0.733(2) 0.056(5) Uani 0.5 1 d D U P A 1
C56A C 0.8743(16) 0.4012(12) 0.7668(14) 0.066(5) Uani 0.5 1 d D U P A 1
C57A C 0.9070(16) 0.3725(13) 0.7317(16) 0.075(5) Uani 0.5 1 d D U P A 1
C58A C 0.9065(17) 0.3999(11) 0.6722(16) 0.059(5) Uani 0.5 1 d D U P A 1
C59A C 0.879(2) 0.4484(10) 0.6763(18) 0.061(5) Uani 0.5 1 d D U P A 1
C60A C 0.8269(13) 0.4971(12) 0.7559(15) 0.064(6) Uani 0.5 1 d D U P A 1
H60A H 0.7879 0.5079 0.7173 0.097 Uiso 0.5 1 calc R U P A 1
H60B H 0.8575 0.5268 0.7694 0.097 Uiso 0.5 1 calc R U P A 1
H60C H 0.8152 0.4866 0.7954 0.097 Uiso 0.5 1 calc R U P A 1
C61A C 0.8758(16) 0.3918(17) 0.8405(14) 0.087(9) Uani 0.5 1 d D U P A 1
H61A H 0.9146 0.4083 0.8740 0.131 Uiso 0.5 1 calc R U P A 1
H61B H 0.8766 0.3536 0.8495 0.131 Uiso 0.5 1 calc R U P A 1
H61C H 0.8372 0.4074 0.8453 0.131 Uiso 0.5 1 calc R U P A 1
C62A C 0.943(2) 0.3252(16) 0.775(2) 0.110(11) Uani 0.5 1 d D U P A 1
H62A H 0.9817 0.3379 0.8133 0.165 Uiso 0.5 1 calc R U P A 1
H62B H 0.9565 0.3008 0.7461 0.165 Uiso 0.5 1 calc R U P A 1
H62C H 0.9147 0.3066 0.7946 0.165 Uiso 0.5 1 calc R U P A 1
C63A C 0.9497(19) 0.3739(17) 0.638(2) 0.090(9) Uani 0.5 1 d D U P A 1
H63A H 0.9618 0.3382 0.6568 0.135 Uiso 0.5 1 calc R U P A 1
H63B H 0.9889 0.3953 0.6471 0.135 Uiso 0.5 1 calc R U P A 1
H63C H 0.9261 0.3717 0.5877 0.135 Uiso 0.5 1 calc R U P A 1
C64A C 0.8750(14) 0.4981(11) 0.6333(15) 0.063(6) Uani 0.5 1 d D U P A 1
H64A H 0.8937 0.4908 0.5981 0.095 Uiso 0.5 1 calc R U P A 1
H64B H 0.8992 0.5267 0.6636 0.095 Uiso 0.5 1 calc R U P A 1
H64C H 0.8296 0.5087 0.6106 0.095 Uiso 0.5 1 calc R U P A 1
C45B C 0.6910(17) 0.3111(16) 0.6111(15) 0.063(5) Uani 0.5 1 d D U P A 2
C46B C 0.7475(15) 0.2850(16) 0.6542(18) 0.065(5) Uani 0.5 1 d D U P A 2
C47B C 0.7945(18) 0.2840(16) 0.6229(19) 0.067(6) Uani 0.5 1 d D U P A 2
C48B C 0.759(2) 0.299(3) 0.554(2) 0.064(5) Uani 0.5 1 d D U P A 2
C49B C 0.698(2) 0.322(2) 0.546(2) 0.060(5) Uani 0.5 1 d D U P A 2
C50B C 0.6262(18) 0.3204(16) 0.6206(18) 0.071(8) Uani 0.5 1 d . U P A 2
H50D H 0.6311 0.3124 0.6686 0.107 Uiso 0.5 1 calc R U P A 2
H50E H 0.5930 0.2973 0.5891 0.107 Uiso 0.5 1 calc R U P A 2
H50F H 0.6132 0.3575 0.6103 0.107 Uiso 0.5 1 calc R U P A 2
C51B C 0.758(2) 0.2562(17) 0.722(2) 0.084(10) Uani 0.5 1 d . U P A 2
H51D H 0.7989 0.2673 0.7575 0.126 Uiso 0.5 1 calc R U P A 2
H51E H 0.7582 0.2179 0.7151 0.126 Uiso 0.5 1 calc R U P A 2
H51F H 0.7221 0.2651 0.7381 0.126 Uiso 0.5 1 calc R U P A 2
C52B C 0.853(2) 0.2486(19) 0.648(3) 0.078(10) Uani 0.5 1 d . U P A 2
H52D H 0.8762 0.2503 0.6159 0.117 Uiso 0.5 1 calc R U P A 2
H52E H 0.8397 0.2120 0.6514 0.117 Uiso 0.5 1 calc R U P A 2
H52F H 0.8821 0.2605 0.6942 0.117 Uiso 0.5 1 calc R U P A 2
C53B C 0.786(2) 0.2961(19) 0.494(2) 0.070(8) Uani 0.5 1 d . U P A 2
H53D H 0.8279 0.3139 0.5086 0.105 Uiso 0.5 1 calc R U P A 2
H53E H 0.7554 0.3134 0.4530 0.105 Uiso 0.5 1 calc R U P A 2
H53F H 0.7908 0.2588 0.4841 0.105 Uiso 0.5 1 calc R U P A 2
C54B C 0.6548(18) 0.3464(13) 0.4811(16) 0.065(7) Uani 0.5 1 d . U P A 2
H54D H 0.6263 0.3720 0.4915 0.098 Uiso 0.5 1 calc R U P A 2
H54E H 0.6286 0.3188 0.4502 0.098 Uiso 0.5 1 calc R U P A 2
H54F H 0.6808 0.3646 0.4585 0.098 Uiso 0.5 1 calc R U P A 2
C55B C 0.863(4) 0.4455(16) 0.741(2) 0.058(5) Uani 0.5 1 d D U P A 2
C56B C 0.8903(17) 0.3945(12) 0.7549(15) 0.068(5) Uani 0.5 1 d D U P A 2
C57B C 0.9146(18) 0.3793(12) 0.7041(18) 0.081(5) Uani 0.5 1 d D U P A 2
C58B C 0.9107(17) 0.4266(13) 0.6690(17) 0.078(5) Uani 0.5 1 d D U P A 2
C59B C 0.870(2) 0.4646(12) 0.6807(19) 0.066(5) Uani 0.5 1 d D U P A 2
C60B C 0.8411(18) 0.4703(18) 0.796(2) 0.098(10) Uani 0.5 1 d D U P A 2
H60D H 0.7937 0.4698 0.7799 0.147 Uiso 0.5 1 calc R U P A 2
H60E H 0.8566 0.5069 0.8047 0.147 Uiso 0.5 1 calc R U P A 2
H60F H 0.8589 0.4499 0.8394 0.147 Uiso 0.5 1 calc R U P A 2
C61B C 0.899(2) 0.3607(17) 0.8201(16) 0.108(10) Uani 0.5 1 d D U P A 2
H61D H 0.9439 0.3638 0.8528 0.161 Uiso 0.5 1 calc R U P A 2
H61E H 0.8895 0.3235 0.8066 0.161 Uiso 0.5 1 calc R U P A 2
H61F H 0.8695 0.3734 0.8422 0.161 Uiso 0.5 1 calc R U P A 2
C62B C 0.953(2) 0.3272(16) 0.729(2) 0.124(12) Uani 0.5 1 d D U P A 2
H62D H 0.9838 0.3319 0.7769 0.185 Uiso 0.5 1 calc R U P A 2
H62E H 0.9762 0.3181 0.6989 0.185 Uiso 0.5 1 calc R U P A 2
H62F H 0.9226 0.2986 0.7286 0.185 Uiso 0.5 1 calc R U P A 2
C63B C 0.9415(19) 0.408(2) 0.617(2) 0.114(11) Uani 0.5 1 d D U P A 2
H63D H 0.9886 0.4118 0.6383 0.170 Uiso 0.5 1 calc R U P A 2
H63E H 0.9248 0.4291 0.5751 0.170 Uiso 0.5 1 calc R U P A 2
H63F H 0.9307 0.3704 0.6061 0.170 Uiso 0.5 1 calc R U P A 2
C64B C 0.850(2) 0.5210(13) 0.654(3) 0.127(13) Uani 0.5 1 d D U P A 2
H64D H 0.8139 0.5325 0.6680 0.191 Uiso 0.5 1 calc R U P A 2
H64E H 0.8355 0.5214 0.6034 0.191 Uiso 0.5 1 calc R U P A 2
H64F H 0.8865 0.5450 0.6738 0.191 Uiso 0.5 1 calc R U P A 2
K1 K 0.13894(15) 0.41456(14) 0.4118(2) 0.0853(11) Uani 1 1 d D U . . .
O1 O 0.2721(5) 0.4198(5) 0.4805(6) 0.095(3) Uani 1 1 d D U . . .
O2 O 0.1985(6) 0.5139(5) 0.4384(8) 0.110(4) Uani 1 1 d D U . . .
O3 O 0.1186(8) 0.3666(5) 0.5258(10) 0.138(5) Uani 1 1 d D U . . .
O4 O 0.0358(8) 0.4477(7) 0.4478(14) 0.199(7) Uani 1 1 d D U . . .
O5 O 0.1307(8) 0.3216(6) 0.3329(9) 0.140(5) Uani 1 1 d D U . . .
O6 O 0.0815(9) 0.4194(8) 0.2686(8) 0.193(6) Uani 1 1 d D U . . .
N7 N 0.2147(7) 0.3172(6) 0.4772(8) 0.096(3) Uani 1 1 d D U . . .
N8 N 0.0638(9) 0.5095(8) 0.3417(16) 0.191(6) Uani 1 1 d D U . . .
C65 C 0.2827(8) 0.3268(9) 0.4865(12) 0.115(5) Uani 1 1 d D U . . .
H65A H 0.2871 0.3277 0.4406 0.137 Uiso 1 1 calc R U . . .
H65B H 0.3097 0.2972 0.5133 0.137 Uiso 1 1 calc R U . . .
C66 C 0.3075(10) 0.3795(8) 0.5248(12) 0.132(7) Uani 1 1 d D U . . .
H66A H 0.3003 0.3804 0.5692 0.158 Uiso 1 1 calc R U . . .
H66B H 0.3543 0.3838 0.5345 0.158 Uiso 1 1 calc R U . . .
C67 C 0.2905(10) 0.4708(8) 0.5098(12) 0.131(7) Uani 1 1 d D U . . .
H67A H 0.3383 0.4730 0.5283 0.157 Uiso 1 1 calc R U . . .
H67B H 0.2758 0.4749 0.5493 0.157 Uiso 1 1 calc R U . . .
C68 C 0.2652(8) 0.5142(8) 0.4626(12) 0.120(6) Uani 1 1 d D U . . .
