# Electronic Supplementary Material (ESI) for Dalton Transactions.
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data_Gd7
_vrf_PLAT019_Gd7                 
;
PROBLEM: _diffrn_measured_fraction_theta_full/_max < 1.0 0.976 Report
RESPONSE: Significant disorder in these structures leads to weak diffraction spots, and therefore prevents 100% completeness. 
;
_vrf_PLAT220_Gd7                 
;
PROBLEM: Large Non-Solvent C Ueq(max)/Ueq(min) Range 6.2 Ratio
RESPONSE: This is likely due to minor unresolved order on the terminal methyl groups.
;
_vrf_PLAT342_Gd7                 
;
PROBLEM: Low Bond Precision on C-C Bonds ............... 0.0212 Ang.
RESPONSE: Significant disorder results in many weak reflections, and as a consequence a low C-C bond precision.
;
_vrf_PLAT430_Gd7                 
;
PROBLEM: Short Inter D...A Contact O1A .. O16 .. 2.78 Ang.
RESPONSE: This nitrate counterion has large ADPs caused by heavy disorder. 
;
_audit_creation_date             2014-10-30
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.09.19 svn.r3010 for OlexSys, GUI svn.r4874)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C78 H72 Gd7 N22 O32, 3(N O3)'
_chemical_formula_sum            'C78 H72 Gd7 N25 O41'
_chemical_formula_weight         3116.35
_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'
Gd Gd -0.1653 3.9035 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   14.741(5)
_cell_length_b                   16.229(5)
_cell_length_c                   24.658(5)
_cell_angle_alpha                104.005(5)
_cell_angle_beta                 97.732(5)
_cell_angle_gamma                92.583(5)
_cell_volume                     5653(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    6646
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.65
_cell_measurement_theta_min      2.43
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.135
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5433
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2008/1 (Bruker,2008) was used for absorption correction. wR2(int) was 0.1025 before and 0.0496 after correction. The Ratio of minimum to maximum transmission is 0.7286. The λ/2 correction factor is 0.0015.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.831
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2982
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1374
_diffrn_reflns_av_unetI/netI     0.2436
_diffrn_reflns_Laue_measured_fraction_full 0.965
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            46014
_diffrn_reflns_point_group_measured_fraction_full 0.965
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.240
_diffrn_reflns_theta_max         25.026
_diffrn_reflns_theta_min         4.085
_diffrn_reflns_v_R_equivalents   ?
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.965
_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     0.71069
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11095
_reflns_number_total             19755
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         3.856
_refine_diff_density_min         -2.268
_refine_diff_density_rms         0.235
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1294
_refine_ls_number_reflns         19755
_refine_ls_number_restraints     2303
_refine_ls_R_factor_all          0.1349
_refine_ls_R_factor_gt           0.0724
_refine_ls_restrained_S_all      0.985
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0721P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1537
_refine_ls_wR_factor_ref         0.1694
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 O1C-N1A \\sim N1A-O1A
 with sigma of 0.02
 O1A-N1A \\sim N1A-O1B
 with sigma of 0.02
 O1B-N1A \\sim N1A-O1C
 with sigma of 0.02
 O1C-O1B \\sim O1B-O1A
 with sigma of 0.02
 O1F-N1B \\sim N1B-O1E
 with sigma of 0.02
 O1E-N1B \\sim N1B-O1D
 with sigma of 0.02
 O1D-N1B \\sim N1B-O1F
 with sigma of 0.02
 O1F-O1E \\sim O1E-O1D
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C9) = Uanis(N3) = Uanis(N2)
Uanis(N4) = Uanis(C21) = Uanis(C19)
Uanis(O1B) = Uanis(N1A) = Uanis(O1C) = Uanis(O1A)
Uanis(O1F) = Uanis(N1B) = Uanis(O1D) = Uanis(O1E)
4. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5.a Aromatic/amide H refined with riding coordinates:
 N2(H2), N5(H5), N8(H8), N11(H11), N14(H14), N17(H17), C3(H3), C4(H4), C5(H5A),
  C8(H8A), C10(H10), C11(H11A), C12(H12), C13(H13), C16(H16), C17(H17A),
 C18(H18), C21(H21), C23(H23), C24(H24), C25(H25), C26(H26), C29(H29), C30(H30),
  C31(H31), C34(H34), C36(H36), C37(H37), C38(H38), C39(H39), C42(H42),
 C43(H43), C44(H44), C47(H47), C49(H49), C53(H53), C54(H54), C55(H55), C58(H58),
  C60(H60), C61(H61), C62(H62), C63(H63), C70(H70), C72(H72), C74(H74),
 C66(H66), C69(H69), C111(H111), C112(H112), C113(H113), C114(H114), C115(H115),
  C116(H116)
5.b Fitted hexagon refined as free rotating group:
 C74(C66,C65,C67,C68,C69)
5.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C14(H14A,H14B,H14C), C27(H27A,H27B,H27C), C40(H40A,H40B,
 H40C), C51(H51A,H51B,H51C), C64(H64A,H64B,H64C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Gd1 Gd 0.70773(5) 0.24458(4) 0.58596(3) 0.02322(18) Uani 1 1 d . . . . .
Gd2 Gd 0.72118(5) 0.09653(4) 0.67466(3) 0.02389(18) Uani 1 1 d . . . . .
Gd3 Gd 0.64256(5) 0.15061(4) 0.82227(3) 0.02885(19) Uani 1 1 d . . . . .
Gd4 Gd 0.63977(7) 0.39728(4) 0.87554(3) 0.0517(3) Uani 1 1 d . . . . .
Gd5 Gd 0.81354(6) 0.51122(4) 0.82515(3) 0.0412(2) Uani 1 1 d . . . . .
Gd6 Gd 0.82802(5) 0.47030(4) 0.66468(3) 0.02580(19) Uani 1 1 d . . . . .
Gd7 Gd 0.69860(6) 0.31652(4) 0.73604(3) 0.0364(2) Uani 1 1 d . . . . .
O1 O 0.7383(6) -0.0459(5) 0.6113(4) 0.028(2) Uani 1 1 d . . . . .
O2 O 0.7297(6) 0.0972(5) 0.5782(3) 0.0252(18) Uani 1 1 d . . . . .
O3 O 0.9177(6) 0.2007(5) 0.5810(4) 0.030(2) Uani 1 1 d . . . . .
O4 O 0.8391(6) 0.3434(5) 0.5935(3) 0.0202(17) Uani 1 1 d . . . . .
O5 O 0.8089(6) 0.5728(5) 0.7478(4) 0.0305(19) Uani 1 1 d . . . . .
O6 O 0.7050(7) 0.6366(5) 0.8219(4) 0.039(2) Uani 1 1 d . . . . .
O7 O 0.8680(8) 0.6420(6) 0.9052(5) 0.063(3) Uani 1 1 d . . . . .
O8 O 0.7470(8) 0.5215(6) 0.9102(4) 0.056(2) Uani 1 1 d . . . . .
O9 O 0.8309(7) 0.3708(6) 0.9546(4) 0.042(3) Uani 1 1 d . . . . .
O10 O 0.6856(7) 0.2701(5) 0.9016(4) 0.038(2) Uani 1 1 d . . . . .
O11 O 0.6215(6) 0.0520(5) 0.7325(4) 0.0281(19) Uani 1 1 d . . . . .
O12 O 0.5588(6) 0.0202(5) 0.6259(4) 0.032(2) Uani 1 1 d . . . . .
O13 O 0.7475(6) 0.1893(5) 0.7673(3) 0.0291(19) Uani 1 1 d . . . . .
O14 O 0.5935(7) 0.2744(5) 0.7970(4) 0.041(2) Uani 1 1 d . . . . .
O15 O 0.7741(7) 0.3708(5) 0.8341(4) 0.039(2) Uani 1 1 d . . . . .
O16 O 0.8392(7) 0.4094(5) 0.7417(4) 0.032(2) Uani 1 1 d . . . . .
O17 O 0.6942(6) 0.3775(5) 0.6538(4) 0.0282(19) Uani 1 1 d . . . . .
O18 O 0.7912(6) 0.2320(5) 0.6718(3) 0.0269(18) Uani 1 1 d . . . . .
O19 O 0.6255(6) 0.2006(5) 0.6567(4) 0.0271(18) Uani 1 1 d . . . . .
O20 O 0.5374(6) 0.2846(5) 0.5760(4) 0.030(2) Uani 1 1 d . . . . .
O21 O 0.4322(7) 0.2172(6) 0.5079(4) 0.042(3) Uani 1 1 d . . . . .
O22 O 0.5682(6) 0.1696(5) 0.5187(3) 0.0250(18) Uani 1 1 d . . . . .
O23 O 0.4809(9) 0.4165(7) 0.8207(5) 0.071(3) Uani 1 1 d . . . . .
O24 O 0.5316(10) 0.5159(7) 0.8964(6) 0.075(3) Uani 1 1 d . . . . .
O25 O 0.3881(11) 0.5135(8) 0.8550(6) 0.096(4) Uani 1 1 d . . . . .
O26 O 0.8101(7) 0.0076(5) 0.7302(4) 0.032(2) Uani 1 1 d . . . . .
O27 O 0.8886(7) 0.0830(6) 0.6881(4) 0.038(2) Uani 1 1 d . . . . .
O28 O 0.9541(9) -0.0111(9) 0.7282(6) 0.092(5) Uani 1 1 d . . . . .
O29 O 0.9575(9) 0.4634(8) 0.8641(5) 0.075(3) Uani 1 1 d . . . . .
O30 O 0.9785(9) 0.5579(8) 0.8158(5) 0.073(3) Uani 1 1 d . . . . .
O31 O 1.1012(12) 0.4994(12) 0.8497(7) 0.126(6) Uani 1 1 d . . . . .
O46 O 0.6626(7) 0.4522(5) 0.7921(4) 0.041(2) Uani 1 1 d . . . . .
N1 N 0.7457(7) 0.1785(6) 0.4859(4) 0.026(2) Uani 1 1 d . . . . .
N2 N 0.7496(7) 0.2341(6) 0.4513(4) 0.0262(14) Uani 1 1 d . . . . .
H2 H 0.7787 0.2209 0.4219 0.031 Uiso 1 1 calc R . . . .
N3 N 0.6696(8) 0.3292(6) 0.5095(4) 0.0262(14) Uani 1 1 d . . . . .
N4 N 0.8309(8) 0.5023(6) 0.5683(4) 0.0267(15) Uani 1 1 d . . . . .
N5 N 0.7917(8) 0.5772(6) 0.5636(5) 0.032(2) Uani 1 1 d . . . . .
H5 H 0.8123 0.6086 0.5427 0.039 Uiso 1 1 calc R . . . .
N6 N 0.7097(8) 0.5625(6) 0.6354(5) 0.030(2) Uani 1 1 d . . . . .
N7 N 0.9972(8) 0.4550(6) 0.6636(5) 0.033(2) Uani 1 1 d . . . . .
N8 N 1.0152(8) 0.5934(6) 0.6569(5) 0.035(3) Uani 1 1 d . . . . .
H8 H 1.0402 0.6310 0.6417 0.042 Uiso 1 1 calc R . . . .
N9 N 0.9352(8) 0.6062(6) 0.6798(4) 0.027(2) Uani 1 1 d . . . . .
N10 N 0.6377(11) 0.4472(8) 0.9826(6) 0.061(3) Uani 1 1 d . . . . .
N11 N 0.5773(12) 0.4042(9) 1.0057(6) 0.072(4) Uani 1 1 d . . . . .
H11 H 0.5821 0.4130 1.0426 0.086 Uiso 1 1 calc R . . . .
N12 N 0.5009(12) 0.3399(8) 0.9144(6) 0.067(3) Uani 1 1 d . . . . .
N13 N 0.5601(9) 0.1375(7) 0.9046(5) 0.042(3) Uani 1 1 d . . . . .
N14 N 0.4774(9) 0.0840(7) 0.8874(5) 0.040(3) Uani 1 1 d . . . . .
H14 H 0.4559 0.0578 0.9109 0.048 Uiso 1 1 calc R . . . .
N15 N 0.4718(9) 0.1087(7) 0.8002(5) 0.040(3) Uani 1 1 d . . . . .
N16 N 0.7749(9) 0.1012(7) 0.8807(5) 0.042(3) Uani 1 1 d . . . . .
N17 N 0.6773(9) -0.0147(8) 0.8813(5) 0.046(3) Uani 1 1 d . . . . .
H17 H 0.6557 -0.0519 0.8981 0.055 Uiso 1 1 calc R . . . .
N18 N 0.6334(8) -0.0036(6) 0.8299(4) 0.029(2) Uani 1 1 d . . . . .
N19 N 0.5115(8) 0.2234(7) 0.5329(5) 0.028(2) Uani 1 1 d . . . . .
N20 N 0.4691(14) 0.4856(9) 0.8584(7) 0.073(4) Uani 1 1 d . . . . .
N21 N 1.0146(14) 0.5063(10) 0.8449(7) 0.076(4) Uani 1 1 d . . . . .
N22 N 0.8875(9) 0.0253(7) 0.7165(5) 0.040(3) Uani 1 1 d . . . . .
C1 C 0.7248(10) -0.1258(7) 0.6252(6) 0.029(3) Uani 1 1 d . . . . .
H1A H 0.7826 -0.1533 0.6261 0.043 Uiso 1 1 calc GR . . . .
H1B H 0.6779 -0.1627 0.5966 0.043 Uiso 1 1 calc GR . . . .
H1C H 0.7046 -0.1163 0.6623 0.043 Uiso 1 1 calc GR . . . .
C2 C 0.7520(9) -0.0512(7) 0.5546(5) 0.027(3) Uani 1 1 d . . . . .
C3 C 0.7714(11) -0.1245(8) 0.5192(6) 0.038(4) Uani 1 1 d . . . . .
H3 H 0.7751 -0.1758 0.5312 0.046 Uiso 1 1 calc R . . . .
C4 C 0.7856(10) -0.1225(8) 0.4647(6) 0.034(3) Uani 1 1 d . . . . .
H4 H 0.7944 -0.1738 0.4383 0.040 Uiso 1 1 calc R . . . .