H68A H 0.2815 0.5481 0.4866 0.145 Uiso 1 1 calc R U . . .
H68B H 0.2801 0.5112 0.4232 0.145 Uiso 1 1 calc R U . . .
C69 C 0.1719(10) 0.5547(8) 0.3889(14) 0.142(7) Uani 1 1 d D U . . .
H69A H 0.1806 0.5473 0.3462 0.170 Uiso 1 1 calc R U . . .
H69B H 0.1920 0.5891 0.4080 0.170 Uiso 1 1 calc R U . . .
C70 C 0.0986(11) 0.5573(9) 0.3721(19) 0.181(9) Uani 1 1 d D U . . .
H70A H 0.0909 0.5651 0.4153 0.217 Uiso 1 1 calc R U . . .
H70B H 0.0806 0.5871 0.3397 0.217 Uiso 1 1 calc R U . . .
C71 C 0.2067(10) 0.3059(9) 0.5425(11) 0.114(5) Uani 1 1 d D U . . .
H71A H 0.2354 0.3298 0.5787 0.137 Uiso 1 1 calc R U . . .
H71B H 0.2208 0.2691 0.5564 0.137 Uiso 1 1 calc R U . . .
C72 C 0.1372(10) 0.3127(7) 0.5399(14) 0.123(6) Uani 1 1 d D U . . .
H72A H 0.1076 0.2898 0.5031 0.148 Uiso 1 1 calc R U . . .
H72B H 0.1344 0.3020 0.5847 0.148 Uiso 1 1 calc R U . . .
C73 C 0.0567(12) 0.3768(10) 0.5263(19) 0.173(8) Uani 1 1 d D U . . .
H73A H 0.0555 0.3673 0.5721 0.207 Uiso 1 1 calc R U . . .
H73B H 0.0247 0.3544 0.4909 0.207 Uiso 1 1 calc R U . . .
C74 C 0.0392(15) 0.4323(11) 0.5118(17) 0.201(8) Uani 1 1 d D U . . .
H74A H -0.0034 0.4384 0.5160 0.241 Uiso 1 1 calc R U . . .
H74B H 0.0715 0.4545 0.5471 0.241 Uiso 1 1 calc R U . . .
C75 C 0.0109(15) 0.5012(11) 0.426(2) 0.211(9) Uani 1 1 d D U . . .
H75A H 0.0421 0.5277 0.4546 0.253 Uiso 1 1 calc R U . . .
H75B H -0.0306 0.5061 0.4329 0.253 Uiso 1 1 calc R U . . .
C76 C 0.0006(12) 0.5096(15) 0.348(2) 0.228(9) Uani 1 1 d D U . . .
H76A H -0.0267 0.4809 0.3198 0.273 Uiso 1 1 calc R U . . .
H76B H -0.0216 0.5439 0.3319 0.273 Uiso 1 1 calc R U . . .
C77 C 0.1908(12) 0.2726(8) 0.4314(11) 0.122(5) Uani 1 1 d D U . . .
H77A H 0.1494 0.2607 0.4343 0.147 Uiso 1 1 calc R U . . .
H77B H 0.2221 0.2431 0.4474 0.147 Uiso 1 1 calc R U . . .
C78 C 0.1802(12) 0.2847(8) 0.3557(12) 0.132(6) Uani 1 1 d D U . . .
H78A H 0.2202 0.2991 0.3518 0.159 Uiso 1 1 calc R U . . .
H78B H 0.1680 0.2520 0.3274 0.159 Uiso 1 1 calc R U . . .
C79 C 0.1127(13) 0.3376(12) 0.2632(11) 0.162(7) Uani 1 1 d D U . . .
H79A H 0.1054 0.3050 0.2347 0.195 Uiso 1 1 calc R U . . .
H79B H 0.1505 0.3558 0.2585 0.195 Uiso 1 1 calc R U . . .
C80 C 0.0563(15) 0.3719(11) 0.2317(16) 0.218(12) Uani 1 1 d D U . . .
H80A H 0.0454 0.3762 0.1812 0.261 Uiso 1 1 calc R U . . .
H80B H 0.0179 0.3590 0.2406 0.261 Uiso 1 1 calc R U . . .
C81 C 0.0369(18) 0.4602(14) 0.241(2) 0.263(15) Uani 1 1 d D U . . .
H81A H -0.0036 0.4509 0.2478 0.315 Uiso 1 1 calc R U . . .
H81B H 0.0269 0.4610 0.1901 0.315 Uiso 1 1 calc R U . . .
C82 C 0.0562(17) 0.5163(15) 0.2688(18) 0.238(10) Uani 1 1 d D U . . .
H82A H 0.0972 0.5275 0.2641 0.286 Uiso 1 1 calc R U . . .
H82B H 0.0218 0.5423 0.2451 0.286 Uiso 1 1 calc R U . . .
O8 O 0.4823(13) 0.3436(8) 0.6722(17) 0.211(9) Uani 1 1 d D U . . .
C87 C 0.4268(15) 0.3534(14) 0.6926(19) 0.181(10) Uani 1 1 d D U . . .
H87A H 0.4418 0.3675 0.7404 0.218 Uiso 1 1 calc R U . . .
H87B H 0.3979 0.3800 0.6613 0.218 Uiso 1 1 calc R U . . .
C88 C 0.3918(18) 0.3046(14) 0.689(2) 0.212(13) Uani 1 1 d D U . . .
H88A H 0.3527 0.3029 0.6463 0.254 Uiso 1 1 calc R U . . .
H88B H 0.3789 0.3005 0.7298 0.254 Uiso 1 1 calc R U . . .
C89 C 0.4403(19) 0.2635(14) 0.689(3) 0.231(14) Uani 1 1 d D U . . .
H89A H 0.4517 0.2417 0.7311 0.277 Uiso 1 1 calc R U . . .
H89B H 0.4209 0.2398 0.6482 0.277 Uiso 1 1 calc R U . . .
C90 C 0.4989(18) 0.2880(11) 0.685(2) 0.207(12) Uani 1 1 d D U . . .
H90A H 0.5359 0.2833 0.7294 0.248 Uiso 1 1 calc R U . . .
H90B H 0.5102 0.2724 0.6472 0.248 Uiso 1 1 calc R U . . .
O9A O 0.703(3) 0.233(2) 0.318(2) 0.201(14) Uani 0.5 1 d D U P B 1
C94A C 0.635(3) 0.214(3) 0.300(4) 0.187(13) Uani 0.5 1 d D U P B 1
H94A H 0.6269 0.1969 0.3397 0.224 Uiso 0.5 1 calc R U P B 1
H94B H 0.6021 0.2419 0.2795 0.224 Uiso 0.5 1 calc R U P B 1
C93A C 0.640(3) 0.175(3) 0.249(4) 0.197(15) Uani 0.5 1 d D U P B 1
H93A H 0.6125 0.1444 0.2493 0.237 Uiso 0.5 1 calc R U P B 1
H93B H 0.6209 0.1919 0.2025 0.237 Uiso 0.5 1 calc R U P B 1
C92A C 0.704(3) 0.157(2) 0.259(4) 0.203(16) Uani 0.5 1 d D U P B 1
H92A H 0.7060 0.1423 0.2152 0.243 Uiso 0.5 1 calc R U P B 1
H92B H 0.7191 0.1303 0.2959 0.243 Uiso 0.5 1 calc R U P B 1
C91A C 0.739(3) 0.207(2) 0.278(4) 0.183(14) Uani 0.5 1 d D U P B 1
H91A H 0.7368 0.2285 0.2370 0.220 Uiso 0.5 1 calc R U P B 1
H91B H 0.7855 0.2013 0.3074 0.220 Uiso 0.5 1 calc R U P B 1
C91B C 0.734(3) 0.212(3) 0.324(4) 0.204(15) Uani 0.5 1 d D U P C 2
H91C H 0.7667 0.1873 0.3535 0.245 Uiso 0.5 1 calc R U P C 2
H91D H 0.7555 0.2466 0.3242 0.245 Uiso 0.5 1 calc R U P C 2
C92B C 0.708(3) 0.191(3) 0.251(3) 0.187(14) Uani 0.5 1 d D U P C 2
H92C H 0.6957 0.2196 0.2156 0.224 Uiso 0.5 1 calc R U P C 2
H92D H 0.7370 0.1653 0.2417 0.224 Uiso 0.5 1 calc R U P C 2
C93B C 0.652(3) 0.167(3) 0.261(4) 0.181(14) Uani 0.5 1 d D U P C 2
H93C H 0.6124 0.1814 0.2249 0.217 Uiso 0.5 1 calc R U P C 2
H93D H 0.6530 0.1283 0.2509 0.217 Uiso 0.5 1 calc R U P C 2
C94B C 0.645(4) 0.172(2) 0.327(4) 0.201(14) Uani 0.5 1 d D U P C 2
H94C H 0.6629 0.1411 0.3572 0.241 Uiso 0.5 1 calc R U P C 2
H94D H 0.5990 0.1770 0.3217 0.241 Uiso 0.5 1 calc R U P C 2
O9B O 0.683(3) 0.220(2) 0.354(3) 0.220(15) Uani 0.5 1 d D U P C 2
O11 O 0.435(2) 0.3572(13) 0.335(2) 0.297(15) Uani 1 1 d D U . . .
C99 C 0.368(2) 0.3523(15) 0.336(3) 0.284(16) Uani 1 1 d D U . . .
H99A H 0.3557 0.3831 0.3576 0.341 Uiso 1 1 calc R U . . .
H99B H 0.3354 0.3455 0.2892 0.341 Uiso 1 1 calc R U . . .
C100 C 0.383(2) 0.3061(17) 0.379(2) 0.275(16) Uani 1 1 d D U . . .
H10A H 0.3534 0.2768 0.3561 0.329 Uiso 1 1 calc R U . . .
H10B H 0.3778 0.3140 0.4237 0.329 Uiso 1 1 calc R U . . .
C101 C 0.451(2) 0.290(2) 0.392(3) 0.301(17) Uani 1 1 d D U . . .
H10E H 0.4697 0.2656 0.4313 0.362 Uiso 0.5 1 calc R U P D 2
H10F H 0.4587 0.2783 0.3503 0.362 Uiso 0.5 1 calc R U P D 2
H10C H 0.4795 0.3046 0.4375 0.362 Uiso 0.5 1 calc R U P E 1
H10D H 0.4543 0.2513 0.3941 0.362 Uiso 0.5 1 calc R U P E 1
C103 C 0.472(4) 0.310(3) 0.339(4) 0.292(19) Uani 0.5 1 d D U P F 1
H10G H 0.4567 0.2883 0.2959 0.350 Uiso 0.5 1 calc R U P F 1
H10H H 0.5194 0.3157 0.3547 0.350 Uiso 0.5 1 calc R U P F 1
C102 C 0.466(5) 0.345(2) 0.409(3) 0.32(2) Uani 0.5 1 d D U P F 2
H10I H 0.5132 0.3527 0.4290 0.382 Uiso 0.5 1 calc R U P F 2
H10J H 0.4437 0.3607 0.4383 0.382 Uiso 0.5 1 calc R U P F 2
O12 O 0.6735(18) 0.1748(11) 0.516(2) 0.283(14) Uani 1 1 d D U . . .
C104 C 0.604(2) 0.1870(18) 0.491(3) 0.286(16) Uani 1 1 d D U . . .
H10K H 0.5945 0.2254 0.4841 0.344 Uiso 1 1 calc R U . . .
H10L H 0.5785 0.1670 0.4488 0.344 Uiso 1 1 calc R U . . .
C105 C 0.596(3) 0.167(2) 0.552(3) 0.334(19) Uani 1 1 d D U . . .
H10M H 0.5504 0.1661 0.5472 0.401 Uiso 1 1 calc R U . . .
H10N H 0.6212 0.1884 0.5932 0.401 Uiso 1 1 calc R U . . .
C106 C 0.623(3) 0.114(2) 0.557(3) 0.323(19) Uani 1 1 d D U . . .
H10O H 0.6010 0.0929 0.5147 0.387 Uiso 1 1 calc R U . . .
H10P H 0.6217 0.0948 0.5983 0.387 Uiso 1 1 calc R U . . .
C107 C 0.689(3) 0.130(2) 0.564(3) 0.300(17) Uani 1 1 d D U . . .
H10Q H 0.7145 0.1414 0.6121 0.360 Uiso 1 1 calc R U . . .
H10R H 0.7116 0.1019 0.5496 0.360 Uiso 1 1 calc R U . . .
O7 O 0.9035(7) 0.6393(10) 0.7448(10) 0.174(7) Uani 1 1 d D U . . .
C83 C 0.8360(9) 0.6493(13) 0.7217(15) 0.163(10) Uani 1 1 d D U . . .
H83A H 0.8111 0.6204 0.6913 0.196 Uiso 1 1 calc R U . . .
H83B H 0.8250 0.6832 0.6961 0.196 Uiso 1 1 calc R U . . .
C84 C 0.8228(13) 0.6517(16) 0.7855(15) 0.184(11) Uani 1 1 d D U . . .
H84A H 0.7909 0.6243 0.7856 0.221 Uiso 1 1 calc R U . . .
H84B H 0.8056 0.6869 0.7909 0.221 Uiso 1 1 calc R U . . .
C85 C 0.8862(12) 0.6419(13) 0.8418(15) 0.173(10) Uani 1 1 d D U . . .
H85A H 0.8914 0.6651 0.8820 0.208 Uiso 1 1 calc R U . . .
H85B H 0.8895 0.6045 0.8572 0.208 Uiso 1 1 calc R U . . .
C86 C 0.9349(12) 0.6535(13) 0.8132(13) 0.157(9) Uani 1 1 d D U . . .
H86A H 0.9465 0.6916 0.8178 0.188 Uiso 1 1 calc R U . . .
H86B H 0.9744 0.6320 0.8354 0.188 Uiso 1 1 calc R U . . .
C95B C 0.854(3) 0.625(2) 0.537(5) 0.274(18) Uani 0.5 1 d D U P G 2
H95A H 0.8104 0.6081 0.5192 0.329 Uiso 0.5 1 calc R U P G 2
H95B H 0.8693 0.6269 0.5877 0.329 Uiso 0.5 1 calc R U P G 2
C96B C 0.899(2) 0.5952(18) 0.514(4) 0.255(18) Uani 0.5 1 d D U P G 2
H96A H 0.9033 0.5582 0.5312 0.306 Uiso 0.5 1 calc R U P G 2
H96B H 0.8853 0.5952 0.4631 0.306 Uiso 0.5 1 calc R U P G 2
C97B C 0.958(2) 0.625(2) 0.547(6) 0.29(2) Uani 0.5 1 d D U P G 2
H97A H 0.9896 0.6200 0.5238 0.342 Uiso 0.5 1 calc R U P G 2
H97B H 0.9782 0.6187 0.5971 0.342 Uiso 0.5 1 calc R U P G 2
C98B C 0.923(2) 0.675(2) 0.529(6) 0.287(19) Uani 0.5 1 d D U P G 2
H98A H 0.9395 0.6985 0.5702 0.344 Uiso 0.5 1 calc R U P G 2
H98B H 0.9338 0.6920 0.4918 0.344 Uiso 0.5 1 calc R U P G 2
O10B O 0.852(2) 0.675(2) 0.507(4) 0.273(17) Uani 0.5 1 d D U P G 2
C95A C 0.842(2) 0.6332(18) 0.529(5) 0.261(18) Uani 0.5 1 d D U P H 1
H95C H 0.8316 0.6167 0.4828 0.313 Uiso 0.5 1 calc R U P H 1
H95D H 0.8168 0.6151 0.5536 0.313 Uiso 0.5 1 calc R U P H 1
C96A C 0.910(2) 0.631(2) 0.569(4) 0.277(19) Uani 0.5 1 d D U P H 1
H96C H 0.9262 0.5943 0.5779 0.332 Uiso 0.5 1 calc R U P H 1
H96D H 0.9214 0.6503 0.6134 0.332 Uiso 0.5 1 calc R U P H 1
C97A C 0.937(2) 0.658(2) 0.523(5) 0.269(19) Uani 0.5 1 d D U P H 1
H97C H 0.9388 0.6352 0.4849 0.323 Uiso 0.5 1 calc R U P H 1
H97D H 0.9795 0.6748 0.5478 0.323 Uiso 0.5 1 calc R U P H 1
C98A C 0.883(2) 0.6962(18) 0.501(4) 0.246(18) Uani 0.5 1 d D U P H 1
H98C H 0.9013 0.7317 0.5170 0.296 Uiso 0.5 1 calc R U P H 1
H98D H 0.8659 0.6970 0.4496 0.296 Uiso 0.5 1 calc R U P H 1
O10A O 0.8285(19) 0.6884(17) 0.523(4) 0.265(17) Uani 0.5 1 d D U P H 1
O13 O 0.238(3) 0.478(2) 0.253(3) 0.38(2) Uiso 1 1 d D U . . .
C109 C 0.288(4) 0.452(3) 0.234(5) 0.43(3) Uiso 1 1 d D U . . .
C110 C 0.296(4) 0.502(4) 0.201(4) 0.38(3) Uiso 1 1 d D U . . .
C111 C 0.247(4) 0.546(3) 0.186(4) 0.41(3) Uiso 1 1 d D U . . .
C112 C 0.202(2) 0.525(2) 0.216(3) 0.247(18) Uiso 1 1 d D U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 N2 2.387(9) . ?
Dy1 N3 2.451(8) . ?
Dy1 N1 2.456(9) . ?
Dy1 C29 2.678(12) . ?
Dy1 C25 2.690(11) . ?
Dy1 C28 2.708(11) . ?
Dy1 C27 2.710(12) . ?
Dy1 C35 2.728(12) . ?
Dy1 C39 2.736(11) . ?
Dy1 C26 2.743(11) . ?
Dy1 C36 2.746(11) . ?
Dy1 C37 2.758(11) . ?
Dy2 N5 2.382(8) . ?
Dy2 N4 2.453(9) . ?
Dy2 N6 2.464(9) . ?
Dy2 C59A 2.59(4) . ?
Dy2 C45B 2.62(4) . ?
Dy2 C47B 2.63(4) . ?
Dy2 C55A 2.65(7) . ?
Dy2 C49B 2.65(6) . ?
Dy2 C58A 2.68(4) . ?
Dy2 C46B 2.68(4) . ?
Dy2 C55B 2.71(8) . ?
Dy2 C47A 2.71(8) . ?
N1 C1 1.332(12) . ?
N1 C5 1.398(12) . ?
N2 C9 1.362(13) . ?
N2 C6 1.367(13) . ?
N3 C14 1.356(13) . ?
N3 C10 1.365(12) . ?
N4 C15 1.348(15) . ?
N4 C19 1.394(12) . ?
N5 C8 1.364(13) . ?
N5 C7 1.366(12) . ?
N6 C20 1.369(12) . ?
N6 C24 1.389(13) . ?
C1 C2 1.366(16) . ?
C2 C3 1.379(16) . ?
C3 C4 1.369(14) . ?
C4 C5 1.401(14) . ?
C5 C6 1.426(13) . ?
C6 C7 1.431(14) . ?
C7 C19 1.405(13) . ?
C8 C24 1.424(13) . ?
C8 C9 1.447(14) . ?
C9 C10 1.435(14) . ?
C10 C11 1.416(13) . ?
C11 C12 1.381(15) . ?
C12 C13 1.375(15) . ?
C13 C14 1.364(15) . ?
C15 C16 1.368(16) . ?
C16 C17 1.391(17) . ?
C17 C18 1.366(15) . ?
C18 C19 1.422(13) . ?
C20 C21 1.354(17) . ?
C21 C22 1.376(17) . ?
C22 C23 1.379(13) . ?
C23 C24 1.417(14) . ?
C25 C29 1.410(19) . ?
C25 C26 1.439(19) . ?
C25 C30 1.510(17) . ?
C26 C27 1.37(2) . ?
C26 C31 1.501(18) . ?
C27 C28 1.372(18) . ?
C27 C32 1.558(18) . ?
C28 C29 1.400(18) . ?
C28 C33 1.533(19) . ?
C29 C34 1.501(17) . ?
C35 C39 1.395(16) . ?
C35 C36 1.457(17) . ?
C35 C40 1.480(19) . ?
C36 C37 1.388(17) . ?
C36 C41 1.492(16) . ?
C37 C38 1.399(17) . ?
C37 C43 1.503(19) . ?
C38 C39 1.399(18) . ?
C38 C42 1.525(18) . ?
C39 C44 1.520(15) . ?
C45A C49A 1.41(2) . ?
C45A C46A 1.42(2) . ?
C45A C50A 1.55(5) . ?
C46A C47A 1.42(2) . ?
C46A C54A 1.60(5) . ?
C47A C48A 1.41(2) . ?
C47A C53A 1.46(5) . ?
C48A C49A 1.40(2) . ?
C48A C52A 1.50(6) . ?
C49A C51A 1.51(5) . ?
C55A C56A 1.39(2) . ?
C55A C59A 1.408(19) . ?
C55A C60A 1.54(2) . ?
C56A C57A 1.40(2) . ?
C56A C61A 1.53(2) . ?
C57A C58A 1.41(2) . ?
C57A C62A 1.54(2) . ?
C58A C59A 1.39(2) . ?
C58A C63A 1.53(2) . ?
C59A C64A 1.52(2) . ?
C45B C46B 1.41(2) . ?
C45B C49B 1.43(2) . ?
C45B C50B 1.54(5) . ?
C46B C47B 1.41(2) . ?
C46B C51B 1.53(5) . ?