C5 C 0.7870(10) -0.0473(8) 0.4492(6) 0.032(3) Uani 1 1 d . . . . .
H5A H 0.8030 -0.0459 0.4133 0.038 Uiso 1 1 calc R . . . .
C6 C 0.7651(10) 0.0287(8) 0.4854(6) 0.030(3) Uani 1 1 d . . . . .
C7 C 0.7487(8) 0.0289(7) 0.5402(5) 0.019(2) Uani 1 1 d . . . . .
C8 C 0.7634(9) 0.1019(8) 0.4624(6) 0.030(3) Uani 1 1 d . . . . .
H8A H 0.7771 0.0929 0.4250 0.036 Uiso 1 1 calc R . . . .
C9 C 0.7090(9) 0.3083(7) 0.4622(5) 0.0262(14) Uani 1 1 d . . . . .
C10 C 0.7019(9) 0.3544(7) 0.4208(6) 0.029(3) Uani 1 1 d . . . . .
H10 H 0.7281 0.3357 0.3871 0.034 Uiso 1 1 calc R . . . .
C11 C 0.6551(10) 0.4291(8) 0.4301(6) 0.034(3) Uani 1 1 d . . . . .
H11A H 0.6512 0.4633 0.4037 0.041 Uiso 1 1 calc R . . . .
C12 C 0.6144(10) 0.4520(8) 0.4792(6) 0.035(3) Uani 1 1 d . . . . .
H12 H 0.5801 0.5007 0.4860 0.042 Uiso 1 1 calc R . . . .
C13 C 0.6248(9) 0.4032(7) 0.5168(6) 0.028(3) Uani 1 1 d . . . . .
H13 H 0.5994 0.4213 0.5507 0.033 Uiso 1 1 calc R . . . .
C14 C 0.9681(10) 0.1263(8) 0.5774(6) 0.035(4) Uani 1 1 d . . . . .
H14A H 0.9486 0.0861 0.5405 0.052 Uiso 1 1 calc GR . . . .
H14B H 0.9561 0.0992 0.6074 0.052 Uiso 1 1 calc GR . . . .
H14C H 1.0339 0.1429 0.5817 0.052 Uiso 1 1 calc GR . . . .
C15 C 0.9386(9) 0.2513(8) 0.5442(6) 0.030(3) Uani 1 1 d . . . . .
C16 C 0.9941(9) 0.2331(8) 0.5037(6) 0.032(3) Uani 1 1 d . . . . .
H16 H 1.0243 0.1819 0.4987 0.038 Uiso 1 1 calc R . . . .
C17 C 1.0070(10) 0.2861(8) 0.4708(6) 0.034(3) Uani 1 1 d . . . . .
H17A H 1.0430 0.2704 0.4413 0.041 Uiso 1 1 calc R . . . .
C18 C 0.9676(10) 0.3645(8) 0.4796(6) 0.034(3) Uani 1 1 d . . . . .
H18 H 0.9774 0.4023 0.4566 0.040 Uiso 1 1 calc R . . . .
C19 C 0.9132(9) 0.3868(7) 0.5234(5) 0.0267(15) Uani 1 1 d . . . . .
C20 C 0.8953(9) 0.3282(7) 0.5549(5) 0.023(3) Uani 1 1 d . . . . .
C21 C 0.8702(9) 0.4652(7) 0.5263(5) 0.0267(15) Uani 1 1 d . . . . .
H21 H 0.8709 0.4912 0.4957 0.032 Uiso 1 1 calc R . . . .
C22 C 0.7203(9) 0.6002(7) 0.5923(6) 0.028(3) Uani 1 1 d . . . . .
C23 C 0.6612(10) 0.6580(7) 0.5780(6) 0.031(3) Uani 1 1 d . . . . .
H23 H 0.6699 0.6822 0.5474 0.037 Uiso 1 1 calc R . . . .
C24 C 0.5913(10) 0.6800(8) 0.6072(6) 0.035(3) Uani 1 1 d . . . . .
H24 H 0.5521 0.7212 0.5981 0.042 Uiso 1 1 calc R . . . .
C25 C 0.5765(11) 0.6423(8) 0.6509(6) 0.041(3) Uani 1 1 d . . . . .
H25 H 0.5265 0.6556 0.6713 0.050 Uiso 1 1 calc R . . . .
C26 C 0.6380(10) 0.5845(7) 0.6632(6) 0.031(3) Uani 1 1 d . . . . .
H26 H 0.6289 0.5589 0.6930 0.037 Uiso 1 1 calc R . . . .
C27 C 0.6483(10) 0.6690(8) 0.8624(6) 0.039(4) Uani 1 1 d . . . . .
H27A H 0.6253 0.6227 0.8774 0.058 Uiso 1 1 calc GR . . . .
H27B H 0.5963 0.6937 0.8446 0.058 Uiso 1 1 calc GR . . . .
H27C H 0.6837 0.7131 0.8933 0.058 Uiso 1 1 calc GR . . . .
C28 C 0.7443(9) 0.6934(7) 0.7959(6) 0.027(3) Uani 1 1 d . . . . .
C29 C 0.7299(11) 0.7813(8) 0.8093(6) 0.039(4) Uani 1 1 d . . . . .
H29 H 0.6898 0.8042 0.8352 0.047 Uiso 1 1 calc R . . . .
C30 C 0.7769(11) 0.8326(8) 0.7828(6) 0.040(4) Uani 1 1 d . . . . .
H30 H 0.7693 0.8919 0.7907 0.048 Uiso 1 1 calc R . . . .
C31 C 0.8334(11) 0.7985(8) 0.7457(6) 0.039(4) Uani 1 1 d . . . . .
H31 H 0.8658 0.8354 0.7290 0.047 Uiso 1 1 calc R . . . .
C32 C 0.8463(10) 0.7125(8) 0.7310(6) 0.033(3) Uani 1 1 d . . . . .
C33 C 0.7990(9) 0.6567(7) 0.7556(6) 0.027(3) Uani 1 1 d . . . . .
C34 C 0.9179(11) 0.6838(8) 0.6985(6) 0.044(4) Uani 1 1 d . . . . .
H34 H 0.9560 0.7264 0.6901 0.053 Uiso 1 1 calc R . . . .
C35 C 1.0539(10) 0.5183(8) 0.6593(6) 0.036(3) Uani 1 1 d . . . . .
C36 C 1.1459(11) 0.5129(10) 0.6546(7) 0.056(4) Uani 1 1 d . . . . .
H36 H 1.1821 0.5588 0.6487 0.067 Uiso 1 1 calc R . . . .
C37 C 1.1829(13) 0.4376(10) 0.6591(8) 0.065(5) Uani 1 1 d . . . . .
H37 H 1.2465 0.4316 0.6579 0.078 Uiso 1 1 calc R . . . .
C38 C 1.1263(11) 0.3707(9) 0.6651(6) 0.046(4) Uani 1 1 d . . . . .
H38 H 1.1508 0.3187 0.6685 0.056 Uiso 1 1 calc R . . . .
C39 C 1.0339(10) 0.3806(8) 0.6663(6) 0.036(3) Uani 1 1 d . . . . .
H39 H 0.9950 0.3340 0.6691 0.043 Uiso 1 1 calc R . . . .
C40 C 0.5212(10) 0.0089(8) 0.5679(6) 0.036(4) Uani 1 1 d . . . . .
H40A H 0.5453 0.0559 0.5540 0.053 Uiso 1 1 calc GR . . . .
H40B H 0.4541 0.0082 0.5642 0.053 Uiso 1 1 calc GR . . . .
H40C H 0.5384 -0.0452 0.5456 0.053 Uiso 1 1 calc GR . . . .
C41 C 0.5257(10) -0.0343(7) 0.6543(6) 0.030(3) Uani 1 1 d . . . . .
C42 C 0.4600(10) -0.1035(8) 0.6284(6) 0.036(4) Uani 1 1 d . . . . .
H42 H 0.4359 -0.1143 0.5893 0.044 Uiso 1 1 calc R . . . .
C43 C 0.4308(10) -0.1564(8) 0.6620(6) 0.041(4) Uani 1 1 d . . . . .
H43 H 0.3846 -0.2017 0.6463 0.050 Uiso 1 1 calc R . . . .
C44 C 0.4694(10) -0.1416(8) 0.7164(6) 0.038(4) Uani 1 1 d . . . . .
H44 H 0.4530 -0.1797 0.7379 0.045 Uiso 1 1 calc R . . . .
C45 C 0.5334(9) -0.0715(7) 0.7426(5) 0.026(3) Uani 1 1 d . . . . .
C46 C 0.5600(10) -0.0167(7) 0.7129(6) 0.029(3) Uani 1 1 d . . . . .
C47 C 0.5755(10) -0.0674(8) 0.8005(5) 0.033(3) Uani 1 1 d . . . . .
H47 H 0.5604 -0.1122 0.8172 0.039 Uiso 1 1 calc R . . . .
C48 C 0.7553(11) 0.0360(9) 0.9034(6) 0.039(3) Uani 1 1 d . . . . .
C49 C 0.8098(12) 0.0153(11) 0.9494(7) 0.060(5) Uani 1 1 d . . . . .
H49 H 0.7911 -0.0298 0.9649 0.072 Uiso 1 1 calc R . . . .
C51 C 0.9110(11) 0.4213(10) 0.9817(7) 0.055(5) Uani 1 1 d . . . . .
H51A H 0.9226 0.4650 0.9617 0.082 Uiso 1 1 calc GR . . . .
H51B H 0.9628 0.3855 0.9818 0.082 Uiso 1 1 calc GR . . . .
H51C H 0.9037 0.4487 1.0208 0.082 Uiso 1 1 calc GR . . . .
C52 C 0.7958(11) 0.3207(9) 0.9850(6) 0.042(4) Uani 1 1 d . . . . .
C53 C 0.8278(13) 0.3233(11) 1.0403(7) 0.063(5) Uani 1 1 d . . . . .
H53 H 0.8792 0.3610 1.0603 0.076 Uiso 1 1 calc R . . . .
C54 C 0.7838(16) 0.2701(14) 1.0661(8) 0.102(9) Uani 1 1 d . . . . .
H54 H 0.8057 0.2714 1.1044 0.123 Uiso 1 1 calc R . . . .
C55 C 0.7109(14) 0.2164(12) 1.0387(7) 0.073(6) Uani 1 1 d . . . . .
H55 H 0.6839 0.1792 1.0576 0.087 Uiso 1 1 calc R . . . .
C56 C 0.6737(13) 0.2142(10) 0.9825(6) 0.056(5) Uani 1 1 d . . . . .
C57 C 0.7161(11) 0.2666(9) 0.9543(6) 0.040(3) Uani 1 1 d . . . . .
C58 C 0.5905(12) 0.1592(9) 0.9583(6) 0.047(4) Uani 1 1 d . . . . .
H58 H 0.5568 0.1382 0.9830 0.056 Uiso 1 1 calc R . . . .
C59 C 0.4336(11) 0.0740(8) 0.8365(7) 0.040(3) Uani 1 1 d . . . . .
C60 C 0.3446(13) 0.0244(11) 0.8187(8) 0.066(5) Uani 1 1 d . . . . .
H60 H 0.3196 -0.0029 0.8440 0.079 Uiso 1 1 calc R . . . .
C61 C 0.2987(13) 0.0172(12) 0.7675(8) 0.072(5) Uani 1 1 d . . . . .
H61 H 0.2399 -0.0132 0.7565 0.086 Uiso 1 1 calc R . . . .
C62 C 0.3373(12) 0.0545(10) 0.7304(7) 0.056(4) Uani 1 1 d . . . . .
H62 H 0.3062 0.0508 0.6934 0.067 Uiso 1 1 calc R . . . .
C63 C 0.4242(11) 0.0979(8) 0.7495(6) 0.039(3) Uani 1 1 d . . . . .
H63 H 0.4514 0.1219 0.7234 0.047 Uiso 1 1 calc R . . . .
C64 C 0.9187(12) 0.7147(10) 0.8979(7) 0.063(5) Uani 1 1 d . . . . .
H64A H 0.8795 0.7622 0.9004 0.095 Uiso 1 1 calc GR . . . .
H64B H 0.9392 0.7008 0.8608 0.095 Uiso 1 1 calc GR . . . .
H64C H 0.9723 0.7309 0.9276 0.095 Uiso 1 1 calc GR . . . .
C70 C 0.6904(14) 0.5068(11) 1.0179(9) 0.076(5) Uani 1 1 d . . . . .
H70 H 0.6836 0.5110 1.0562 0.091 Uiso 1 1 calc R . . . .
C71 C 0.5100(16) 0.3479(11) 0.9716(8) 0.073(4) Uani 1 1 d . . . . .
C72 C 0.4276(15) 0.2896(10) 0.8837(8) 0.071(4) Uani 1 1 d . . . . .
H72 H 0.4187 0.2816 0.8438 0.085 Uiso 1 1 calc R . . . .
C74 C 0.8646(10) 0.6881(9) 1.0585(4) 0.125(10) Uani 1 1 d . . . . .
H74 H 0.8947 0.7260 1.0925 0.150 Uiso 1 1 calc R . . . .
C66 C 0.8840(10) 0.6973(8) 1.0065(6) 0.115(9) Uani 1 1 d G . . . .
H66 H 0.9273 0.7415 1.0050 0.138 Uiso 1 1 calc R . . . .
C65 C 0.8400(10) 0.6419(8) 0.9568(4) 0.079(6) Uani 1 1 d G . . . .
C67 C 0.7766(9) 0.5772(7) 0.9591(4) 0.055(4) Uani 1 1 d G . . . .
C68 C 0.7572(9) 0.5679(7) 1.0110(6) 0.079(5) Uani 1 1 d G . . . .
C69 C 0.8012(10) 0.6234(9) 1.0607(4) 0.085(6) Uani 1 1 d G . . . .
H69 H 0.7880 0.6171 1.0962 0.102 Uiso 1 1 calc R . . . .
C111 C 0.3643(15) 0.2489(10) 0.9072(9) 0.075(5) Uani 1 1 d . . . . .
H111 H 0.3141 0.2131 0.8838 0.089 Uiso 1 1 calc R . . . .
C112 C 0.3753(17) 0.2612(12) 0.9649(9) 0.089(5) Uani 1 1 d . . . . .