C47B C48B 1.41(2) . ?
C47B C52B 1.51(5) . ?
C48B C49B 1.42(2) . ?
C48B C53B 1.56(5) . ?
C49B C54B 1.47(5) . ?
C55B C59B 1.40(2) . ?
C55B C56B 1.40(2) . ?
C55B C60B 1.53(2) . ?
C56B C57B 1.40(2) . ?
C56B C61B 1.55(2) . ?
C57B C58B 1.38(2) . ?
C57B C62B 1.55(2) . ?
C58B C59B 1.40(2) . ?
C58B C63B 1.54(2) . ?
C59B C64B 1.53(2) . ?
K1 O6 2.771(16) . ?
K1 O1 2.776(10) . ?
K1 O4 2.779(13) . ?
K1 O2 2.792(11) . ?
K1 O5 2.825(14) . ?
K1 O3 2.833(15) . ?
K1 N8 2.977(18) . ?
K1 N7 3.006(14) . ?
O1 C66 1.402(18) . ?
O1 C67 1.417(18) . ?
O2 C68 1.378(17) . ?
O2 C69 1.421(19) . ?
O3 C73 1.399(19) . ?
O3 C72 1.420(17) . ?
O4 C74 1.36(2) . ?
O4 C75 1.47(2) . ?
O5 C78 1.385(19) . ?
O5 C79 1.41(2) . ?
O6 C81 1.40(2) . ?
O6 C80 1.42(2) . ?
N7 C77 1.442(18) . ?
N7 C71 1.455(17) . ?
N7 C65 1.469(17) . ?
N8 C70 1.45(2) . ?
N8 C76 1.46(2) . ?
N8 C82 1.47(2) . ?
C65 C66 1.54(2) . ?
C67 C68 1.44(2) . ?
C69 C70 1.53(2) . ?
C71 C72 1.53(2) . ?
C73 C74 1.46(3) . ?
C75 C76 1.56(2) . ?
C77 C78 1.53(2) . ?
C79 C80 1.47(3) . ?
C81 C82 1.53(2) . ?
O8 C90 1.45(2) . ?
O8 C87 1.46(2) . ?
C87 C88 1.44(2) . ?
C88 C89 1.50(3) . ?
C89 C90 1.46(2) . ?
O9A C91A 1.49(4) . ?
O9A C94A 1.50(4) . ?
C94A C93A 1.47(4) . ?
C93A C92A 1.44(4) . ?
C92A C91A 1.47(4) . ?
C91B O9B 1.48(3) . ?
C91B C92B 1.50(3) . ?
C92B C93B 1.46(3) . ?
C93B C94B 1.45(3) . ?
C94B O9B 1.46(3) . ?
O11 C103 1.43(3) . ?
O11 C102 1.47(3) . ?
O11 C99 1.50(3) . ?
C99 C100 1.44(3) . ?
C100 C101 1.48(3) . ?
C101 C103 1.43(3) . ?
C101 C102 1.43(3) . ?
O12 C107 1.45(3) . ?
O12 C104 1.47(3) . ?
C104 C105 1.42(3) . ?
C105 C106 1.44(3) . ?
C106 C107 1.47(3) . ?
O7 C86 1.38(2) . ?
O7 C83 1.42(2) . ?
C83 C84 1.45(2) . ?
C84 C85 1.49(2) . ?
C85 C86 1.44(2) . ?
C95B O10B 1.40(2) . ?
C95B C96B 1.45(2) . ?
C96B C97B 1.44(2) . ?
C97B C98B 1.46(2) . ?
C98B O10B 1.46(2) . ?
C95A O10A 1.42(2) . ?
C95A C96A 1.44(2) . ?
C96A C97A 1.45(2) . ?
C97A C98A 1.47(2) . ?
C98A O10A 1.45(2) . ?
O13 C109 1.47(3) . ?
O13 C112 1.47(3) . ?
C109 C110 1.47(3) . ?
C110 C111 1.50(3) . ?
C111 C112 1.46(3) . ?

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
N2 Dy1 N3 66.5(3) . . ?
N2 Dy1 N1 66.4(3) . . ?
N3 Dy1 N1 132.8(3) . . ?
N2 Dy1 C29 91.6(3) . . ?
N3 Dy1 C29 74.2(3) . . ?
N1 Dy1 C29 108.2(4) . . ?
N2 Dy1 C25 86.1(3) . . ?
N3 Dy1 C25 99.4(4) . . ?
N1 Dy1 C25 78.6(3) . . ?
C29 Dy1 C25 30.5(4) . . ?
N2 Dy1 C28 120.9(3) . . ?
N3 Dy1 C28 82.5(3) . . ?
N1 Dy1 C28 123.9(3) . . ?
C29 Dy1 C28 30.1(4) . . ?
C25 Dy1 C28 49.8(4) . . ?
N2 Dy1 C27 135.4(4) . . ?
N3 Dy1 C27 111.7(4) . . ?
N1 Dy1 C27 102.4(4) . . ?
C29 Dy1 C27 49.2(4) . . ?
C25 Dy1 C27 49.4(4) . . ?
C28 Dy1 C27 29.3(4) . . ?
N2 Dy1 C35 93.8(4) . . ?
N3 Dy1 C35 108.2(3) . . ?
N1 Dy1 C35 73.8(3) . . ?
C29 Dy1 C35 174.6(4) . . ?
C25 Dy1 C35 149.8(4) . . ?
C28 Dy1 C35 144.7(4) . . ?
C27 Dy1 C35 125.7(3) . . ?
N2 Dy1 C39 88.5(3) . . ?
N3 Dy1 C39 79.4(3) . . ?
N1 Dy1 C39 98.1(3) . . ?
C29 Dy1 C39 151.2(4) . . ?
C25 Dy1 C39 174.5(4) . . ?
C28 Dy1 C39 134.9(4) . . ?
C27 Dy1 C39 136.1(4) . . ?
C35 Dy1 C39 29.6(3) . . ?
N2 Dy1 C26 112.1(4) . . ?
N3 Dy1 C26 124.0(3) . . ?
N1 Dy1 C26 76.0(3) . . ?
C29 Dy1 C26 49.8(4) . . ?
C25 Dy1 C26 30.7(4) . . ?
C28 Dy1 C26 48.8(4) . . ?
C27 Dy1 C26 29.1(4) . . ?
C35 Dy1 C26 127.3(3) . . ?
C39 Dy1 C26 153.1(4) . . ?
N2 Dy1 C36 123.9(4) . . ?
N3 Dy1 C36 123.4(3) . . ?
N1 Dy1 C36 83.1(4) . . ?
C29 Dy1 C36 143.8(4) . . ?
C25 Dy1 C36 134.0(4) . . ?
C28 Dy1 C36 115.2(4) . . ?
C27 Dy1 C36 95.2(4) . . ?
C35 Dy1 C36 30.9(4) . . ?
C39 Dy1 C36 49.3(3) . . ?
C26 Dy1 C36 103.8(4) . . ?
N2 Dy1 C37 137.4(3) . . ?
N3 Dy1 C37 101.3(3) . . ?
N1 Dy1 C37 112.3(3) . . ?
C29 Dy1 C37 125.6(4) . . ?
C25 Dy1 C37 136.4(4) . . ?
C28 Dy1 C37 95.8(4) . . ?
C27 Dy1 C37 87.2(4) . . ?
C35 Dy1 C37 49.5(4) . . ?
C39 Dy1 C37 48.9(3) . . ?
C26 Dy1 C37 108.3(4) . . ?
C36 Dy1 C37 29.2(4) . . ?
N5 Dy2 N4 66.3(3) . . ?
N5 Dy2 N6 66.4(3) . . ?
N4 Dy2 N6 132.6(3) . . ?
N5 Dy2 C59A 96.1(6) . . ?
N4 Dy2 C59A 107.0(6) . . ?
N6 Dy2 C59A 76.6(7) . . ?
N5 Dy2 C45B 92.4(7) . . ?
N4 Dy2 C45B 74.8(8) . . ?
N6 Dy2 C45B 108.7(6) . . ?
N5 Dy2 C47B 141.9(9) . . ?
N4 Dy2 C47B 110.1(8) . . ?
N6 Dy2 C47B 107.7(8) . . ?
C45B Dy2 C47B 52.4(10) . . ?
N5 Dy2 C55A 89.6(8) . . ?
N4 Dy2 C55A 76.5(9) . . ?
N6 Dy2 C55A 101.7(7) . . ?
C59A Dy2 C55A 31.1(7) . . ?
N5 Dy2 C49B 89.8(9) . . ?
N4 Dy2 C49B 102.4(7) . . ?
N6 Dy2 C49B 78.9(9) . . ?
C45B Dy2 C49B 31.5(6) . . ?
C47B Dy2 C49B 53.0(12) . . ?
N5 Dy2 C58A 125.4(6) . . ?
N4 Dy2 C58A 123.1(6) . . ?
N6 Dy2 C58A 84.3(6) . . ?
C59A Dy2 C58A 30.4(5) . . ?
C55A Dy2 C58A 51.2(11) . . ?
N5 Dy2 C46B 121.4(7) . . ?
N4 Dy2 C46B 80.4(8) . . ?
N6 Dy2 C46B 127.1(8) . . ?
C45B Dy2 C46B 30.8(6) . . ?
C47B Dy2 C46B 30.8(5) . . ?
C49B Dy2 C46B 51.1(11) . . ?
N5 Dy2 C55B 92.8(8) . . ?
N4 Dy2 C55B 75.8(10) . . ?
N6 Dy2 C55B 105.1(7) . . ?
C45B Dy2 C55B 145.0(10) . . ?
C47B Dy2 C55B 124.0(11) . . ?
C49B Dy2 C55B 175.9(11) . . ?
C46B Dy2 C55B 124.8(9) . . ?
N5 Dy2 C47A 121.4(8) . . ?
N4 Dy2 C47A 127.8(11) . . ?
N6 Dy2 C47A 79.9(9) . . ?
C59A Dy2 C47A 121.6(12) . . ?
C55A Dy2 C47A 145.3(13) . . ?
C58A Dy2 C47A 95.1(11) . . ?
C1 N1 C5 116.9(9) . . ?
C1 N1 Dy1 124.5(7) . . ?
C5 N1 Dy1 117.8(6) . . ?
C9 N2 C6 117.0(8) . . ?
C9 N2 Dy1 120.9(7) . . ?
C6 N2 Dy1 122.0(6) . . ?
C14 N3 C10 117.4(8) . . ?
C14 N3 Dy1 123.0(6) . . ?
C10 N3 Dy1 118.7(6) . . ?
C15 N4 C19 118.0(9) . . ?
C15 N4 Dy2 124.2(7) . . ?
C19 N4 Dy2 117.5(6) . . ?
C8 N5 C7 116.9(8) . . ?
C8 N5 Dy2 121.3(6) . . ?
C7 N5 Dy2 121.8(7) . . ?
C20 N6 C24 116.6(9) . . ?
C20 N6 Dy2 125.0(8) . . ?
C24 N6 Dy2 118.2(6) . . ?
N1 C1 C2 125.5(10) . . ?
C1 C2 C3 118.3(9) . . ?
C4 C3 C2 118.6(10) . . ?
C3 C4 C5 121.4(10) . . ?
N1 C5 C4 119.1(8) . . ?
N1 C5 C6 116.6(9) . . ?
C4 C5 C6 124.2(9) . . ?
N2 C6 C5 114.7(8) . . ?
N2 C6 C7 119.7(8) . . ?
C5 C6 C7 125.6(9) . . ?
N5 C7 C19 115.2(8) . . ?
N5 C7 C6 119.3(9) . . ?
C19 C7 C6 125.5(8) . . ?
N5 C8 C24 116.3(9) . . ?
N5 C8 C9 119.4(8) . . ?
C24 C8 C9 124.2(9) . . ?
N2 C9 C10 116.0(9) . . ?
N2 C9 C8 118.9(9) . . ?
C10 C9 C8 125.0(9) . . ?
N3 C10 C11 120.2(9) . . ?
N3 C10 C9 116.1(8) . . ?
C11 C10 C9 123.5(9) . . ?
C12 C11 C10 120.1(9) . . ?
C13 C12 C11 118.8(9) . . ?
C14 C13 C12 119.0(10) . . ?
N3 C14 C13 124.3(10) . . ?
N4 C15 C16 125.0(11) . . ?
C15 C16 C17 118.1(11) . . ?
C18 C17 C16 118.8(10) . . ?
C17 C18 C19 121.9(9) . . ?
N4 C19 C7 117.4(8) . . ?
N4 C19 C18 118.0(9) . . ?
C7 C19 C18 124.6(9) . . ?
C21 C20 N6 124.7(11) . . ?
C20 C21 C22 119.1(9) . . ?
C21 C22 C23 119.2(10) . . ?
C22 C23 C24 120.4(10) . . ?
N6 C24 C23 119.7(8) . . ?
N6 C24 C8 115.9(9) . . ?
C23 C24 C8 124.2(9) . . ?
C29 C25 C26 106.6(11) . . ?
C29 C25 C30 127.2(14) . . ?
C26 C25 C30 126.0(13) . . ?
C29 C25 Dy1 74.3(6) . . ?
C26 C25 Dy1 76.7(7) . . ?
C30 C25 Dy1 118.3(7) . . ?
C27 C26 C25 107.0(11) . . ?
C27 C26 C31 126.7(13) . . ?
C25 C26 C31 125.6(14) . . ?
C27 C26 Dy1 74.1(7) . . ?
C25 C26 Dy1 72.6(6) . . ?
C31 C26 Dy1 126.4(8) . . ?
C26 C27 C28 110.4(11) . . ?
C26 C27 C32 126.0(13) . . ?
C28 C27 C32 122.3(14) . . ?
C26 C27 Dy1 76.8(7) . . ?
C28 C27 Dy1 75.3(7) . . ?
C32 C27 Dy1 125.2(9) . . ?
C27 C28 C29 108.1(12) . . ?
C27 C28 C33 125.5(12) . . ?
C29 C28 C33 125.8(12) . . ?
C27 C28 Dy1 75.4(7) . . ?
C29 C28 Dy1 73.8(7) . . ?
C33 C28 Dy1 124.1(8) . . ?
C28 C29 C25 107.8(11) . . ?
C28 C29 C34 128.8(14) . . ?
C25 C29 C34 123.0(13) . . ?
C28 C29 Dy1 76.1(7) . . ?
C25 C29 Dy1 75.2(7) . . ?
C34 C29 Dy1 120.6(8) . . ?
C39 C35 C36 106.4(11) . . ?
C39 C35 C40 124.0(11) . . ?
C36 C35 C40 129.0(11) . . ?
C39 C35 Dy1 75.5(7) . . ?
C36 C35 Dy1 75.2(6) . . ?
C40 C35 Dy1 121.2(8) . . ?
C37 C36 C35 107.8(11) . . ?
C37 C36 C41 125.9(13) . . ?
C35 C36 C41 125.4(14) . . ?
C37 C36 Dy1 75.9(7) . . ?
C35 C36 Dy1 73.9(6) . . ?
C41 C36 Dy1 124.4(8) . . ?
C36 C37 C38 108.2(11) . . ?
C36 C37 C43 125.4(14) . . ?
C38 C37 C43 124.5(13) . . ?
C36 C37 Dy1 74.9(7) . . ?
C38 C37 Dy1 76.0(7) . . ?
C43 C37 Dy1 127.7(9) . . ?
C37 C38 C39 108.8(11) . . ?
C37 C38 C42 123.5(13) . . ?
C39 C38 C42 126.6(12) . . ?
C37 C38 Dy1 74.7(7) . . ?
C39 C38 Dy1 73.8(6) . . ?
C42 C38 Dy1 126.7(8) . . ?
C35 C39 C38 108.7(10) . . ?
C35 C39 C44 124.9(11) . . ?
C38 C39 C44 126.4(11) . . ?
C35 C39 Dy1 74.9(6) . . ?
C38 C39 Dy1 76.8(7) . . ?
C44 C39 Dy1 115.3(7) . . ?
C49A C45A C46A 108(3) . . ?
C49A C45A C50A 124(3) . . ?
C46A C45A C50A 128(3) . . ?
C49A C45A Dy2 79(2) . . ?
C46A C45A Dy2 74(3) . . ?
C50A C45A Dy2 114(3) . . ?
C45A C46A C47A 110(3) . . ?
C45A C46A C54A 130(3) . . ?
C47A C46A C54A 119(3) . . ?
C45A C46A Dy2 76(3) . . ?
C47A C46A Dy2 75(4) . . ?
C54A C46A Dy2 123(3) . . ?
C48A C47A C46A 103(4) . . ?
C48A C47A C53A 125(4) . . ?
C46A C47A C53A 127(3) . . ?
C48A C47A Dy2 81(4) . . ?
C46A C47A Dy2 75(4) . . ?
C53A C47A Dy2 128(4) . . ?
C49A C48A C47A 113(4) . . ?
C49A C48A C52A 124(3) . . ?
C47A C48A C52A 123(4) . . ?
C49A C48A Dy2 76(2) . . ?
C47A C48A Dy2 70(4) . . ?
C52A C48A Dy2 123(3) . . ?
C48A C49A C45A 106(3) . . ?
C48A C49A C51A 119(3) . . ?
C45A C49A C51A 135(3) . . ?
C48A C49A Dy2 76(2) . . ?
C45A C49A Dy2 72(2) . . ?
C51A C49A Dy2 125(3) . . ?
C56A C55A C59A 107(2) . . ?
C56A C55A C60A 126(3) . . ?
C59A C55A C60A 127(2) . . ?
C56A C55A Dy2 79(3) . . ?
C59A C55A Dy2 72(3) . . ?
C60A C55A Dy2 116(4) . . ?
C55A C56A C57A 106(2) . . ?
C55A C56A C61A 123(3) . . ?
C57A C56A C61A 128(3) . . ?
C55A C56A Dy2 71(3) . . ?
C57A C56A Dy2 77.8(19) . . ?
C61A C56A Dy2 132(2) . . ?
C56A C57A C58A 111(2) . . ?
C56A C57A C62A 111(3) . . ?
C58A C57A C62A 137(3) . . ?
C56A C57A Dy2 73.0(18) . . ?
C58A C57A Dy2 70.1(18) . . ?
C62A C57A Dy2 133(3) . . ?
C59A C58A C57A 104(2) . . ?
C59A C58A C63A 141(3) . . ?
C57A C58A C63A 113(3) . . ?
C59A C58A Dy2 71(2) . . ?
C57A C58A Dy2 80.2(19) . . ?
C63A C58A Dy2 127(3) . . ?
C58A C59A C55A 111(2) . . ?
C58A C59A C64A 128(2) . . ?
C55A C59A C64A 120(2) . . ?
C58A C59A Dy2 78(2) . . ?
C55A C59A Dy2 77(4) . . ?
C64A C59A Dy2 118(2) . . ?
C46B C45B C49B 108(3) . . ?
C46B C45B C50B 130(3) . . ?
C49B C45B C50B 121(3) . . ?
C46B C45B Dy2 77(2) . . ?
C49B C45B Dy2 75(3) . . ?
C50B C45B Dy2 121(2) . . ?
C45B C46B C47B 111(3) . . ?
C45B C46B C51B 127(3) . . ?
C47B C46B C51B 122(3) . . ?
C45B C46B Dy2 72(2) . . ?
C47B C46B Dy2 72(2) . . ?
C51B C46B Dy2 127(3) . . ?
C48B C47B C46B 103(3) . . ?
C48B C47B C52B 128(4) . . ?
C46B C47B C52B 123(3) . . ?
C48B C47B Dy2 79(4) . . ?
C46B C47B Dy2 77(2) . . ?
C52B C47B Dy2 132(3) . . ?
C47B C48B C49B 113(4) . . ?
C47B C48B C53B 124(3) . . ?
C49B C48B C53B 123(3) . . ?
C47B C48B Dy2 71(3) . . ?
C49B C48B Dy2 72(4) . . ?
C53B C48B Dy2 122(4) . . ?
C48B C49B C45B 104(3) . . ?
C48B C49B C54B 123(3) . . ?
C45B C49B C54B 133(3) . . ?
C48B C49B Dy2 78(4) . . ?
C45B C49B Dy2 73(3) . . ?
C54B C49B Dy2 117(3) . . ?
C59B C55B C56B 109(2) . . ?
C59B C55B C60B 134(3) . . ?
C56B C55B C60B 117(3) . . ?
C59B C55B Dy2 76(4) . . ?
C56B C55B Dy2 77(3) . . ?
C60B C55B Dy2 119(4) . . ?
C57B C56B C55B 110(2) . . ?
C57B C56B C61B 123(3) . . ?
C55B C56B C61B 126(3) . . ?
C57B C56B Dy2 78(2) . . ?
C55B C56B Dy2 73(3) . . ?
C61B C56B Dy2 120(2) . . ?
C58B C57B C56B 101(2) . . ?
C58B C57B C62B 146(3) . . ?
C56B C57B C62B 107(3) . . ?
C58B C57B Dy2 81(2) . . ?
C56B C57B Dy2 73(2) . . ?
C62B C57B Dy2 125(3) . . ?
C57B C58B C59B 115(2) . . ?
C57B C58B C63B 98(3) . . ?
C59B C58B C63B 144(3) . . ?
C57B C58B Dy2 71(2) . . ?
C59B C58B Dy2 68(2) . . ?
C63B C58B Dy2 114(2) . . ?
C58B C59B C55B 102(2) . . ?
C58B C59B C64B 134(3) . . ?
C55B C59B C64B 122(3) . . ?
C58B C59B Dy2 84(2) . . ?