H112 H 0.3305 0.2348 0.9809 0.106 Uiso 1 1 calc R . . . .
C113 C 0.4503(16) 0.3113(11) 1.0014(9) 0.078(5) Uani 1 1 d . . . . .
H113 H 0.4597 0.3194 1.0413 0.093 Uiso 1 1 calc R . . . .
C114 C 0.8575(12) 0.1461(11) 0.9006(8) 0.068(5) Uani 1 1 d . . . . .
H114 H 0.8768 0.1890 0.8834 0.081 Uiso 1 1 calc R . . . .
C115 C 0.9121(15) 0.1303(15) 0.9445(10) 0.101(8) Uani 1 1 d . . . . .
H115 H 0.9677 0.1653 0.9591 0.121 Uiso 1 1 calc R . . . .
C116 C 0.8908(16) 0.0638(16) 0.9701(11) 0.119(9) Uani 1 1 d . . . . .
H116 H 0.9315 0.0535 1.0006 0.143 Uiso 1 1 calc R . . . .
O32 O 0.8435(9) 0.2725(6) 0.3321(6) 0.075(4) Uani 1 1 d . . . . .
O33 O 0.9096(12) 0.1631(8) 0.2918(7) 0.120(7) Uani 1 1 d . . . . .
O34 O 0.8132(7) 0.1494(6) 0.3464(4) 0.051(3) Uani 1 1 d . . . . .
N23 N 0.8554(10) 0.1941(8) 0.3235(6) 0.057(4) Uani 1 1 d . . . . .
O1A O 0.9657(11) 0.2899(11) 0.7500(7) 0.122(3) Uani 1 1 d . . . . .
O1B O 1.0727(13) 0.2261(11) 0.7964(6) 0.122(3) Uani 1 1 d . . . . .
N1A N 0.9913(13) 0.2519(13) 0.7883(7) 0.122(3) Uani 1 1 d . . . . .
O1C O 0.9288(10) 0.2431(11) 0.8174(7) 0.122(3) Uani 1 1 d . . . . .
O1D O 0.5096(12) 0.5572(11) 0.7590(8) 0.133(4) Uani 1 1 d . . . . .
O1E O 0.3877(12) 0.5943(11) 0.7137(8) 0.133(4) Uani 1 1 d . . . . .
N1B N 0.4387(13) 0.5385(11) 0.7229(9) 0.133(4) Uani 1 1 d . . . . .
O1F O 0.4139(12) 0.4622(10) 0.7004(8) 0.133(4) 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 Gd2 3.6146(11) . ?
Gd1 Gd7 3.6241(12) . ?
Gd1 O2 2.394(8) . ?
Gd1 O4 2.416(7) . ?
Gd1 O17 2.424(8) . ?
Gd1 O18 2.360(9) . ?
Gd1 O19 2.474(8) . ?
Gd1 O20 2.616(9) . ?
Gd1 O22 2.519(8) . ?
Gd1 N1 2.588(10) . ?
Gd1 N3 2.605(10) . ?
Gd1 N19 2.979(12) . ?
Gd2 Gd7 3.5743(13) . ?
Gd2 O1 2.501(8) . ?
Gd2 O2 2.400(8) . ?
Gd2 O11 2.384(8) . ?
Gd2 O12 2.635(9) . ?
Gd2 O13 2.384(8) . ?
Gd2 O18 2.407(7) . ?
Gd2 O19 2.333(9) . ?
Gd2 O26 2.514(9) . ?
Gd2 O27 2.473(10) . ?
Gd2 N22 2.927(14) . ?
Gd3 Gd4 3.9034(15) . ?
Gd3 Gd7 3.9365(12) . ?
Gd3 O10 2.390(9) . ?
Gd3 O11 2.369(8) . ?
Gd3 O13 2.347(8) . ?
Gd3 O14 2.360(10) . ?
Gd3 N13 2.549(12) . ?
Gd3 N15 2.529(12) . ?
Gd3 N16 2.543(13) . ?
Gd3 N18 2.554(10) . ?
Gd4 Gd5 3.6147(14) . ?
Gd4 Gd7 3.6089(12) . ?
Gd4 O8 2.410(11) . ?
Gd4 O10 2.405(9) . ?
Gd4 O14 2.418(9) . ?
Gd4 O15 2.358(10) . ?
Gd4 O23 2.613(14) . ?
Gd4 O24 2.555(13) . ?
Gd4 O46 2.488(9) . ?
Gd4 N10 2.571(13) . ?
Gd4 N12 2.601(15) . ?
Gd4 N20 2.98(2) . ?
Gd5 Gd7 3.5830(12) . ?
Gd5 O5 2.354(9) . ?
Gd5 O6 2.654(9) . ?
Gd5 O7 2.538(10) . ?
Gd5 O8 2.406(11) . ?
Gd5 O15 2.395(8) . ?
Gd5 O16 2.394(8) . ?
Gd5 O29 2.447(13) . ?
Gd5 O30 2.571(13) . ?
Gd5 O46 2.340(10) . ?
Gd5 N21 2.95(2) . ?
Gd6 Gd7 3.9451(12) . ?
Gd6 O4 2.389(8) . ?
Gd6 O5 2.365(8) . ?
Gd6 O16 2.335(8) . ?
Gd6 O17 2.371(8) . ?
Gd6 N4 2.556(10) . ?
Gd6 N6 2.494(11) . ?
Gd6 N7 2.520(12) . ?
Gd6 N9 2.575(9) . ?
Gd7 O13 2.476(8) . ?
Gd7 O14 2.480(9) . ?
Gd7 O15 2.454(9) . ?
Gd7 O16 2.474(9) . ?
Gd7 O17 2.457(9) . ?
Gd7 O18 2.439(8) . ?
Gd7 O19 2.448(8) . ?
Gd7 O46 2.423(9) . ?
O1 C1 1.431(13) . ?
O1 C2 1.422(14) . ?
O2 C7 1.335(14) . ?
O3 C14 1.437(15) . ?
O3 C15 1.415(15) . ?
O4 C20 1.329(14) . ?
O5 C33 1.344(14) . ?
O6 C27 1.409(15) . ?
O6 C28 1.391(14) . ?
O7 C64 1.430(18) . ?
O7 C65 1.390(14) . ?
O8 C67 1.325(12) . ?
O9 C51 1.395(16) . ?
O9 C52 1.361(16) . ?
O10 C57 1.331(16) . ?
O11 C46 1.351(14) . ?
O12 C40 1.428(15) . ?
O12 C41 1.364(14) . ?
O20 N19 1.268(12) . ?
O21 N19 1.233(14) . ?
O22 N19 1.257(13) . ?
O23 N20 1.308(17) . ?
O24 N20 1.21(2) . ?
O25 N20 1.30(2) . ?
O26 N22 1.273(14) . ?
O27 N22 1.299(14) . ?
O28 N22 1.205(16) . ?
O29 N21 1.28(2) . ?
O30 N21 1.315(19) . ?
O31 N21 1.28(2) . ?
N1 N2 1.389(14) . ?
N1 C8 1.292(15) . ?
N2 C9 1.354(16) . ?
N3 C9 1.350(15) . ?
N3 C13 1.383(16) . ?
N4 N5 1.393(14) . ?
N4 C21 1.289(16) . ?
N5 C22 1.362(16) . ?
N6 C22 1.371(16) . ?
N6 C26 1.351(17) . ?
N7 C35 1.329(16) . ?
N7 C39 1.358(17) . ?
N8 N9 1.377(15) . ?
N8 C35 1.380(17) . ?
N9 C34 1.282(16) . ?
N10 N11 1.370(18) . ?
N10 C70 1.28(2) . ?
N11 C71 1.36(2) . ?
N12 C71 1.37(2) . ?
N12 C72 1.35(2) . ?
N13 N14 1.416(15) . ?
N13 C58 1.295(17) . ?
N14 C59 1.301(18) . ?
N15 C59 1.335(17) . ?
N15 C63 1.318(17) . ?
N16 C48 1.350(17) . ?
N16 C114 1.356(19) . ?
N17 N18 1.400(15) . ?
N17 C48 1.350(17) . ?
N18 C47 1.309(15) . ?
C2 C3 1.363(17) . ?
C2 C7 1.430(16) . ?
C3 C4 1.394(17) . ?
C4 C5 1.366(17) . ?
C5 C6 1.416(17) . ?
C6 C7 1.403(17) . ?
C6 C8 1.435(17) . ?
C9 C10 1.401(17) . ?
C10 C11 1.409(18) . ?
C11 C12 1.400(18) . ?
C12 C13 1.355(18) . ?
C15 C16 1.361(18) . ?
C15 C20 1.411(17) . ?
C16 C17 1.341(17) . ?
C17 C18 1.405(18) . ?
C18 C19 1.417(18) . ?
C19 C20 1.403(16) . ?
C19 C21 1.438(18) . ?
C22 C23 1.384(18) . ?
C23 C24 1.348(19) . ?
C24 C25 1.397(19) . ?
C25 C26 1.390(19) . ?
C28 C29 1.416(16) . ?
C28 C33 1.402(18) . ?
C29 C30 1.390(17) . ?
C30 C31 1.356(19) . ?
C31 C32 1.383(18) . ?
C32 C33 1.413(17) . ?
C32 C34 1.437(19) . ?
C35 C36 1.38(2) . ?
C36 C37 1.38(2) . ?
C37 C38 1.39(2) . ?
C38 C39 1.382(19) . ?
C41 C42 1.412(17) . ?
C41 C46 1.419(18) . ?
C42 C43 1.421(18) . ?
C43 C44 1.344(18) . ?
C44 C45 1.410(17) . ?
C45 C46 1.357(17) . ?
C45 C47 1.464(18) . ?
C48 C49 1.42(2) . ?
C49 C116 1.37(2) . ?
C52 C53 1.37(2) . ?
C52 C57 1.44(2) . ?
C53 C54 1.38(2) . ?
C54 C55 1.34(2) . ?
C55 C56 1.41(2) . ?
C56 C57 1.40(2) . ?
C56 C58 1.45(2) . ?
C59 C60 1.46(2) . ?
C60 C61 1.32(2) . ?
C61 C62 1.38(2) . ?
C62 C63 1.40(2) . ?
C70 C68 1.42(2) . ?
C71 C113 1.42(2) . ?
C72 C111 1.38(2) . ?
C74 C66 1.3900 . ?
C74 C69 1.3900 . ?
C66 C65 1.3900 . ?
C65 C67 1.3900 . ?
C67 C68 1.3900 . ?
C68 C69 1.3900 . ?
C111 C112 1.38(3) . ?
C112 C113 1.41(3) . ?
C114 C115 1.34(3) . ?
C115 C116 1.42(3) . ?
O32 N23 1.261(15) . ?
O33 N23 1.233(15) . ?
O34 N23 1.218(14) . ?
O1A N1A 1.273(15) . ?
O1B N1A 1.295(14) . ?
N1A O1C 1.266(14) . ?
O1D N1B 1.251(14) . ?
O1E N1B 1.244(15) . ?
N1B O1F 1.243(15) . ?

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
Gd2 Gd1 Gd7 59.18(2) . . ?
O2 Gd1 Gd2 41.13(19) . . ?
O2 Gd1 Gd7 100.24(19) . . ?
O2 Gd1 O4 119.4(3) . . ?
O2 Gd1 O17 142.6(3) . . ?
O2 Gd1 O19 73.0(3) . . ?
O2 Gd1 O20 116.2(3) . . ?
O2 Gd1 O22 77.0(3) . . ?
O2 Gd1 N1 71.8(3) . . ?
O2 Gd1 N3 131.7(3) . . ?
O2 Gd1 N19 97.7(3) . . ?
O4 Gd1 Gd2 118.64(19) . . ?
O4 Gd1 Gd7 91.60(18) . . ?
O4 Gd1 O17 69.7(3) . . ?
O4 Gd1 O19 133.2(3) . . ?
O4 Gd1 O20 124.1(3) . . ?
O4 Gd1 O22 142.2(3) . . ?
O4 Gd1 N1 84.6(3) . . ?
O4 Gd1 N3 72.8(3) . . ?
O4 Gd1 N19 136.5(3) . . ?
O17 Gd1 Gd2 101.6(2) . . ?
O17 Gd1 Gd7 42.4(2) . . ?
O17 Gd1 O19 76.2(3) . . ?
O17 Gd1 O20 70.0(3) . . ?
O17 Gd1 O22 119.7(3) . . ?
O17 Gd1 N1 144.2(3) . . ?
O17 Gd1 N3 85.5(3) . . ?
O17 Gd1 N19 95.1(3) . . ?
O18 Gd1 Gd2 41.18(18) . . ?
O18 Gd1 Gd7 41.8(2) . . ?
O18 Gd1 O2 71.7(3) . . ?
O18 Gd1 O4 80.1(3) . . ?
O18 Gd1 O17 74.8(3) . . ?
O18 Gd1 O19 60.4(3) . . ?
O18 Gd1 O20 123.3(3) . . ?
O18 Gd1 O22 137.0(3) . . ?
O18 Gd1 N1 125.8(3) . . ?
O18 Gd1 N3 150.8(3) . . ?
O18 Gd1 N19 136.7(3) . . ?
O19 Gd1 Gd2 39.8(2) . . ?
O19 Gd1 Gd7 42.31(18) . . ?
O19 Gd1 O20 68.8(3) . . ?
O19 Gd1 O22 82.8(3) . . ?
O19 Gd1 N1 138.1(3) . . ?
O19 Gd1 N3 135.7(3) . . ?
O19 Gd1 N19 76.3(3) . . ?
O20 Gd1 Gd2 106.05(19) . . ?
O20 Gd1 Gd7 83.60(19) . . ?
O20 Gd1 N19 25.1(3) . . ?
O22 Gd1 Gd2 96.27(18) . . ?
O22 Gd1 Gd7 120.46(19) . . ?
O22 Gd1 O20 49.7(3) . . ?
O22 Gd1 N1 67.8(3) . . ?
O22 Gd1 N3 71.7(3) . . ?
O22 Gd1 N19 24.7(3) . . ?
N1 Gd1 Gd2 112.6(2) . . ?