C55B C59B Dy2 74(4) . . ?
C64B C59B Dy2 118(3) . . ?
O6 K1 O1 122.4(5) . . ?
O6 K1 O4 99.8(7) . . ?
O1 K1 O4 132.3(6) . . ?
O6 K1 O2 99.9(5) . . ?
O1 K1 O2 61.2(4) . . ?
O4 K1 O2 93.0(5) . . ?
O6 K1 O5 60.7(6) . . ?
O1 K1 O5 99.7(4) . . ?
O4 K1 O5 121.2(6) . . ?
O2 K1 O5 141.8(5) . . ?
O6 K1 O3 139.5(6) . . ?
O1 K1 O3 93.1(5) . . ?
O4 K1 O3 60.6(5) . . ?
O2 K1 O3 115.2(5) . . ?
O5 K1 O3 97.5(5) . . ?
O6 K1 N8 59.0(8) . . ?
O1 K1 N8 120.9(5) . . ?
O4 K1 N8 61.3(7) . . ?
O2 K1 N8 60.9(5) . . ?
O5 K1 N8 118.7(7) . . ?
O3 K1 N8 121.3(6) . . ?
O6 K1 N7 118.8(6) . . ?
O1 K1 N7 59.5(4) . . ?
O4 K1 N7 120.3(5) . . ?
O2 K1 N7 119.9(4) . . ?
O5 K1 N7 59.4(5) . . ?
O3 K1 N7 60.5(4) . . ?
N8 K1 N7 177.8(7) . . ?
C66 O1 C67 112.0(15) . . ?
C66 O1 K1 122.6(11) . . ?
C67 O1 K1 110.4(11) . . ?
C68 O2 C69 111.6(14) . . ?
C68 O2 K1 116.4(11) . . ?
C69 O2 K1 117.8(12) . . ?
C73 O3 C72 112.8(15) . . ?
C73 O3 K1 112.3(16) . . ?
C72 O3 K1 117.3(12) . . ?
C74 O4 C75 116(2) . . ?
C74 O4 K1 114.7(15) . . ?
C75 O4 K1 116.6(15) . . ?
C78 O5 C79 115.8(19) . . ?
C78 O5 K1 119.0(13) . . ?
C79 O5 K1 106.9(15) . . ?
C81 O6 C80 109(2) . . ?
C81 O6 K1 117(2) . . ?
C80 O6 K1 118.5(17) . . ?
C77 N7 C71 108.6(15) . . ?
C77 N7 C65 109.1(16) . . ?
C71 N7 C65 112.1(15) . . ?
C77 N7 K1 109.3(12) . . ?
C71 N7 K1 110.0(11) . . ?
C65 N7 K1 107.7(11) . . ?
C70 N8 C76 110(3) . . ?
C70 N8 C82 101(2) . . ?
C76 N8 C82 110(3) . . ?
C70 N8 K1 110.1(14) . . ?
C76 N8 K1 110.1(17) . . ?
C82 N8 K1 115.5(19) . . ?
N7 C65 C66 111.4(16) . . ?
O1 C66 C65 106.3(16) . . ?
O1 C67 C68 114.9(17) . . ?
O2 C68 C67 110.2(15) . . ?
O2 C69 C70 108.8(17) . . ?
N8 C70 C69 115(2) . . ?
N7 C71 C72 113.9(17) . . ?
O3 C72 C71 109.1(15) . . ?
O3 C73 C74 111.5(19) . . ?
O4 C74 C73 113(2) . . ?
O4 C75 C76 110(3) . . ?
N8 C76 C75 108(3) . . ?
N7 C77 C78 113.7(17) . . ?
O5 C78 C77 107.0(19) . . ?
O5 C79 C80 120(3) . . ?
O6 C80 C79 99(2) . . ?
O6 C81 C82 118(3) . . ?
N8 C82 C81 101(3) . . ?
C90 O8 C87 107(3) . . ?
C88 C87 O8 110(3) . . ?
C87 C88 C89 103(3) . . ?
C90 C89 C88 111(3) . . ?
O8 C90 C89 104(3) . . ?
C91A O9A C94A 115(4) . . ?
C93A C94A O9A 93(4) . . ?
C92A C93A C94A 116(5) . . ?
C93A C92A C91A 100(4) . . ?
C92A C91A O9A 100(4) . . ?
O9B C91B C92B 113(4) . . ?
C93B C92B C91B 93(4) . . ?
C94B C93B C92B 119(4) . . ?
C93B C94B O9B 101(4) . . ?
C94B O9B C91B 99(4) . . ?
C103 O11 C99 118(4) . . ?
C102 O11 C99 93(5) . . ?
C100 C99 O11 94(3) . . ?
C99 C100 C101 108(3) . . ?
C103 C101 C100 111(4) . . ?
C102 C101 C100 85(6) . . ?
C101 C103 O11 90(4) . . ?
C101 C102 O11 88(4) . . ?
C107 O12 C104 111(4) . . ?
C105 C104 O12 93(4) . . ?
C104 C105 C106 103(5) . . ?
C105 C106 C107 96(4) . . ?
O12 C107 C106 100(4) . . ?
C86 O7 C83 112(2) . . ?
O7 C83 C84 104(2) . . ?
C83 C84 C85 105(2) . . ?
C86 C85 C84 106(2) . . ?
O7 C86 C85 101(2) . . ?
O10B C95B C96B 104(4) . . ?
C97B C96B C95B 101(3) . . ?
C96B C97B C98B 91(3) . . ?
O10B C98B C97B 119(3) . . ?
C95B O10B C98B 91(3) . . ?
O10A C95A C96A 103(4) . . ?
C95A C96A C97A 102(3) . . ?
C96A C97A C98A 92(3) . . ?
O10A C98A C97A 119(3) . . ?
C95A O10A C98A 89(3) . . ?
C109 O13 C112 123(5) . . ?
C110 C109 O13 88(5) . . ?
C109 C110 C111 122(6) . . ?
C112 C111 C110 101(6) . . ?
C111 C112 O13 101(5) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C5 N1 C1 C2 1.8(15) . . . . ?
Dy1 N1 C1 C2 -167.3(8) . . . . ?
N1 C1 C2 C3 2.6(16) . . . . ?
C1 C2 C3 C4 -4.1(15) . . . . ?
C2 C3 C4 C5 1.3(15) . . . . ?
C1 N1 C5 C4 -4.5(13) . . . . ?
Dy1 N1 C5 C4 165.3(7) . . . . ?
C1 N1 C5 C6 178.8(9) . . . . ?
Dy1 N1 C5 C6 -11.4(11) . . . . ?
C3 C4 C5 N1 3.1(14) . . . . ?
C3 C4 C5 C6 179.5(9) . . . . ?
C9 N2 C6 C5 163.3(9) . . . . ?
Dy1 N2 C6 C5 -17.2(12) . . . . ?
C9 N2 C6 C7 -14.8(14) . . . . ?
Dy1 N2 C6 C7 164.6(7) . . . . ?
N1 C5 C6 N2 18.2(13) . . . . ?
C4 C5 C6 N2 -158.3(9) . . . . ?
N1 C5 C6 C7 -163.8(9) . . . . ?
C4 C5 C6 C7 19.7(16) . . . . ?
C8 N5 C7 C19 165.4(10) . . . . ?
Dy2 N5 C7 C19 -15.7(13) . . . . ?
C8 N5 C7 C6 -11.9(14) . . . . ?
Dy2 N5 C7 C6 167.0(8) . . . . ?
N2 C6 C7 N5 28.1(15) . . . . ?
C5 C6 C7 N5 -149.8(10) . . . . ?
N2 C6 C7 C19 -148.9(11) . . . . ?
C5 C6 C7 C19 33.2(17) . . . . ?
C7 N5 C8 C24 162.5(9) . . . . ?
Dy2 N5 C8 C24 -16.3(12) . . . . ?
C7 N5 C8 C9 -14.9(14) . . . . ?
Dy2 N5 C8 C9 166.2(7) . . . . ?
C6 N2 C9 C10 165.7(9) . . . . ?
Dy1 N2 C9 C10 -13.8(12) . . . . ?
C6 N2 C9 C8 -11.9(13) . . . . ?
Dy1 N2 C9 C8 168.6(7) . . . . ?
N5 C8 C9 N2 28.0(14) . . . . ?
C24 C8 C9 N2 -149.2(10) . . . . ?
N5 C8 C9 C10 -149.3(10) . . . . ?
C24 C8 C9 C10 33.4(16) . . . . ?
C14 N3 C10 C11 -4.3(13) . . . . ?
Dy1 N3 C10 C11 165.5(7) . . . . ?
C14 N3 C10 C9 -179.4(9) . . . . ?
Dy1 N3 C10 C9 -9.5(11) . . . . ?
N2 C9 C10 N3 15.0(13) . . . . ?
C8 C9 C10 N3 -167.5(9) . . . . ?
N2 C9 C10 C11 -159.9(9) . . . . ?
C8 C9 C10 C11 17.6(15) . . . . ?
N3 C10 C11 C12 2.5(14) . . . . ?
C9 C10 C11 C12 177.2(9) . . . . ?
C10 C11 C12 C13 1.3(15) . . . . ?
C11 C12 C13 C14 -3.1(16) . . . . ?
C10 N3 C14 C13 2.6(15) . . . . ?
Dy1 N3 C14 C13 -166.8(8) . . . . ?
C12 C13 C14 N3 1.2(17) . . . . ?
C19 N4 C15 C16 0(2) . . . . ?
Dy2 N4 C15 C16 -173.7(11) . . . . ?
N4 C15 C16 C17 3(2) . . . . ?
C15 C16 C17 C18 -3.4(19) . . . . ?
C16 C17 C18 C19 0.0(17) . . . . ?
C15 N4 C19 C7 178.8(11) . . . . ?
Dy2 N4 C19 C7 -6.9(13) . . . . ?
C15 N4 C19 C18 -3.6(16) . . . . ?
Dy2 N4 C19 C18 170.7(7) . . . . ?
N5 C7 C19 N4 14.3(14) . . . . ?
C6 C7 C19 N4 -168.6(10) . . . . ?
N5 C7 C19 C18 -163.1(10) . . . . ?
C6 C7 C19 C18 14.0(18) . . . . ?
C17 C18 C19 N4 3.6(16) . . . . ?
C17 C18 C19 C7 -179.0(11) . . . . ?
C24 N6 C20 C21 5.7(18) . . . . ?
Dy2 N6 C20 C21 -169.3(10) . . . . ?
N6 C20 C21 C22 0(2) . . . . ?
C20 C21 C22 C23 -3.0(18) . . . . ?
C21 C22 C23 C24 0.8(17) . . . . ?
C20 N6 C24 C23 -7.6(15) . . . . ?
Dy2 N6 C24 C23 167.8(7) . . . . ?
C20 N6 C24 C8 178.1(10) . . . . ?
Dy2 N6 C24 C8 -6.5(12) . . . . ?
C22 C23 C24 N6 4.6(16) . . . . ?
C22 C23 C24 C8 178.4(10) . . . . ?
N5 C8 C24 N6 14.5(14) . . . . ?
C9 C8 C24 N6 -168.2(10) . . . . ?
N5 C8 C24 C23 -159.5(10) . . . . ?
C9 C8 C24 C23 17.8(17) . . . . ?
C29 C25 C26 C27 -2.2(13) . . . . ?
C30 C25 C26 C27 -177.9(11) . . . . ?
Dy1 C25 C26 C27 66.7(8) . . . . ?
C29 C25 C26 C31 168.4(11) . . . . ?
C30 C25 C26 C31 -7.3(19) . . . . ?
Dy1 C25 C26 C31 -122.7(12) . . . . ?
C29 C25 C26 Dy1 -68.9(8) . . . . ?
C30 C25 C26 Dy1 115.4(11) . . . . ?
C25 C26 C27 C28 2.9(14) . . . . ?
C31 C26 C27 C28 -167.6(12) . . . . ?
Dy1 C26 C27 C28 68.5(9) . . . . ?
C25 C26 C27 C32 170.1(12) . . . . ?
C31 C26 C27 C32 0(2) . . . . ?
Dy1 C26 C27 C32 -124.2(13) . . . . ?
C25 C26 C27 Dy1 -65.6(8) . . . . ?
C31 C26 C27 Dy1 123.9(12) . . . . ?
C26 C27 C28 C29 -2.4(14) . . . . ?
C32 C27 C28 C29 -170.2(11) . . . . ?
Dy1 C27 C28 C29 67.1(8) . . . . ?
C26 C27 C28 C33 168.8(11) . . . . ?
C32 C27 C28 C33 1.0(19) . . . . ?
Dy1 C27 C28 C33 -121.7(12) . . . . ?
C26 C27 C28 Dy1 -69.6(9) . . . . ?
C32 C27 C28 Dy1 122.6(12) . . . . ?
C27 C28 C29 C25 0.9(13) . . . . ?
C33 C28 C29 C25 -170.2(11) . . . . ?
Dy1 C28 C29 C25 69.2(8) . . . . ?
C27 C28 C29 C34 173.5(12) . . . . ?
C33 C28 C29 C34 2(2) . . . . ?
Dy1 C28 C29 C34 -118.3(13) . . . . ?
C27 C28 C29 Dy1 -68.2(8) . . . . ?
C33 C28 C29 Dy1 120.6(12) . . . . ?
C26 C25 C29 C28 0.8(13) . . . . ?
C30 C25 C29 C28 176.4(11) . . . . ?
Dy1 C25 C29 C28 -69.8(8) . . . . ?
C26 C25 C29 C34 -172.3(11) . . . . ?
C30 C25 C29 C34 3.3(19) . . . . ?
Dy1 C25 C29 C34 117.1(12) . . . . ?
C26 C25 C29 Dy1 70.6(8) . . . . ?
C30 C25 C29 Dy1 -113.9(11) . . . . ?
C39 C35 C36 C37 0.7(13) . . . . ?
C40 C35 C36 C37 172.6(12) . . . . ?
Dy1 C35 C36 C37 -68.9(9) . . . . ?
C39 C35 C36 C41 -169.2(11) . . . . ?
C40 C35 C36 C41 2.7(19) . . . . ?
Dy1 C35 C36 C41 121.1(11) . . . . ?
C39 C35 C36 Dy1 69.7(8) . . . . ?
C40 C35 C36 Dy1 -118.4(12) . . . . ?
C35 C36 C37 C38 -1.8(14) . . . . ?
C41 C36 C37 C38 168.1(11) . . . . ?
Dy1 C36 C37 C38 -69.4(9) . . . . ?
C35 C36 C37 C43 -166.6(11) . . . . ?
C41 C36 C37 C43 3(2) . . . . ?
Dy1 C36 C37 C43 125.8(13) . . . . ?
C35 C36 C37 Dy1 67.6(8) . . . . ?
C41 C36 C37 Dy1 -122.5(12) . . . . ?
C36 C37 C38 C39 2.2(14) . . . . ?
C43 C37 C38 C39 167.1(12) . . . . ?
Dy1 C37 C38 C39 -66.4(8) . . . . ?
C36 C37 C38 C42 -167.1(11) . . . . ?
C43 C37 C38 C42 -2(2) . . . . ?
Dy1 C37 C38 C42 124.3(11) . . . . ?
C36 C37 C38 Dy1 68.6(9) . . . . ?
C43 C37 C38 Dy1 -126.4(13) . . . . ?
C36 C35 C39 C38 0.6(13) . . . . ?
C40 C35 C39 C38 -171.8(11) . . . . ?
Dy1 C35 C39 C38 70.1(8) . . . . ?
C36 C35 C39 C44 179.9(10) . . . . ?
C40 C35 C39 C44 7.5(18) . . . . ?
Dy1 C35 C39 C44 -110.6(11) . . . . ?
C36 C35 C39 Dy1 -69.5(7) . . . . ?
C40 C35 C39 Dy1 118.1(11) . . . . ?
C37 C38 C39 C35 -1.7(13) . . . . ?
C42 C38 C39 C35 167.1(11) . . . . ?
Dy1 C38 C39 C35 -68.8(8) . . . . ?
C37 C38 C39 C44 179.0(11) . . . . ?
C42 C38 C39 C44 -12.2(19) . . . . ?
Dy1 C38 C39 C44 111.9(11) . . . . ?
C37 C38 C39 Dy1 67.1(8) . . . . ?
C42 C38 C39 Dy1 -124.1(12) . . . . ?
C49A C45A C46A C47A -5(6) . . . . ?
C50A C45A C46A C47A 176(5) . . . . ?
Dy2 C45A C46A C47A 67(5) . . . . ?
C49A C45A C46A C54A 165(5) . . . . ?
C50A C45A C46A C54A -13(8) . . . . ?
Dy2 C45A C46A C54A -122(5) . . . . ?
C49A C45A C46A Dy2 -73(3) . . . . ?
C50A C45A C46A Dy2 109(4) . . . . ?
C45A C46A C47A C48A 8(7) . . . . ?
C54A C46A C47A C48A -164(5) . . . . ?
Dy2 C46A C47A C48A 77(4) . . . . ?
C45A C46A C47A C53A 165(6) . . . . ?
C54A C46A C47A C53A -7(10) . . . . ?
Dy2 C46A C47A C53A -127(7) . . . . ?
C45A C46A C47A Dy2 -68(4) . . . . ?
C54A C46A C47A Dy2 120(5) . . . . ?
C46A C47A C48A C49A -9(7) . . . . ?
C53A C47A C48A C49A -166(5) . . . . ?
Dy2 C47A C48A C49A 64(3) . . . . ?
C46A C47A C48A C52A 171(4) . . . . ?
C53A C47A C48A C52A 13(9) . . . . ?
Dy2 C47A C48A C52A -117(4) . . . . ?
C46A C47A C48A Dy2 -72(4) . . . . ?
C53A C47A C48A Dy2 131(7) . . . . ?
C47A C48A C49A C45A 6(6) . . . . ?
C52A C48A C49A C45A -173(4) . . . . ?
Dy2 C48A C49A C45A 66(3) . . . . ?
C47A C48A C49A C51A 177(5) . . . . ?
C52A C48A C49A C51A -2(6) . . . . ?
Dy2 C48A C49A C51A -122(3) . . . . ?
C47A C48A C49A Dy2 -61(4) . . . . ?
C52A C48A C49A Dy2 120(4) . . . . ?
C46A C45A C49A C48A 0(5) . . . . ?
C50A C45A C49A C48A 179(4) . . . . ?
Dy2 C45A C49A C48A -69(3) . . . . ?
C46A C45A C49A C51A -170(5) . . . . ?
C50A C45A C49A C51A 9(7) . . . . ?
Dy2 C45A C49A C51A 121(5) . . . . ?
C46A C45A C49A Dy2 69(3) . . . . ?
C50A C45A C49A Dy2 -112(4) . . . . ?
C59A C55A C56A C57A 3(6) . . . . ?
C60A C55A C56A C57A -175(6) . . . . ?
Dy2 C55A C56A C57A 71(3) . . . . ?
C59A C55A C56A C61A 165(4) . . . . ?
C60A C55A C56A C61A -14(9) . . . . ?
Dy2 C55A C56A C61A -128(3) . . . . ?
C59A C55A C56A Dy2 -67(5) . . . . ?
C60A C55A C56A Dy2 114(7) . . . . ?
C55A C56A C57A C58A -6(5) . . . . ?
C61A C56A C57A C58A -166(4) . . . . ?
Dy2 C56A C57A C58A 60(3) . . . . ?
C55A C56A C57A C62A 164(5) . . . . ?
C61A C56A C57A C62A 4(5) . . . . ?
Dy2 C56A C57A C62A -130(3) . . . . ?
C55A C56A C57A Dy2 -66(4) . . . . ?
C61A C56A C57A Dy2 134(4) . . . . ?
C56A C57A C58A C59A 6(4) . . . . ?
C62A C57A C58A C59A -160(5) . . . . ?
Dy2 C57A C58A C59A 68(3) . . . . ?
C56A C57A C58A C63A 172(3) . . . . ?
C62A C57A C58A C63A 6(7) . . . . ?
Dy2 C57A C58A C63A -126(3) . . . . ?
C56A C57A C58A Dy2 -62(3) . . . . ?
C62A C57A C58A Dy2 132(5) . . . . ?
C57A C58A C59A C55A -4(6) . . . . ?
C63A C58A C59A C55A -163(6) . . . . ?
Dy2 C58A C59A C55A 71(5) . . . . ?
C57A C58A C59A C64A 169(4) . . . . ?
C63A C58A C59A C64A 10(8) . . . . ?
Dy2 C58A C59A C64A -116(4) . . . . ?
C57A C58A C59A Dy2 -74(3) . . . . ?
C63A C58A C59A Dy2 127(6) . . . . ?
C56A C55A C59A C58A 0(7) . . . . ?
C60A C55A C59A C58A 179(5) . . . . ?
Dy2 C55A C59A C58A -71(3) . . . . ?
C56A C55A C59A C64A -173(4) . . . . ?
C60A C55A C59A C64A 5(10) . . . . ?
Dy2 C55A C59A C64A 115(4) . . . . ?
C56A C55A C59A Dy2 72(5) . . . . ?
C60A C55A C59A Dy2 -110(7) . . . . ?
C49B C45B C46B C47B 7(5) . . . . ?
C50B C45B C46B C47B 177(4) . . . . ?
Dy2 C45B C46B C47B -63(3) . . . . ?
C49B C45B C46B C51B -167(4) . . . . ?
C50B C45B C46B C51B 3(7) . . . . ?
Dy2 C45B C46B C51B 123(4) . . . . ?