N1 Gd1 Gd7 167.6(2) . . ?
N1 Gd1 O20 108.3(3) . . ?
N1 Gd1 N3 62.8(3) . . ?
N1 Gd1 N19 86.7(3) . . ?
N3 Gd1 Gd2 168.0(2) . . ?
N3 Gd1 Gd7 127.2(2) . . ?
N3 Gd1 O20 67.0(3) . . ?
N3 Gd1 N19 65.4(3) . . ?
N19 Gd1 Gd2 104.0(2) . . ?
N19 Gd1 Gd7 104.0(2) . . ?
Gd7 Gd2 Gd1 60.54(2) . . ?
O1 Gd2 Gd1 106.18(19) . . ?
O1 Gd2 Gd7 166.70(19) . . ?
O1 Gd2 O12 69.6(3) . . ?
O1 Gd2 O26 70.2(3) . . ?
O1 Gd2 N22 69.4(3) . . ?
O2 Gd2 Gd1 40.99(19) . . ?
O2 Gd2 Gd7 101.46(19) . . ?
O2 Gd2 O1 65.2(3) . . ?
O2 Gd2 O12 80.0(3) . . ?
O2 Gd2 O18 70.8(3) . . ?
O2 Gd2 O26 125.9(3) . . ?
O2 Gd2 O27 88.3(3) . . ?
O2 Gd2 N22 107.0(3) . . ?
O11 Gd2 Gd1 134.3(2) . . ?
O11 Gd2 Gd7 92.09(19) . . ?
O11 Gd2 O1 98.7(3) . . ?
O11 Gd2 O2 141.7(3) . . ?
O11 Gd2 O12 61.7(3) . . ?
O11 Gd2 O13 69.7(3) . . ?
O11 Gd2 O18 134.3(3) . . ?
O11 Gd2 O26 72.8(3) . . ?
O11 Gd2 O27 122.9(3) . . ?
O11 Gd2 N22 98.1(3) . . ?
O12 Gd2 Gd1 91.94(19) . . ?
O12 Gd2 Gd7 109.57(19) . . ?
O12 Gd2 N22 130.0(3) . . ?
O13 Gd2 Gd1 102.34(19) . . ?
O13 Gd2 Gd7 43.7(2) . . ?
O13 Gd2 O1 148.4(3) . . ?
O13 Gd2 O2 140.8(3) . . ?
O13 Gd2 O12 123.1(3) . . ?
O13 Gd2 O18 70.2(3) . . ?
O13 Gd2 O26 78.2(3) . . ?
O13 Gd2 O27 85.7(3) . . ?
O13 Gd2 N22 82.8(3) . . ?
O18 Gd2 Gd1 40.2(2) . . ?
O18 Gd2 Gd7 42.8(2) . . ?
O18 Gd2 O1 127.0(3) . . ?
O18 Gd2 O12 129.7(3) . . ?
O18 Gd2 O26 118.7(3) . . ?
O18 Gd2 O27 74.4(3) . . ?
O18 Gd2 N22 97.8(3) . . ?
O19 Gd2 Gd1 42.7(2) . . ?
O19 Gd2 Gd7 42.9(2) . . ?
O19 Gd2 O1 128.4(3) . . ?
O19 Gd2 O2 75.4(3) . . ?
O19 Gd2 O11 91.9(3) . . ?
O19 Gd2 O12 72.0(3) . . ?
O19 Gd2 O13 82.4(3) . . ?
O19 Gd2 O18 61.7(3) . . ?
O19 Gd2 O26 158.5(3) . . ?
O19 Gd2 O27 136.0(3) . . ?
O19 Gd2 N22 158.0(3) . . ?
O26 Gd2 Gd1 151.9(2) . . ?
O26 Gd2 Gd7 120.87(19) . . ?
O26 Gd2 O12 111.5(3) . . ?
O26 Gd2 N22 25.6(3) . . ?
O27 Gd2 Gd1 100.2(2) . . ?
O27 Gd2 Gd7 104.4(2) . . ?
O27 Gd2 O1 76.1(3) . . ?
O27 Gd2 O12 145.6(3) . . ?
O27 Gd2 O26 51.7(3) . . ?
O27 Gd2 N22 26.1(3) . . ?
N22 Gd2 Gd1 126.3(2) . . ?
N22 Gd2 Gd7 116.8(2) . . ?
Gd2 Gd3 Gd4 109.18(2) . . ?
Gd2 Gd3 Gd7 54.43(2) . . ?
Gd4 Gd3 Gd7 54.81(2) . . ?
O10 Gd3 Gd2 130.7(2) . . ?
O10 Gd3 Gd4 35.6(2) . . ?
O10 Gd3 Gd7 83.2(2) . . ?
O10 Gd3 N13 68.8(3) . . ?
O10 Gd3 N15 114.0(4) . . ?
O10 Gd3 N16 76.5(3) . . ?
O10 Gd3 N18 123.5(3) . . ?
O11 Gd3 Gd2 35.4(2) . . ?
O11 Gd3 Gd4 135.1(2) . . ?
O11 Gd3 Gd7 83.75(19) . . ?
O11 Gd3 O10 165.9(3) . . ?
O11 Gd3 N13 125.1(3) . . ?
O11 Gd3 N15 75.1(3) . . ?
O11 Gd3 N16 105.5(3) . . ?
O11 Gd3 N18 67.8(3) . . ?
O13 Gd3 Gd2 35.24(18) . . ?
O13 Gd3 Gd4 82.32(18) . . ?
O13 Gd3 Gd7 36.4(2) . . ?
O13 Gd3 O10 95.7(3) . . ?
O13 Gd3 O11 70.6(3) . . ?
O13 Gd3 O14 73.0(3) . . ?
O13 Gd3 N13 163.6(3) . . ?
O13 Gd3 N15 131.7(4) . . ?
O13 Gd3 N16 88.7(4) . . ?
O13 Gd3 N18 117.5(3) . . ?
O14 Gd3 Gd2 84.3(2) . . ?
O14 Gd3 Gd4 35.7(2) . . ?
O14 Gd3 Gd7 36.6(2) . . ?
O14 Gd3 O10 71.3(3) . . ?
O14 Gd3 O11 100.7(3) . . ?
O14 Gd3 N13 105.8(4) . . ?
O14 Gd3 N15 81.4(4) . . ?
O14 Gd3 N16 140.7(3) . . ?
O14 Gd3 N18 157.8(4) . . ?
N13 Gd3 Gd2 160.5(2) . . ?
N13 Gd3 Gd4 87.6(3) . . ?
N13 Gd3 Gd7 140.5(3) . . ?
N13 Gd3 N18 69.8(4) . . ?
N15 Gd3 Gd2 103.4(3) . . ?
N15 Gd3 Gd4 99.9(3) . . ?
N15 Gd3 Gd7 108.0(3) . . ?
N15 Gd3 N13 62.8(4) . . ?
N15 Gd3 N16 133.4(4) . . ?
N15 Gd3 N18 77.4(4) . . ?
N16 Gd3 Gd2 100.7(3) . . ?
N16 Gd3 Gd4 109.0(2) . . ?
N16 Gd3 Gd7 118.4(3) . . ?
N16 Gd3 N13 82.3(4) . . ?
N16 Gd3 N18 61.4(3) . . ?
N18 Gd3 Gd2 94.5(2) . . ?
N18 Gd3 Gd4 156.0(2) . . ?
N18 Gd3 Gd7 148.9(2) . . ?
Gd7 Gd4 Gd5 59.47(2) . . ?
O8 Gd4 Gd5 41.3(3) . . ?
O8 Gd4 Gd7 100.7(3) . . ?
O8 Gd4 O14 143.8(3) . . ?
O8 Gd4 O23 117.3(4) . . ?
O8 Gd4 O24 78.5(4) . . ?
O8 Gd4 O46 73.6(3) . . ?
O8 Gd4 N10 73.4(4) . . ?
O8 Gd4 N12 133.1(4) . . ?
O8 Gd4 N20 98.2(4) . . ?
O10 Gd4 Gd5 115.4(2) . . ?
O10 Gd4 Gd7 90.5(2) . . ?
O10 Gd4 O8 116.2(4) . . ?
O10 Gd4 O14 70.1(3) . . ?
O10 Gd4 O23 126.3(3) . . ?
O10 Gd4 O24 142.5(3) . . ?
O10 Gd4 O46 131.2(3) . . ?
O10 Gd4 N10 81.3(4) . . ?
O10 Gd4 N12 74.1(4) . . ?
O10 Gd4 N20 138.7(4) . . ?
O14 Gd4 Gd5 102.7(2) . . ?
O14 Gd4 Gd7 43.2(2) . . ?
O14 Gd4 O23 70.0(4) . . ?
O14 Gd4 O24 119.5(4) . . ?
O14 Gd4 O46 76.9(3) . . ?
O14 Gd4 N10 140.5(4) . . ?
O14 Gd4 N12 83.0(4) . . ?
O14 Gd4 N20 95.8(4) . . ?
O15 Gd4 Gd5 40.9(2) . . ?
O15 Gd4 Gd7 42.4(2) . . ?
O15 Gd4 O8 71.3(3) . . ?
O15 Gd4 O10 77.4(3) . . ?
O15 Gd4 O14 76.0(3) . . ?
O15 Gd4 O23 124.5(3) . . ?
O15 Gd4 O24 138.9(3) . . ?
O15 Gd4 O46 60.2(3) . . ?
O15 Gd4 N10 124.2(4) . . ?
O15 Gd4 N12 149.0(4) . . ?
O15 Gd4 N20 138.5(4) . . ?
O23 Gd4 Gd5 107.3(2) . . ?
O23 Gd4 Gd7 84.1(3) . . ?
O23 Gd4 N20 26.0(4) . . ?
O24 Gd4 Gd5 98.4(3) . . ?
O24 Gd4 Gd7 121.9(3) . . ?
O24 Gd4 O23 49.6(4) . . ?
O24 Gd4 N10 69.8(4) . . ?
O24 Gd4 N12 71.6(4) . . ?
O24 Gd4 N20 23.7(4) . . ?
O46 Gd4 Gd5 40.0(2) . . ?
O46 Gd4 Gd7 42.0(2) . . ?
O46 Gd4 O23 70.0(4) . . ?
O46 Gd4 O24 85.1(4) . . ?
O46 Gd4 N10 141.7(4) . . ?
O46 Gd4 N12 136.3(5) . . ?
O46 Gd4 N20 78.3(4) . . ?
N10 Gd4 Gd5 114.1(3) . . ?
N10 Gd4 Gd7 166.2(4) . . ?
N10 Gd4 O23 109.7(4) . . ?
N10 Gd4 N12 62.9(5) . . ?
N10 Gd4 N20 87.9(5) . . ?
N12 Gd4 Gd5 170.1(3) . . ?
N12 Gd4 Gd7 125.6(3) . . ?
N12 Gd4 O23 66.7(5) . . ?
N12 Gd4 N20 65.5(4) . . ?
N20 Gd4 Gd5 105.5(3) . . ?
N20 Gd4 Gd7 105.5(3) . . ?
Gd7 Gd5 Gd4 60.18(2) . . ?
O5 Gd5 Gd4 132.4(2) . . ?
O5 Gd5 Gd7 91.13(19) . . ?
O5 Gd5 O6 62.1(3) . . ?
O5 Gd5 O7 99.7(3) . . ?
O5 Gd5 O8 140.8(3) . . ?
O5 Gd5 O15 133.7(3) . . ?
O5 Gd5 O16 68.8(3) . . ?
O5 Gd5 O29 120.1(4) . . ?
O5 Gd5 O30 71.2(4) . . ?
O5 Gd5 N21 96.1(4) . . ?
O6 Gd5 Gd4 90.4(2) . . ?
O6 Gd5 Gd7 108.9(2) . . ?
O6 Gd5 N21 132.9(4) . . ?
O7 Gd5 Gd4 105.3(3) . . ?
O7 Gd5 Gd7 165.5(3) . . ?
O7 Gd5 O6 68.6(3) . . ?
O7 Gd5 O30 72.3(4) . . ?
O7 Gd5 N21 75.8(4) . . ?
O8 Gd5 Gd4 41.4(2) . . ?
O8 Gd5 Gd7 101.5(2) . . ?
O8 Gd5 O6 78.7(3) . . ?
O8 Gd5 O7 64.0(4) . . ?
O8 Gd5 O29 93.6(4) . . ?
O8 Gd5 O30 128.1(4) . . ?
O8 Gd5 N21 112.2(4) . . ?
O15 Gd5 Gd4 40.1(2) . . ?
O15 Gd5 Gd7 43.0(2) . . ?
O15 Gd5 O6 128.4(3) . . ?
O15 Gd5 O7 126.6(3) . . ?
O15 Gd5 O8 70.8(3) . . ?
O15 Gd5 O29 74.9(4) . . ?
O15 Gd5 O30 121.1(4) . . ?
O15 Gd5 N21 97.4(4) . . ?
O16 Gd5 Gd4 102.2(2) . . ?
O16 Gd5 Gd7 43.5(2) . . ?
O16 Gd5 O6 122.5(3) . . ?
O16 Gd5 O7 150.3(4) . . ?
O16 Gd5 O8 141.3(3) . . ?
O16 Gd5 O15 71.0(3) . . ?
O16 Gd5 O29 82.0(4) . . ?
O16 Gd5 O30 78.0(3) . . ?
O16 Gd5 N21 78.4(4) . . ?
O29 Gd5 Gd4 103.6(3) . . ?
O29 Gd5 Gd7 102.1(3) . . ?
O29 Gd5 O6 148.9(4) . . ?
O29 Gd5 O7 80.8(4) . . ?
O29 Gd5 O30 51.7(4) . . ?
O29 Gd5 N21 25.3(4) . . ?
O30 Gd5 Gd4 155.3(3) . . ?
O30 Gd5 Gd7 120.8(3) . . ?
O30 Gd5 O6 110.5(4) . . ?
O30 Gd5 N21 26.5(4) . . ?
O46 Gd5 Gd4 43.1(2) . . ?
O46 Gd5 Gd7 42.1(2) . . ?
O46 Gd5 O5 89.7(3) . . ?
O46 Gd5 O6 71.3(3) . . ?