C49B C45B C46B Dy2 70(3) . . . . ?
C50B C45B C46B Dy2 -120(4) . . . . ?
C45B C46B C47B C48B -13(5) . . . . ?
C51B C46B C47B C48B 162(5) . . . . ?
Dy2 C46B C47B C48B -75(4) . . . . ?
C45B C46B C47B C52B -166(4) . . . . ?
C51B C46B C47B C52B 9(6) . . . . ?
Dy2 C46B C47B C52B 132(4) . . . . ?
C45B C46B C47B Dy2 63(3) . . . . ?
C51B C46B C47B Dy2 -123(4) . . . . ?
C46B C47B C48B C49B 14(7) . . . . ?
C52B C47B C48B C49B 165(5) . . . . ?
Dy2 C47B C48B C49B -59(5) . . . . ?
C46B C47B C48B C53B -170(6) . . . . ?
C52B C47B C48B C53B -19(10) . . . . ?
Dy2 C47B C48B C53B 117(7) . . . . ?
C46B C47B C48B Dy2 74(3) . . . . ?
C52B C47B C48B Dy2 -135(5) . . . . ?
C47B C48B C49B C45B -10(7) . . . . ?
C53B C48B C49B C45B 174(6) . . . . ?
Dy2 C48B C49B C45B -69(3) . . . . ?
C47B C48B C49B C54B 173(5) . . . . ?
C53B C48B C49B C54B -3(10) . . . . ?
Dy2 C48B C49B C54B 114(5) . . . . ?
C47B C48B C49B Dy2 59(5) . . . . ?
C53B C48B C49B Dy2 -117(6) . . . . ?
C46B C45B C49B C48B 2(6) . . . . ?
C50B C45B C49B C48B -170(5) . . . . ?
Dy2 C45B C49B C48B 73(4) . . . . ?
C46B C45B C49B C54B 178(5) . . . . ?
C50B C45B C49B C54B 6(8) . . . . ?
Dy2 C45B C49B C54B -111(6) . . . . ?
C46B C45B C49B Dy2 -71(3) . . . . ?
C50B C45B C49B Dy2 118(4) . . . . ?
C59B C55B C56B C57B 0(7) . . . . ?
C60B C55B C56B C57B -174(5) . . . . ?
Dy2 C55B C56B C57B 70(3) . . . . ?
C59B C55B C56B C61B 174(5) . . . . ?
C60B C55B C56B C61B 1(9) . . . . ?
Dy2 C55B C56B C61B -116(4) . . . . ?
C59B C55B C56B Dy2 -70(5) . . . . ?
C60B C55B C56B Dy2 116(6) . . . . ?
C55B C56B C57B C58B 10(5) . . . . ?
C61B C56B C57B C58B -164(4) . . . . ?
Dy2 C56B C57B C58B 77(3) . . . . ?
C55B C56B C57B C62B 171(5) . . . . ?
C61B C56B C57B C62B -4(5) . . . . ?
Dy2 C56B C57B C62B -122(3) . . . . ?
C55B C56B C57B Dy2 -67(4) . . . . ?
C61B C56B C57B Dy2 118(4) . . . . ?
C56B C57B C58B C59B -18(5) . . . . ?
C62B C57B C58B C59B -163(6) . . . . ?
Dy2 C57B C58B C59B 53(3) . . . . ?
C56B C57B C58B C63B 177(3) . . . . ?
C62B C57B C58B C63B 31(7) . . . . ?
Dy2 C57B C58B C63B -112(2) . . . . ?
C56B C57B C58B Dy2 -71(2) . . . . ?
C62B C57B C58B Dy2 144(7) . . . . ?
C57B C58B C59B C55B 17(6) . . . . ?
C63B C58B C59B C55B 173(6) . . . . ?
Dy2 C58B C59B C55B 72(4) . . . . ?
C57B C58B C59B C64B -179(5) . . . . ?
C63B C58B C59B C64B -24(10) . . . . ?
Dy2 C58B C59B C64B -124(5) . . . . ?
C57B C58B C59B Dy2 -55(3) . . . . ?
C63B C58B C59B Dy2 100(6) . . . . ?
C56B C55B C59B C58B -10(7) . . . . ?
C60B C55B C59B C58B 162(7) . . . . ?
Dy2 C55B C59B C58B -80(3) . . . . ?
C56B C55B C59B C64B -176(4) . . . . ?
C60B C55B C59B C64B -4(12) . . . . ?
Dy2 C55B C59B C64B 114(4) . . . . ?
C56B C55B C59B Dy2 71(5) . . . . ?
C60B C55B C59B Dy2 -118(9) . . . . ?
C77 N7 C65 C66 170.3(17) . . . . ?
C71 N7 C65 C66 -69(2) . . . . ?
K1 N7 C65 C66 51.9(18) . . . . ?
C67 O1 C66 C65 -179.9(17) . . . . ?
K1 O1 C66 C65 45(2) . . . . ?
N7 C65 C66 O1 -65(2) . . . . ?
C66 O1 C67 C68 169.0(19) . . . . ?
K1 O1 C67 C68 -51(2) . . . . ?
C69 O2 C68 C67 -177(2) . . . . ?
K1 O2 C68 C67 -38(2) . . . . ?
O1 C67 C68 O2 61(3) . . . . ?
C68 O2 C69 C70 -172(2) . . . . ?
K1 O2 C69 C70 50(3) . . . . ?
C76 N8 C70 C69 162(3) . . . . ?
C82 N8 C70 C69 -82(3) . . . . ?
K1 N8 C70 C69 41(3) . . . . ?
O2 C69 C70 N8 -62(3) . . . . ?
C77 N7 C71 C72 -77(2) . . . . ?
C65 N7 C71 C72 162.0(17) . . . . ?
K1 N7 C71 C72 42(2) . . . . ?
C73 O3 C72 C71 -177(2) . . . . ?
K1 O3 C72 C71 50(2) . . . . ?
N7 C71 C72 O3 -63(3) . . . . ?
C72 O3 C73 C74 180(3) . . . . ?
K1 O3 C73 C74 -45(3) . . . . ?
C75 O4 C74 C73 173(3) . . . . ?
K1 O4 C74 C73 -46(3) . . . . ?
O3 C73 C74 O4 63(4) . . . . ?
C74 O4 C75 C76 -172(3) . . . . ?
K1 O4 C75 C76 48(3) . . . . ?
C70 N8 C76 C75 -71(3) . . . . ?
C82 N8 C76 C75 179(3) . . . . ?
K1 N8 C76 C75 51(3) . . . . ?
O4 C75 C76 N8 -67(4) . . . . ?
C71 N7 C77 C78 165.1(18) . . . . ?
C65 N7 C77 C78 -72(2) . . . . ?
K1 N7 C77 C78 45(2) . . . . ?
C79 O5 C78 C77 -179.1(19) . . . . ?
K1 O5 C78 C77 51(2) . . . . ?
N7 C77 C78 O5 -65(2) . . . . ?
C78 O5 C79 C80 173(2) . . . . ?
K1 O5 C79 C80 -52(3) . . . . ?
C81 O6 C80 C79 174(3) . . . . ?
K1 O6 C80 C79 -50(3) . . . . ?
O5 C79 C80 O6 70(3) . . . . ?
C80 O6 C81 C82 -175(4) . . . . ?
K1 O6 C81 C82 47(5) . . . . ?
C70 N8 C82 C81 165(2) . . . . ?
C76 N8 C82 C81 -79(3) . . . . ?
K1 N8 C82 C81 46(3) . . . . ?
O6 C81 C82 N8 -62(5) . . . . ?
C90 O8 C87 C88 -25(4) . . . . ?
O8 C87 C88 C89 18(5) . . . . ?
C87 C88 C89 C90 -5(5) . . . . ?
C87 O8 C90 C89 20(4) . . . . ?
C88 C89 C90 O8 -9(5) . . . . ?
C91A O9A C94A C93A 2(7) . . . . ?
O9A C94A C93A C92A 25(7) . . . . ?
C94A C93A C92A C91A -41(7) . . . . ?
C93A C92A C91A O9A 35(6) . . . . ?
C94A O9A C91A C92A -24(7) . . . . ?
O9B C91B C92B C93B -25(7) . . . . ?
C91B C92B C93B C94B 0(8) . . . . ?
C92B C93B C94B O9B 23(9) . . . . ?
C93B C94B O9B C91B -34(6) . . . . ?
C92B C91B O9B C94B 40(6) . . . . ?
C103 O11 C99 C100 32(6) . . . . ?
C102 O11 C99 C100 -42(4) . . . . ?
O11 C99 C100 C101 -3(5) . . . . ?
C99 C100 C101 C103 -23(7) . . . . ?
C99 C100 C101 C102 49(5) . . . . ?
C102 C101 C103 O11 -43(5) . . . . ?
C100 C101 C103 O11 37(7) . . . . ?
C102 O11 C103 C101 41(5) . . . . ?
C99 O11 C103 C101 -44(7) . . . . ?
C103 C101 C102 O11 41(5) . . . . ?
C100 C101 C102 O11 -72(5) . . . . ?
C103 O11 C102 C101 -41(5) . . . . ?
C99 O11 C102 C101 77(5) . . . . ?
C107 O12 C104 C105 28(6) . . . . ?
O12 C104 C105 C106 -54(5) . . . . ?
C104 C105 C106 C107 61(6) . . . . ?
C104 O12 C107 C106 7(6) . . . . ?
C105 C106 C107 O12 -38(6) . . . . ?
C86 O7 C83 C84 -21(4) . . . . ?
O7 C83 C84 C85 -1(4) . . . . ?
C83 C84 C85 C86 20(4) . . . . ?
C83 O7 C86 C85 34(3) . . . . ?
C84 C85 C86 O7 -32(4) . . . . ?
O10B C95B C96B C97B 63(6) . . . . ?
C95B C96B C97B C98B -41(6) . . . . ?
C96B C97B C98B O10B 14(9) . . . . ?
C96B C95B O10B C98B -45(6) . . . . ?
C97B C98B O10B C95B 19(9) . . . . ?
O10A C95A C96A C97A -63(6) . . . . ?
C95A C96A C97A C98A 38(6) . . . . ?
C96A C97A C98A O10A -7(8) . . . . ?
C96A C95A O10A C98A 49(5) . . . . ?
C97A C98A O10A C95A -26(8) . . . . ?
C112 O13 C109 C110 22(10) . . . . ?
O13 C109 C110 C111 -15(11) . . . . ?
C109 C110 C111 C112 4(12) . . . . ?
C110 C111 C112 O13 9(8) . . . . ?
C109 O13 C112 C111 -22(9) . . . . ?

_refine_diff_density_max         2.603
_refine_diff_density_min         -1.296
_refine_diff_density_rms         0.102

_shelxl_version_number           2014/4

_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: tetrahydrofuran'
_database_code_depnum_ccdc_archive 'CCDC 1019652'