O46 Gd5 O7 127.6(4) . . ?
O46 Gd5 O8 76.4(3) . . ?
O46 Gd5 O15 61.8(3) . . ?
O46 Gd5 O16 80.8(3) . . ?
O46 Gd5 O29 136.6(4) . . ?
O46 Gd5 O30 155.5(3) . . ?
O46 Gd5 N21 154.6(4) . . ?
N21 Gd5 Gd4 128.9(4) . . ?
N21 Gd5 Gd7 112.9(3) . . ?
Gd1 Gd6 Gd7 54.86(2) . . ?
Gd5 Gd6 Gd1 109.18(2) . . ?
Gd5 Gd6 Gd7 54.440(19) . . ?
O4 Gd6 Gd1 35.54(19) . . ?
O4 Gd6 Gd5 132.37(18) . . ?
O4 Gd6 Gd7 84.49(18) . . ?
O4 Gd6 N4 68.8(3) . . ?
O4 Gd6 N6 113.7(3) . . ?
O4 Gd6 N7 73.9(3) . . ?
O4 Gd6 N9 122.6(3) . . ?
O5 Gd6 Gd1 134.3(2) . . ?
O5 Gd6 Gd5 34.4(2) . . ?
O5 Gd6 Gd7 82.47(19) . . ?
O5 Gd6 O4 166.4(3) . . ?
O5 Gd6 O17 100.1(3) . . ?
O5 Gd6 N4 124.4(3) . . ?
O5 Gd6 N6 73.7(3) . . ?
O5 Gd6 N7 108.8(3) . . ?
O5 Gd6 N9 68.5(3) . . ?
O16 Gd6 Gd1 81.79(19) . . ?
O16 Gd6 Gd5 35.2(2) . . ?
O16 Gd6 Gd7 36.1(2) . . ?
O16 Gd6 O4 97.5(3) . . ?
O16 Gd6 O5 69.6(3) . . ?
O16 Gd6 O17 71.9(3) . . ?
O16 Gd6 N4 165.7(3) . . ?
O16 Gd6 N6 128.5(3) . . ?
O16 Gd6 N7 88.2(4) . . ?
O16 Gd6 N9 114.6(3) . . ?
O17 Gd6 Gd1 35.6(2) . . ?
O17 Gd6 Gd5 84.2(2) . . ?
O17 Gd6 Gd7 35.9(2) . . ?
O17 Gd6 O4 71.0(3) . . ?
O17 Gd6 N4 105.7(3) . . ?
O17 Gd6 N6 80.5(3) . . ?
O17 Gd6 N7 136.5(3) . . ?
O17 Gd6 N9 161.8(3) . . ?
N4 Gd6 Gd1 88.5(2) . . ?
N4 Gd6 Gd5 158.8(2) . . ?
N4 Gd6 Gd7 140.5(2) . . ?
N4 Gd6 N9 72.2(3) . . ?
N6 Gd6 Gd1 100.1(2) . . ?
N6 Gd6 Gd5 100.9(3) . . ?
N6 Gd6 Gd7 105.3(2) . . ?
N6 Gd6 N4 63.4(4) . . ?
N6 Gd6 N7 138.2(3) . . ?
N6 Gd6 N9 82.5(3) . . ?
N7 Gd6 Gd1 105.0(2) . . ?
N7 Gd6 Gd5 101.6(3) . . ?
N7 Gd6 Gd7 116.5(2) . . ?
N7 Gd6 N4 84.3(4) . . ?
N7 Gd6 N9 61.8(3) . . ?
N9 Gd6 Gd1 157.1(2) . . ?
N9 Gd6 Gd5 92.5(2) . . ?
N9 Gd6 Gd7 146.7(2) . . ?
Gd2 Gd7 Gd1 60.279(18) . . ?
Gd2 Gd7 Gd4 123.99(2) . . ?
Gd2 Gd7 Gd5 145.19(3) . . ?
Gd4 Gd7 Gd1 167.69(3) . . ?
Gd5 Gd7 Gd1 124.04(3) . . ?
Gd5 Gd7 Gd4 60.34(2) . . ?
O13 Gd7 Gd1 100.16(18) . . ?
O13 Gd7 Gd2 41.66(18) . . ?
O13 Gd7 Gd4 87.24(19) . . ?
O13 Gd7 Gd5 112.77(19) . . ?
O13 Gd7 O14 68.8(3) . . ?
O14 Gd7 Gd1 132.2(2) . . ?
O14 Gd7 Gd2 89.5(2) . . ?
O14 Gd7 Gd4 41.9(2) . . ?
O14 Gd7 Gd5 102.2(2) . . ?
O15 Gd7 Gd1 151.2(2) . . ?
O15 Gd7 Gd2 115.2(2) . . ?
O15 Gd7 Gd4 40.4(2) . . ?
O15 Gd7 Gd5 41.73(19) . . ?
O15 Gd7 O13 74.6(3) . . ?
O15 Gd7 O14 73.2(3) . . ?
O15 Gd7 O16 68.7(3) . . ?
O15 Gd7 O17 131.2(3) . . ?
O16 Gd7 Gd1 86.7(2) . . ?
O16 Gd7 Gd2 113.3(2) . . ?
O16 Gd7 Gd4 100.6(2) . . ?
O16 Gd7 Gd5 41.74(19) . . ?
O16 Gd7 O13 107.2(3) . . ?
O16 Gd7 O14 141.1(3) . . ?
O17 Gd7 Gd1 41.71(19) . . ?
O17 Gd7 Gd2 101.99(19) . . ?
O17 Gd7 Gd4 132.3(2) . . ?
O17 Gd7 Gd5 89.97(18) . . ?
O17 Gd7 O13 140.4(3) . . ?
O17 Gd7 O14 139.9(3) . . ?
O17 Gd7 O16 68.2(3) . . ?
O18 Gd7 Gd1 40.2(2) . . ?
O18 Gd7 Gd2 42.13(17) . . ?
O18 Gd7 Gd4 151.5(2) . . ?
O18 Gd7 Gd5 114.99(19) . . ?
O18 Gd7 O13 68.2(3) . . ?
O18 Gd7 O14 131.1(3) . . ?
O18 Gd7 O15 115.4(3) . . ?
O18 Gd7 O16 74.5(3) . . ?
O18 Gd7 O17 72.9(3) . . ?
O18 Gd7 O19 59.7(3) . . ?
O19 Gd7 Gd1 42.86(19) . . ?
O19 Gd7 Gd2 40.4(2) . . ?
O19 Gd7 Gd4 131.1(2) . . ?
O19 Gd7 Gd5 165.96(19) . . ?
O19 Gd7 O13 78.2(3) . . ?
O19 Gd7 O14 89.8(3) . . ?
O19 Gd7 O15 151.7(3) . . ?
O19 Gd7 O16 128.2(3) . . ?
O19 Gd7 O17 76.1(3) . . ?
O46 Gd7 Gd1 130.7(2) . . ?
O46 Gd7 Gd2 166.4(2) . . ?
O46 Gd7 Gd4 43.4(2) . . ?
O46 Gd7 Gd5 40.3(2) . . ?
O46 Gd7 O13 129.1(3) . . ?
O46 Gd7 O14 77.0(3) . . ?
O46 Gd7 O15 59.9(3) . . ?
O46 Gd7 O16 77.6(3) . . ?
O46 Gd7 O17 89.4(3) . . ?
O46 Gd7 O18 150.9(3) . . ?
O46 Gd7 O19 139.0(3) . . ?
C1 O1 Gd2 125.1(7) . . ?
C2 O1 Gd2 119.1(6) . . ?
C2 O1 C1 115.4(9) . . ?
Gd1 O2 Gd2 97.9(3) . . ?
C7 O2 Gd1 139.2(8) . . ?
C7 O2 Gd2 122.7(7) . . ?
C15 O3 C14 114.5(10) . . ?
Gd6 O4 Gd1 109.4(3) . . ?
C20 O4 Gd1 119.9(7) . . ?
C20 O4 Gd6 129.8(6) . . ?
Gd5 O5 Gd6 110.9(3) . . ?
C33 O5 Gd5 119.5(8) . . ?
C33 O5 Gd6 129.5(8) . . ?
C27 O6 Gd5 125.4(8) . . ?
C28 O6 Gd5 109.3(8) . . ?
C28 O6 C27 117.7(10) . . ?
C64 O7 Gd5 123.1(10) . . ?
C65 O7 Gd5 115.8(8) . . ?
C65 O7 C64 120.9(11) . . ?
Gd5 O8 Gd4 97.3(3) . . ?
C67 O8 Gd4 137.6(9) . . ?
C67 O8 Gd5 124.7(9) . . ?
C52 O9 C51 115.0(12) . . ?
Gd3 O10 Gd4 109.0(4) . . ?
C57 O10 Gd3 125.9(8) . . ?
C57 O10 Gd4 124.2(8) . . ?
Gd3 O11 Gd2 109.4(3) . . ?
C46 O11 Gd2 122.3(8) . . ?
C46 O11 Gd3 128.2(8) . . ?
C40 O12 Gd2 125.6(7) . . ?
C41 O12 Gd2 112.9(8) . . ?
C41 O12 C40 117.9(9) . . ?
Gd2 O13 Gd7 94.7(3) . . ?
Gd3 O13 Gd2 110.1(3) . . ?
Gd3 O13 Gd7 109.4(4) . . ?
Gd3 O14 Gd4 109.6(4) . . ?
Gd3 O14 Gd7 108.8(4) . . ?
Gd4 O14 Gd7 94.9(3) . . ?
Gd4 O15 Gd5 99.0(3) . . ?
Gd4 O15 Gd7 97.2(4) . . ?
Gd5 O15 Gd7 95.3(3) . . ?
Gd5 O16 Gd7 94.8(3) . . ?
Gd6 O16 Gd5 110.6(3) . . ?
Gd6 O16 Gd7 110.2(4) . . ?
Gd1 O17 Gd7 95.9(3) . . ?
Gd6 O17 Gd1 109.7(3) . . ?
Gd6 O17 Gd7 109.6(3) . . ?
Gd1 O18 Gd2 98.6(3) . . ?
Gd1 O18 Gd7 98.1(3) . . ?
Gd2 O18 Gd7 95.1(3) . . ?
Gd2 O19 Gd1 97.5(3) . . ?
Gd2 O19 Gd7 96.7(3) . . ?
Gd7 O19 Gd1 94.8(3) . . ?
N19 O20 Gd1 93.6(7) . . ?
N19 O22 Gd1 98.6(7) . . ?
N20 O23 Gd4 93.0(12) . . ?
N20 O24 Gd4 98.3(11) . . ?
N22 O26 Gd2 95.6(8) . . ?
N22 O27 Gd2 96.8(8) . . ?
N21 O29 Gd5 99.8(12) . . ?
N21 O30 Gd5 92.9(12) . . ?
Gd5 O46 Gd4 96.9(3) . . ?
Gd5 O46 Gd7 97.6(4) . . ?
Gd7 O46 Gd4 94.6(3) . . ?
N2 N1 Gd1 115.5(7) . . ?
C8 N1 Gd1 130.9(9) . . ?
C8 N1 N2 113.6(11) . . ?
C9 N2 N1 120.9(11) . . ?
C9 N3 Gd1 118.1(8) . . ?
C9 N3 C13 115.5(11) . . ?
C13 N3 Gd1 125.5(8) . . ?
N5 N4 Gd6 113.6(8) . . ?
C21 N4 Gd6 130.4(9) . . ?
C21 N4 N5 115.6(11) . . ?
C22 N5 N4 117.8(10) . . ?
C22 N6 Gd6 119.9(9) . . ?
C26 N6 Gd6 123.5(9) . . ?
C26 N6 C22 116.4(12) . . ?
C35 N7 Gd6 121.8(10) . . ?
C35 N7 C39 117.1(13) . . ?
C39 N7 Gd6 121.1(9) . . ?
N9 N8 C35 116.0(11) . . ?
N8 N9 Gd6 114.6(7) . . ?
C34 N9 Gd6 128.1(10) . . ?
C34 N9 N8 116.5(11) . . ?
N11 N10 Gd4 117.9(11) . . ?
C70 N10 Gd4 126.8(13) . . ?
C70 N10 N11 115.3(15) . . ?
C71 N11 N10 120.1(15) . . ?
C71 N12 Gd4 117.2(14) . . ?
C72 N12 Gd4 126.4(12) . . ?
C72 N12 C71 115.3(17) . . ?
N14 N13 Gd3 113.0(8) . . ?
C58 N13 Gd3 129.0(10) . . ?
C58 N13 N14 116.6(12) . . ?
C59 N14 N13 119.4(12) . . ?
C59 N15 Gd3 117.6(10) . . ?
C63 N15 Gd3 123.1(10) . . ?
C63 N15 C59 116.7(13) . . ?
C48 N16 Gd3 117.0(10) . . ?
C48 N16 C114 116.9(14) . . ?
C114 N16 Gd3 124.5(11) . . ?
C48 N17 N18 115.0(12) . . ?
N17 N18 Gd3 114.0(7) . . ?
C47 N18 Gd3 128.5(9) . . ?
C47 N18 N17 114.8(11) . . ?
O20 N19 Gd1 61.2(6) . . ?
O21 N19 Gd1 175.3(9) . . ?
O21 N19 O20 119.7(11) . . ?
O21 N19 O22 122.8(11) . . ?
O22 N19 Gd1 56.7(6) . . ?
O22 N19 O20 117.5(11) . . ?
O23 N20 Gd4 61.0(10) . . ?
O24 N20 Gd4 58.0(10) . . ?
O24 N20 O23 118.6(19) . . ?
O24 N20 O25 124.1(17) . . ?
O25 N20 Gd4 169.3(12) . . ?
O25 N20 O23 117.1(18) . . ?
O29 N21 Gd5 54.9(10) . . ?
O29 N21 O30 115.5(19) . . ?
O30 N21 Gd5 60.6(10) . . ?
O31 N21 Gd5 175.4(13) . . ?
O31 N21 O29 125(2) . . ?
O31 N21 O30 119.2(19) . . ?
O26 N22 Gd2 58.8(7) . . ?
O26 N22 O27 115.4(12) . . ?
O27 N22 Gd2 57.0(7) . . ?
O28 N22 Gd2 172.7(11) . . ?
O28 N22 O26 121.5(13) . . ?
O28 N22 O27 123.1(13) . . ?
O1 C2 C7 113.1(10) . . ?
C3 C2 O1 122.9(11) . . ?
C3 C2 C7 124.0(12) . . ?
C2 C3 C4 118.3(13) . . ?
C5 C4 C3 120.4(12) . . ?
C4 C5 C6 121.3(12) . . ?
C5 C6 C8 115.6(12) . . ?
C7 C6 C5 119.8(12) . . ?
C7 C6 C8 124.6(12) . . ?
O2 C7 C2 119.2(11) . . ?
O2 C7 C6 124.8(11) . . ?
C6 C7 C2 115.9(11) . . ?
N1 C8 C6 128.6(13) . . ?
N2 C9 C10 117.8(12) . . ?
N3 C9 N2 118.2(11) . . ?
N3 C9 C10 123.7(12) . . ?
C9 C10 C11 118.4(13) . . ?
C12 C11 C10 118.6(13) . . ?
C13 C12 C11 118.6(13) . . ?
C12 C13 N3 125.0(13) . . ?
C16 C15 O3 127.1(12) . . ?
C16 C15 C20 121.4(12) . . ?
C20 C15 O3 111.4(11) . . ?
C17 C16 C15 121.3(13) . . ?
C16 C17 C18 120.5(13) . . ?
C17 C18 C19 119.2(12) . . ?
C18 C19 C21 115.1(12) . . ?
C20 C19 C18 119.5(12) . . ?
C20 C19 C21 124.9(12) . . ?
O4 C20 C15 120.3(11) . . ?
O4 C20 C19 121.8(11) . . ?
C19 C20 C15 117.9(12) . . ?
N4 C21 C19 123.5(12) . . ?
N5 C22 N6 116.6(12) . . ?
N5 C22 C23 121.3(13) . . ?
N6 C22 C23 122.1(13) . . ?
C24 C23 C22 120.2(14) . . ?
C23 C24 C25 120.0(14) . . ?
C26 C25 C24 117.1(15) . . ?
N6 C26 C25 124.3(13) . . ?
O6 C28 C29 122.4(12) . . ?
O6 C28 C33 114.6(10) . . ?
C33 C28 C29 123.0(12) . . ?
C30 C29 C28 117.1(13) . . ?
C31 C30 C29 120.5(13) . . ?
C30 C31 C32 123.2(13) . . ?
C31 C32 C33 119.1(13) . . ?
C31 C32 C34 119.2(12) . . ?
C33 C32 C34 120.9(12) . . ?
O5 C33 C28 117.2(11) . . ?
O5 C33 C32 125.5(12) . . ?
C28 C33 C32 117.0(11) . . ?
N9 C34 C32 126.2(13) . . ?
N7 C35 N8 116.1(14) . . ?
N7 C35 C36 125.1(14) . . ?
N8 C35 C36 118.7(12) . . ?
C35 C36 C37 117.1(15) . . ?
C36 C37 C38 119.4(17) . . ?
C39 C38 C37 119.2(15) . . ?
N7 C39 C38 121.9(13) . . ?
O12 C41 C42 123.2(12) . . ?
O12 C41 C46 115.9(10) . . ?
C42 C41 C46 120.9(12) . . ?
C41 C42 C43 118.4(13) . . ?
C44 C43 C42 119.3(12) . . ?
C43 C44 C45 122.1(13) . . ?
C44 C45 C47 116.1(12) . . ?
C46 C45 C44 120.7(13) . . ?
C46 C45 C47 122.9(12) . . ?
O11 C46 C41 114.9(11) . . ?
O11 C46 C45 126.6(12) . . ?
C45 C46 C41 118.4(11) . . ?
N18 C47 C45 121.7(12) . . ?
N16 C48 N17 118.6(14) . . ?
N16 C48 C49 125.5(14) . . ?
N17 C48 C49 115.9(14) . . ?
C116 C49 C48 116.1(19) . . ?
O9 C52 C53 124.9(14) . . ?
O9 C52 C57 113.1(12) . . ?
C53 C52 C57 121.9(14) . . ?
C52 C53 C54 118.5(17) . . ?
C55 C54 C53 121.9(18) . . ?
C54 C55 C56 121.3(17) . . ?
C55 C56 C58 117.0(15) . . ?
C57 C56 C55 119.0(15) . . ?
C57 C56 C58 123.9(15) . . ?
O10 C57 C52 119.1(13) . . ?
O10 C57 C56 123.6(14) . . ?
C56 C57 C52 117.3(14) . . ?
N13 C58 C56 123.1(14) . . ?
N14 C59 N15 119.0(14) . . ?
N14 C59 C60 120.8(14) . . ?
N15 C59 C60 120.2(15) . . ?
C61 C60 C59 120.5(17) . . ?
C60 C61 C62 119.3(18) . . ?
C61 C62 C63 117.1(17) . . ?
N15 C63 C62 126.1(15) . . ?
N10 C70 C68 132.6(19) . . ?
N11 C71 N12 118.3(17) . . ?
N11 C71 C113 113.8(18) . . ?
N12 C71 C113 127(2) . . ?
N12 C72 C111 123.3(19) . . ?
C66 C74 C69 120.0 . . ?
C65 C66 C74 120.0 . . ?
C66 C65 O7 120.7(10) . . ?
C67 C65 O7 118.6(10) . . ?
C67 C65 C66 120.0 . . ?
O8 C67 C65 115.4(10) . . ?
O8 C67 C68 124.1(10) . . ?
C65 C67 C68 120.0 . . ?
C67 C68 C70 124.4(12) . . ?
C69 C68 C70 115.5(12) . . ?
C69 C68 C67 120.0 . . ?
C68 C69 C74 120.0 . . ?
C112 C111 C72 119(2) . . ?
C111 C112 C113 123(2) . . ?
C112 C113 C71 112(2) . . ?
C115 C114 N16 120.3(19) . . ?
C114 C115 C116 123(2) . . ?
C49 C116 C115 118(2) . . ?
O33 N23 O32 119.7(13) . . ?
O34 N23 O32 120.1(13) . . ?
O34 N23 O33 120.2(13) . . ?
O1A N1A O1B 123.2(15) . . ?
O1C N1A O1A 112(2) . . ?
O1C N1A O1B 124.3(15) . . ?
O1E N1B O1D 120.9(16) . . ?
O1F N1B O1D 119(2) . . ?
O1F N1B O1E 119.4(15) . . ?

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 O2 C7 C2 -177.6(8) . . . . ?
Gd1 O2 C7 C6 1(2) . . . . ?
Gd1 O4 C20 C15 -56.8(15) . . . . ?
Gd1 O4 C20 C19 122.9(10) . . . . ?
Gd1 O20 N19 O21 -174.7(10) . . . . ?
Gd1 O20 N19 O22 7.5(10) . . . . ?
Gd1 O22 N19 O20 -7.8(11) . . . . ?
Gd1 O22 N19 O21 174.4(10) . . . . ?
Gd1 N1 N2 C9 -19.6(14) . . . . ?
Gd1 N1 C8 C6 2(2) . . . . ?
Gd1 N3 C9 N2 13.9(15) . . . . ?
Gd1 N3 C9 C10 -173.1(9) . . . . ?
Gd1 N3 C13 C12 172.2(10) . . . . ?
Gd2 O1 C2 C3 173.1(11) . . . . ?
Gd2 O1 C2 C7 -3.5(14) . . . . ?
Gd2 O2 C7 C2 8.8(15) . . . . ?
Gd2 O2 C7 C6 -172.2(9) . . . . ?
Gd2 O11 C46 C41 -30.0(15) . . . . ?
Gd2 O11 C46 C45 145.8(12) . . . . ?
Gd2 O12 C41 C42 -156.4(12) . . . . ?
Gd2 O12 C41 C46 24.8(14) . . . . ?
Gd2 O26 N22 O27 6.8(11) . . . . ?
Gd2 O26 N22 O28 -171.5(13) . . . . ?
Gd2 O27 N22 O26 -7.0(11) . . . . ?
Gd2 O27 N22 O28 171.3(14) . . . . ?
Gd3 O10 C57 C52 133.5(12) . . . . ?
Gd3 O10 C57 C56 -48(2) . . . . ?
Gd3 O11 C46 C41 145.4(9) . . . . ?
Gd3 O11 C46 C45 -38.7(19) . . . . ?
Gd3 N13 N14 C59 -25.8(16) . . . . ?
Gd3 N13 C58 C56 15(2) . . . . ?
Gd3 N15 C59 N14 18.4(18) . . . . ?
Gd3 N15 C59 C60 -160.6(12) . . . . ?
Gd3 N15 C63 C62 162.3(12) . . . . ?
Gd3 N16 C48 N17 19.3(17) . . . . ?
Gd3 N16 C48 C49 -160.4(13) . . . . ?
Gd3 N16 C114 C115 159.1(17) . . . . ?
Gd3 N18 C47 C45 28.5(19) . . . . ?
Gd4 O8 C67 C65 -178.2(9) . . . . ?
Gd4 O8 C67 C68 10.2(18) . . . . ?
Gd4 O10 C57 C52 -58.0(18) . . . . ?
Gd4 O10 C57 C56 120.5(15) . . . . ?
Gd4 O23 N20 O24 6.7(16) . . . . ?
Gd4 O23 N20 O25 -168.1(13) . . . . ?
Gd4 O24 N20 O23 -6.9(16) . . . . ?
Gd4 O24 N20 O25 167.4(14) . . . . ?
Gd4 N10 N11 C71 -12(2) . . . . ?
Gd4 N10 C70 C68 7(3) . . . . ?
Gd4 N12 C71 N11 18(2) . . . . ?
Gd4 N12 C71 C113 -170.2(15) . . . . ?
Gd4 N12 C72 C111 168.0(13) . . . . ?
Gd5 O5 C33 C28 -34.3(15) . . . . ?
Gd5 O5 C33 C32 138.8(12) . . . . ?
Gd5 O6 C28 C29 -150.5(12) . . . . ?
Gd5 O6 C28 C33 29.6(14) . . . . ?
Gd5 O7 C65 C66 162.8(6) . . . . ?
Gd5 O7 C65 C67 -7.8(14) . . . . ?
Gd5 O8 C67 C65 11.3(13) . . . . ?
Gd5 O8 C67 C68 -160.3(7) . . . . ?
Gd5 O29 N21 O30 2.3(16) . . . . ?
Gd5 O29 N21 O31 -174.3(16) . . . . ?
Gd5 O30 N21 O29 -2.2(15) . . . . ?
Gd5 O30 N21 O31 174.7(15) . . . . ?
Gd6 O4 C20 C15 136.0(10) . . . . ?
Gd6 O4 C20 C19 -44.3(17) . . . . ?
Gd6 O5 C33 C28 147.8(10) . . . . ?
Gd6 O5 C33 C32 -39.1(19) . . . . ?
Gd6 N4 N5 C22 -32.6(13) . . . . ?
Gd6 N4 C21 C19 8.8(18) . . . . ?
Gd6 N6 C22 N5 6.7(14) . . . . ?
Gd6 N6 C22 C23 -173.9(8) . . . . ?
Gd6 N6 C26 C25 173.5(10) . . . . ?
Gd6 N7 C35 N8 1.5(17) . . . . ?
Gd6 N7 C35 C36 -175.5(12) . . . . ?
Gd6 N7 C39 C38 179.3(10) . . . . ?
Gd6 N9 C34 C32 20(2) . . . . ?
O1 C2 C3 C4 -178.6(12) . . . . ?
O1 C2 C7 O2 -3.1(17) . . . . ?
O1 C2 C7 C6 177.8(11) . . . . ?
O3 C15 C16 C17 178.7(13) . . . . ?
O3 C15 C20 O4 -3.2(18) . . . . ?
O3 C15 C20 C19 177.1(11) . . . . ?
O6 C28 C29 C30 176.5(13) . . . . ?
O6 C28 C33 O5 -1.6(19) . . . . ?
O6 C28 C33 C32 -175.2(12) . . . . ?
O7 C65 C67 O8 -1.3(14) . . . . ?
O7 C65 C67 C68 170.7(13) . . . . ?
O8 C67 C68 C70 -12.0(17) . . . . ?
O8 C67 C68 C69 171.3(13) . . . . ?
O9 C52 C53 C54 178.4(18) . . . . ?
O9 C52 C57 O10 0(2) . . . . ?
O9 C52 C57 C56 -178.5(14) . . . . ?
O12 C41 C42 C43 179.6(13) . . . . ?
O12 C41 C46 O11 -0.2(18) . . . . ?
O12 C41 C46 C45 -176.4(12) . . . . ?
N1 N2 C9 N3 4.0(18) . . . . ?
N1 N2 C9 C10 -169.4(10) . . . . ?
N2 N1 C8 C6 -179.6(13) . . . . ?
N2 C9 C10 C11 176.3(12) . . . . ?
N3 C9 C10 C11 3.3(19) . . . . ?
N4 N5 C22 N6 18.0(16) . . . . ?
N4 N5 C22 C23 -161.3(10) . . . . ?
N5 N4 C21 C19 -179.0(11) . . . . ?
N5 C22 C23 C24 -179.7(11) . . . . ?
N6 C22 C23 C24 1.0(18) . . . . ?
N7 C35 C36 C37 -5(2) . . . . ?
N8 N9 C34 C32 -170.5(14) . . . . ?
N8 C35 C36 C37 177.9(15) . . . . ?
N9 N8 C35 N7 23.5(17) . . . . ?
N9 N8 C35 C36 -159.3(13) . . . . ?
N10 N11 C71 N12 -4(3) . . . . ?
N10 N11 C71 C113 -177.2(16) . . . . ?
N10 C70 C68 C67 3(3) . . . . ?
N10 C70 C68 C69 179.9(18) . . . . ?
N11 N10 C70 C68 -176.0(18) . . . . ?
N11 C71 C113 C112 173.0(17) . . . . ?
N12 C71 C113 C112 1(3) . . . . ?
N12 C72 C111 C112 1(3) . . . . ?
N13 N14 C59 N15 6(2) . . . . ?
N13 N14 C59 C60 -175.4(14) . . . . ?
N14 N13 C58 C56 -179.4(15) . . . . ?
N14 C59 C60 C61 177.4(17) . . . . ?
N15 C59 C60 C61 -4(3) . . . . ?
N16 C48 C49 C116 -3(3) . . . . ?
N16 C114 C115 C116 4(4) . . . . ?
N17 N18 C47 C45 -171.4(13) . . . . ?
N17 C48 C49 C116 177.1(19) . . . . ?
N18 N17 C48 N16 12(2) . . . . ?
N18 N17 C48 C49 -168.6(14) . . . . ?
C1 O1 C2 C3 -14.0(19) . . . . ?
C1 O1 C2 C7 169.5(11) . . . . ?
C2 C3 C4 C5 5(2) . . . . ?
C3 C2 C7 O2 -179.6(13) . . . . ?
C3 C2 C7 C6 1(2) . . . . ?
C3 C4 C5 C6 -6(2) . . . . ?
C4 C5 C6 C7 5(2) . . . . ?
C4 C5 C6 C8 -176.1(13) . . . . ?
C5 C6 C7 O2 178.4(12) . . . . ?
C5 C6 C7 C2 -2.6(19) . . . . ?
C5 C6 C8 N1 -180.0(14) . . . . ?
C7 C2 C3 C4 -2(2) . . . . ?
C7 C6 C8 N1 -1(2) . . . . ?
C8 N1 N2 C9 161.4(12) . . . . ?
C8 C6 C7 O2 0(2) . . . . ?
C8 C6 C7 C2 179.0(13) . . . . ?
C9 N3 C13 C12 3.4(19) . . . . ?
C9 C10 C11 C12 -2.7(18) . . . . ?
C10 C11 C12 C13 2.6(19) . . . . ?
C11 C12 C13 N3 -3(2) . . . . ?
C13 N3 C9 N2 -176.5(11) . . . . ?
C13 N3 C9 C10 -3.5(18) . . . . ?
C14 O3 C15 C16 6(2) . . . . ?
C14 O3 C15 C20 -172.8(11) . . . . ?
C15 C16 C17 C18 4(2) . . . . ?
C16 C15 C20 O4 177.9(12) . . . . ?
C16 C15 C20 C19 -2(2) . . . . ?
C16 C17 C18 C19 -1(2) . . . . ?
C17 C18 C19 C20 -4(2) . . . . ?
C17 C18 C19 C21 -175.5(12) . . . . ?
C18 C19 C20 O4 -174.9(12) . . . . ?
C18 C19 C20 C15 4.7(19) . . . . ?
C18 C19 C21 N4 -168.4(12) . . . . ?
C20 C15 C16 C17 -3(2) . . . . ?
C20 C19 C21 N4 20(2) . . . . ?
C21 N4 N5 C22 153.9(12) . . . . ?
C21 C19 C20 O4 -4(2) . . . . ?
C21 C19 C20 C15 175.8(12) . . . . ?
C22 N6 C26 C25 -0.6(18) . . . . ?
C22 C23 C24 C25 -2.2(18) . . . . ?
C23 C24 C25 C26 1.9(19) . . . . ?
C24 C25 C26 N6 -1(2) . . . . ?
C26 N6 C22 N5 -179.0(10) . . . . ?
C26 N6 C22 C23 0.4(17) . . . . ?
C27 O6 C28 C29 1(2) . . . . ?
C27 O6 C28 C33 -179.2(12) . . . . ?
C28 C29 C30 C31 0(2) . . . . ?
C29 C28 C33 O5 178.5(13) . . . . ?
C29 C28 C33 C32 5(2) . . . . ?
C29 C30 C31 C32 2(3) . . . . ?
C30 C31 C32 C33 0(2) . . . . ?
C30 C31 C32 C34 -170.3(16) . . . . ?
C31 C32 C33 O5 -176.0(13) . . . . ?
C31 C32 C33 C28 -3(2) . . . . ?
C31 C32 C34 N9 -176.7(15) . . . . ?
C33 C28 C29 C30 -4(2) . . . . ?
C33 C32 C34 N9 13(2) . . . . ?
C34 C32 C33 O5 -6(2) . . . . ?
C34 C32 C33 C28 167.1(14) . . . . ?
C35 N7 C39 C38 0(2) . . . . ?
C35 N8 N9 Gd6 -36.1(14) . . . . ?
C35 N8 N9 C34 153.2(13) . . . . ?
C35 C36 C37 C38 3(3) . . . . ?
C36 C37 C38 C39 0(3) . . . . ?
C37 C38 C39 N7 -2(2) . . . . ?
C39 N7 C35 N8 -179.6(12) . . . . ?
C39 N7 C35 C36 3(2) . . . . ?
C40 O12 C41 C42 3(2) . . . . ?
C40 O12 C41 C46 -175.4(12) . . . . ?
C41 C42 C43 C44 -3(2) . . . . ?
C42 C41 C46 O11 -179.0(12) . . . . ?
C42 C41 C46 C45 5(2) . . . . ?
C42 C43 C44 C45 5(2) . . . . ?
C43 C44 C45 C46 -1(2) . . . . ?
C43 C44 C45 C47 -175.0(14) . . . . ?
C44 C45 C46 O11 -179.0(13) . . . . ?
C44 C45 C46 C41 -3(2) . . . . ?
C44 C45 C47 N18 -177.5(13) . . . . ?
C46 C41 C42 C43 -2(2) . . . . ?
C46 C45 C47 N18 9(2) . . . . ?
C47 C45 C46 O11 -6(2) . . . . ?
C47 C45 C46 C41 169.9(13) . . . . ?
C48 N16 C114 C115 -6(3) . . . . ?
C48 N17 N18 Gd3 -36.4(15) . . . . ?
C48 N17 N18 C47 160.6(13) . . . . ?
C48 C49 C116 C115 1(3) . . . . ?
C51 O9 C52 C53 7(2) . . . . ?
C51 O9 C52 C57 -176.9(14) . . . . ?
C52 C53 C54 C55 0(4) . . . . ?
C53 C52 C57 O10 176.6(15) . . . . ?
C53 C52 C57 C56 -2(3) . . . . ?
C53 C54 C55 C56 -2(4) . . . . ?
C54 C55 C56 C57 3(3) . . . . ?
C54 C55 C56 C58 -175(2) . . . . ?
C55 C56 C57 O10 -179.0(16) . . . . ?
C55 C56 C57 C52 0(3) . . . . ?
C55 C56 C58 N13 -165.2(17) . . . . ?
C57 C52 C53 C54 2(3) . . . . ?
C57 C56 C58 N13 17(3) . . . . ?
C58 N13 N14 C59 166.1(14) . . . . ?
C58 C56 C57 O10 -2(3) . . . . ?
C58 C56 C57 C52 177.0(16) . . . . ?
C59 N15 C63 C62 1(2) . . . . ?
C59 C60 C61 C62 2(3) . . . . ?
C60 C61 C62 C63 0(3) . . . . ?
C61 C62 C63 N15 -2(3) . . . . ?
C63 N15 C59 N14 -179.0(13) . . . . ?
C63 N15 C59 C60 2(2) . . . . ?
C64 O7 C65 C66 -21.5(18) . . . . ?
C64 O7 C65 C67 167.9(12) . . . . ?
C70 N10 N11 C71 171.0(17) . . . . ?
C70 C68 C69 C74 -177.0(15) . . . . ?
C71 N12 C72 C111 1(3) . . . . ?
C72 N12 C71 N11 -173.7(16) . . . . ?
C72 N12 C71 C113 -2(3) . . . . ?
C72 C111 C112 C113 -2(3) . . . . ?
C74 C66 C65 O7 -170.5(13) . . . . ?
C74 C66 C65 C67 0.0 . . . . ?
C66 C74 C69 C68 0.0 . . . . ?
C66 C65 C67 O8 -172.0(12) . . . . ?
C66 C65 C67 C68 0.0 . . . . ?
C65 C67 C68 C70 176.7(16) . . . . ?
C65 C67 C68 C69 0.0 . . . . ?
C67 C68 C69 C74 0.0 . . . . ?
C69 C74 C66 C65 0.0 . . . . ?
C111 C112 C113 C71 1(3) . . . . ?
C114 N16 C48 N17 -174.4(15) . . . . ?
C114 N16 C48 C49 6(2) . . . . ?
C114 C115 C116 C49 -1(4) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.105 -0.327 0.000 1179.7 375.8 ?

_olex2_submission_special_instructions 'No special instructions were received'
_database_code_depnum_ccdc_archive 'CCDC 1027758'
#######################################################################
#
#                 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.
# 
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#  data retrieval see:
#                         www.ccdc.cam.ac.uk
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data_Tb7
_vrf_PLAT019_Tb7                 
;
PROBLEM: _diffrn_measured_fraction_theta_full/_max < 1.0 0.976 Report
RESPONSE: Significant disorder in these structures leads to weak diffraction spots, and therefore prevents 100% completeness. 
;
_vrf_PLAT342_Tb7                 
;
PROBLEM: Low Bond Precision on C-C Bonds ............... 0.0202 Ang.
RESPONSE: Significant disorder results in many weak reflections, and as a consequence a low C-C bond precision.
;
_vrf_PLAT430_Tb7                 
;
PROBLEM: Short Inter D...A Contact O1A .. O18 .. 2.66 Ang.
RESPONSE: This nitrate counterion has large ADPs caused by heavy disorder. 
;
_audit_creation_date             2014-10-30
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.09.19 svn.r3010 for OlexSys, GUI svn.r4874)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C78 H72 N22 O32 Tb7, 3(N O3)'
_chemical_formula_sum            'C78 H72 N25 O41 Tb7'
_chemical_formula_weight         3128.04
_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'
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'

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

_cell_length_a                   15.215(5)
_cell_length_b                   16.425(5)
_cell_length_c                   24.769(5)
_cell_angle_alpha                104.849(5)
_cell_angle_beta                 94.612(5)
_cell_angle_gamma                95.967(5)
_cell_volume                     5914(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9820
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.349
_cell_measurement_theta_min      2.279
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.213
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5623
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2008/1 (Bruker,2008) was used for absorption correction. wR2(int) was 0.1022 before and 0.0546 after correction. The Ratio of minimum to maximum transmission is 0.7541. The λ/2 correction factor is 0.0015.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.757
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2996
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0506
_diffrn_reflns_av_unetI/netI     0.1001
_diffrn_reflns_Laue_measured_fraction_full 0.955
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            46813
_diffrn_reflns_point_group_measured_fraction_full 0.955
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        25.240
_diffrn_reflns_theta_max         25.026
_diffrn_reflns_theta_min         4.103
_diffrn_reflns_v_R_equivalents   ?
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.955
_diffrn_measured_fraction_theta_max 0.978
_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                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                14990
_reflns_number_total             20448
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         5.618
_refine_diff_density_min         -1.575
_refine_diff_density_rms         0.256
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.115
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1336
_refine_ls_number_reflns         20448
_refine_ls_number_restraints     2298
_refine_ls_R_factor_all          0.0934
_refine_ls_R_factor_gt           0.0703
_refine_ls_restrained_S_all      1.069
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0907P)²+54.2183P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1771
_refine_ls_wR_factor_ref         0.1882
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 O1A-N74 = N74-O65
 1.205 with sigma of 0.02
 O1A-N74 = N74-O66
 1.205 with sigma of 0.02
 O66-N74 = N74-O65
 1.205 with sigma of 0.02
 O1A-O65
 2.087 with sigma of 0.04
 O1A-O66
 2.087 with sigma of 0.04
 O66-O65
 2.087 with sigma of 0.04
 O1A-N74 \\sim N74-O65
 with sigma of 0.02
 O1C-N1A \\sim N1A-O1B
 with sigma of 0.02
 O1B-N1A \\sim N1A-O1D
 with sigma of 0.02
 O1D-N1A \\sim N1A-O1C
 with sigma of 0.02
 O1C-O1B \\sim O1B-O1D
 with sigma of 0.02
3. Restrained planarity
 O65, N74, O1A, O66
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
Uanis(N9) = Uanis(C35) = Uanis(N8)
Uanis(O1A) = Uanis(N74) = Uanis(O65)
Uanis(O66) = Uanis(N74) = Uanis(O1A) = Uanis(O65)
5. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6.a Aromatic/amide H refined with riding coordinates:
 N2(H2), N5(H5), N8(H8), N11(H11), N14(H14), N17(H17), C3(H3), C4(H4), C5(H5A),
  C8(H8A), C10(H10), C11(H11A), C12(H12), C13(H13), C16(H16), C17(H17A),
 C18(H18), C21(H21), C23(H23), C24(H24), C25(H25), C26(H26), C29(H29), C30(H30),
  C31(H31), C34(H34), C36(H36), C37(H37), C38(H38), C39(H39), C42(H42),
 C43(H43), C44(H44), C47(H47), C49(H49), C50(H50), C51(H51), C52(H52), C55(H55),
  C56(H56), C57(H57), C60(H60), C62(H62), C63(H63), C64(H64), C65(H65),
 C68(H68), C69(H69), C70(H70), C72(H72), C74(H74), C75(H75), C76(H76), C77(H77)
6.b Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C14(H14A,H14B,H14C), C27(H27A,H27B,H27C), C40(H40A,H40B,
 H40C), C53(H53A,H53B,H53C), C66(H66A,H66B,H66C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb1 Tb 0.19233(4) 0.01364(3) 0.33759(2) 0.02082(14) Uani 1 1 d . . . . .
Tb2 Tb 0.31275(4) 0.23968(4) 0.41459(2) 0.03158(17) Uani 1 1 d . . . . .
Tb3 Tb 0.30023(4) 0.38669(4) 0.32919(2) 0.02799(16) Uani 1 1 d . . . . .
Tb4 Tb 0.37531(4) 0.33367(4) 0.18151(2) 0.02542(15) Uani 1 1 d . . . . .
Tb5 Tb 0.38110(4) 0.09240(4) 0.12999(2) 0.02592(16) Uani 1 1 d . . . . .
Tb6 Tb 0.21057(4) -0.02861(4) 0.17887(2) 0.02772(16) Uani 1 1 d . . . . .
Tb7 Tb 0.30678(6) 0.17085(4) 0.26416(3) 0.0487(2) Uani 1 1 d . . . . .
O1 O 0.3058(6) -0.1501(5) 0.1771(4) 0.0375(19) Uani 1 1 d . . . . .
O2 O 0.2115(5) -0.0892(5) 0.2554(3) 0.0259(16) Uani 1 1 d . . . . .
O3 O 0.1815(5) 0.1399(5) 0.4068(3) 0.0248(16) Uani 1 1 d . . . . .
O4 O 0.1003(6) 0.2759(5) 0.4198(3) 0.0295(18) Uani 1 1 d . . . . .
O5 O 0.2922(6) 0.3863(5) 0.4238(3) 0.0339(18) Uani 1 1 d . . . . .
O6 O 0.2851(7) 0.5267(5) 0.3928(4) 0.039(2) Uani 1 1 d . . . . .
O7 O 0.4565(6) 0.4675(5) 0.3749(3) 0.0318(18) Uani 1 1 d . . . . .
O8 O 0.3974(5) 0.4316(5) 0.2707(3) 0.0258(16) Uani 1 1 d . . . . .
O9 O 0.3310(5) 0.2150(5) 0.1048(3) 0.0266(16) Uani 1 1 d . . . . .
O10 O 0.1780(6) 0.1185(5) 0.0560(3) 0.0312(19) Uani 1 1 d . . . . .
O11 O 0.2778(6) -0.0312(5) 0.0947(3) 0.0333(18) Uani 1 1 d . . . . .
O12 O 0.1544(7) -0.1536(6) 0.0982(4) 0.051(2) Uani 1 1 d . . . . .
O13 O 0.4165(6) 0.2149(5) 0.2075(3) 0.0283(17) Uani 1 1 d . . . . .
O14 O 0.2716(6) 0.2942(5) 0.2368(3) 0.0337(18) Uani 1 1 d . . . . .
O15 O 0.3874(6) 0.2828(5) 0.3393(3) 0.0338(18) Uani 1 1 d . . . . .
O16 O 0.2269(6) 0.2512(5) 0.3341(3) 0.0300(17) Uani 1 1 d . . . . .
O17 O 0.3218(5) 0.1091(5) 0.3447(3) 0.0276(17) Uani 1 1 d . . . . .
O18 O 0.1764(6) 0.0713(5) 0.2604(3) 0.0292(17) Uani 1 1 d . . . . .
O19 O 0.3526(6) 0.0398(5) 0.2121(3) 0.0275(16) Uani 1 1 d . . . . .
O20 O 0.2450(6) 0.1131(5) 0.1699(3) 0.0317(17) Uani 1 1 d . . . . .
O21 O 0.5280(6) 0.0733(6) 0.1808(4) 0.038(2) Uani 1 1 d . . . . .
O22 O 0.4768(6) -0.0220(6) 0.1044(3) 0.0368(19) Uani 1 1 d . . . . .
O23 O 0.6113(7) -0.0212(7) 0.1414(4) 0.058(3) Uani 1 1 d . . . . .
O24 O 0.1401(7) 0.3967(6) 0.3153(4) 0.046(2) Uani 1 1 d . . . . .
O25 O 0.2195(6) 0.4727(5) 0.2745(3) 0.0367(19) Uani 1 1 d . . . . .
O26 O 0.0790(8) 0.4742(9) 0.2678(6) 0.080(4) Uani 1 1 d . . . . .
O27 O 0.4427(6) 0.3192(6) 0.4814(3) 0.0382(19) Uani 1 1 d . . . . .
O28 O 0.4744(7) 0.2096(6) 0.4216(4) 0.044(2) Uani 1 1 d . . . . .
O29 O 0.5735(7) 0.2786(7) 0.4913(4) 0.054(3) Uani 1 1 d . . . . .
O30 O 0.0694(7) 0.0062(8) 0.1400(4) 0.057(2) Uani 1 1 d . . . . .
O31 O 0.0549(7) -0.0859(7) 0.1893(4) 0.051(2) Uani 1 1 d . . . . .
O32 O -0.0617(9) -0.0559(12) 0.1456(7) 0.113(6) Uani 1 1 d . . . . .
O33 O 0.1600(13) 0.2372(10) 0.6512(8) 0.120(6) Uani 1 1 d . . . . .
O34 O 0.0887(11) 0.3195(11) 0.7008(7) 0.111(5) Uani 1 1 d . . . . .
O35 O 0.1822(8) 0.3670(8) 0.6568(5) 0.072(3) Uani 1 1 d . . . . .
C89 C 0.2342(9) -0.0774(8) 0.0455(5) 0.036(3) Uani 1 1 d . . . . .
N1 N 0.0893(7) -0.1240(6) 0.3240(4) 0.0258(19) Uani 1 1 d . . . . .
N2 N 0.0103(7) -0.1119(7) 0.3489(4) 0.033(2) Uani 1 1 d . . . . .
H2 H -0.0147 -0.1480 0.3657 0.040 Uiso 1 1 calc R . . . .
N3 N 0.0273(7) 0.0232(7) 0.3369(4) 0.032(2) Uani 1 1 d . . . . .
N4 N 0.1859(6) -0.0180(6) 0.4329(4) 0.0224(18) Uani 1 1 d . . . . .
N5 N 0.2209(7) -0.0898(7) 0.4364(4) 0.033(2) Uani 1 1 d . . . . .
H5 H 0.1993 -0.1209 0.4576 0.040 Uiso 1 1 calc R . . . .
N6 N 0.3055(7) -0.0743(6) 0.3665(4) 0.0251(19) Uani 1 1 d . . . . .
N8 N 0.2639(8) 0.2449(7) 0.5470(5) 0.0432(16) Uani 1 1 d . . . . .
H8 H 0.2328 0.2550 0.5759 0.052 Uiso 1 1 calc R . . . .
N9 N 0.3425(8) 0.1573(7) 0.4886(4) 0.0432(16) Uani 1 1 d . . . . .
N10 N 0.3796(7) 0.4871(6) 0.1744(4) 0.0270(19) Uani 1 1 d . . . . .
N11 N 0.3345(7) 0.4918(7) 0.1246(4) 0.036(2) Uani 1 1 d . . . . .
H11 H 0.3531 0.5276 0.1057 0.043 Uiso 1 1 calc R . . . .
N12 N 0.2436(7) 0.3731(7) 0.1316(5) 0.039(2) Uani 1 1 d . . . . .
N13 N 0.4554(7) 0.3503(6) 0.0982(4) 0.031(2) Uani 1 1 d . . . . .
N14 N 0.5306(8) 0.4073(7) 0.1120(5) 0.042(3) Uani 1 1 d . . . . .
H14 H 0.5488 0.4342 0.0876 0.050 Uiso 1 1 calc R . . . .
N15 N 0.5391(7) 0.3843(6) 0.2002(4) 0.033(2) Uani 1 1 d . . . . .
N16 N 0.3792(7) 0.0493(7) 0.0231(4) 0.033(2) Uani 1 1 d . . . . .
N17 N 0.4424(8) 0.0939(6) 0.0028(4) 0.035(2) Uani 1 1 d . . . . .
H17 H 0.4381 0.0881 -0.0337 0.041 Uiso 1 1 calc R . . . .
N18 N 0.5140(7) 0.1551(7) 0.0908(4) 0.035(2) Uani 1 1 d . . . . .
N19 N 0.1455(9) 0.4479(8) 0.2847(5) 0.044(2) Uani 1 1 d . . . . .
N20 N 0.0182(9) -0.0463(10) 0.1588(6) 0.057(3) Uani 1 1 d . . . . .
N21 N 0.5419(8) 0.0078(8) 0.1425(5) 0.042(3) Uani 1 1 d . . . . .
N22 N 0.4986(8) 0.2694(7) 0.4654(4) 0.036(2) Uani 1 1 d . . . . .
N24 N 0.1446(9) 0.3083(9) 0.6708(5) 0.051(3) Uani 1 1 d . . . . .
C1 C 0.3641(13) -0.1801(9) 0.1347(7) 0.061(5) Uani 1 1 d . . . . .
H1A H 0.3329 -0.2297 0.1061 0.091 Uiso 1 1 calc GR . . . .
H1B H 0.4174 -0.1959 0.1523 0.091 Uiso 1 1 calc GR . . . .
H1C H 0.3815 -0.1348 0.1169 0.091 Uiso 1 1 calc GR . . . .
C2 C 0.2739(9) -0.2064(7) 0.2060(5) 0.029(3) Uani 1 1 d . . . . .
C3 C 0.2907(10) -0.2904(8) 0.1953(6) 0.039(3) Uani 1 1 d . . . . .
H3 H 0.3293 -0.3120 0.1683 0.047 Uiso 1 1 calc R . . . .
C4 C 0.2492(11) -0.3425(9) 0.2253(6) 0.051(4) Uani 1 1 d . . . . .
H4 H 0.2594 -0.4001 0.2192 0.061 Uiso 1 1 calc R . . . .
C5 C 0.1933(10) -0.3083(8) 0.2639(6) 0.041(3) Uani 1 1 d . . . . .
H5A H 0.1635 -0.3438 0.2834 0.049 Uiso 1 1 calc R . . . .
C6 C 0.1795(9) -0.2241(7) 0.2750(5) 0.031(3) Uani 1 1 d . . . . .
C7 C 0.2222(8) -0.1701(7) 0.2480(5) 0.023(2) Uani 1 1 d . . . . .
C8 C 0.1065(8) -0.2011(7) 0.3086(5) 0.026(2) Uani 1 1 d . . . . .
H8A H 0.0710 -0.2441 0.3193 0.031 Uiso 1 1 calc R . . . .
C9 C -0.0248(9) -0.0404(8) 0.3454(5) 0.033(2) Uani 1 1 d . . . . .
C10 C -0.1142(10) -0.0353(11) 0.3551(6) 0.047(3) Uani 1 1 d . . . . .
H10 H -0.1496 -0.0798 0.3644 0.057 Uiso 1 1 calc R . . . .
C11 C -0.1481(11) 0.0390(12) 0.3504(8) 0.063(4) Uani 1 1 d . . . . .
H11A H -0.2093 0.0435 0.3534 0.075 Uiso 1 1 calc R . . . .
C12 C -0.0931(10) 0.1061(11) 0.3416(7) 0.054(4) Uani 1 1 d . . . . .
H12 H -0.1144 0.1578 0.3398 0.064 Uiso 1 1 calc R . . . .
C13 C -0.0080(9) 0.0937(9) 0.3355(5) 0.035(3) Uani 1 1 d . . . . .
H13 H 0.0304 0.1394 0.3298 0.042 Uiso 1 1 calc R . . . .
C14 C 0.0537(10) 0.3461(8) 0.4232(5) 0.039(3) Uani 1 1 d . . . . .
H14A H 0.0754 0.3783 0.3976 0.059 Uiso 1 1 calc GR . . . .
H14B H 0.0631 0.3826 0.4618 0.059 Uiso 1 1 calc GR . . . .
H14C H -0.0098 0.3263 0.4126 0.059 Uiso 1 1 calc GR . . . .
C15 C 0.0790(8) 0.2243(8) 0.4535(5) 0.026(2) Uani 1 1 d . . . . .
C16 C 0.0188(9) 0.2401(8) 0.4931(5) 0.032(3) Uani 1 1 d . . . . .
H16 H -0.0123 0.2883 0.4973 0.039 Uiso 1 1 calc R . . . .
C17 C 0.0045(9) 0.1842(8) 0.5268(5) 0.032(3) Uani 1 1 d . . . . .
H17A H -0.0344 0.1955 0.5552 0.038 Uiso 1 1 calc R . . . .
C18 C 0.0451(8) 0.1161(8) 0.5187(5) 0.030(3) Uani 1 1 d . . . . .
H18 H 0.0334 0.0790 0.5417 0.036 Uiso 1 1 calc R . . . .
C19 C 0.1052(7) 0.0937(7) 0.4780(4) 0.022(2) Uani 1 1 d . . . . .
C20 C 0.1240(8) 0.1520(7) 0.4455(5) 0.025(2) Uani 1 1 d . . . . .
C21 C 0.1428(7) 0.0194(7) 0.4730(5) 0.024(2) Uani 1 1 d . . . . .
H21 H 0.1361 -0.0073 0.5025 0.029 Uiso 1 1 calc R . . . .
C22 C 0.2895(8) -0.1124(7) 0.4068(5) 0.027(2) Uani 1 1 d . . . . .
C23 C 0.3439(9) -0.1697(8) 0.4195(5) 0.033(3) Uani 1 1 d . . . . .
H23 H 0.3327 -0.1950 0.4492 0.040 Uiso 1 1 calc R . . . .
C24 C 0.4118(9) -0.1890(8) 0.3896(5) 0.032(3) Uani 1 1 d . . . . .
H24 H 0.4486 -0.2283 0.3983 0.038 Uiso 1 1 calc R . . . .
C25 C 0.4297(9) -0.1525(8) 0.3461(6) 0.035(3) Uani 1 1 d . . . . .
H25 H 0.4775 -0.1666 0.3244 0.042 Uiso 1 1 calc R . . . .
C26 C 0.3754(8) -0.0956(7) 0.3359(5) 0.027(2) Uani 1 1 d . . . . .
H26 H 0.3863 -0.0696 0.3066 0.032 Uiso 1 1 calc R . . . .
C27 C 0.3010(9) 0.6089(8) 0.3806(5) 0.035(3) Uani 1 1 d . . . . .
H27A H 0.3208 0.6011 0.3431 0.052 Uiso 1 1 calc GR . . . .
H27B H 0.3470 0.6459 0.4087 0.052 Uiso 1 1 calc GR . . . .
H27C H 0.2458 0.6350 0.3818 0.052 Uiso 1 1 calc GR . . . .
C28 C 0.2609(10) 0.5317(8) 0.4466(6) 0.040(3) Uani 1 1 d . . . . .
C29 C 0.2347(10) 0.5984(9) 0.4816(6) 0.046(3) Uani 1 1 d . . . . .
H29 H 0.2293 0.6489 0.4702 0.056 Uiso 1 1 calc R . . . .
C30 C 0.2154(12) 0.5945(11) 0.5342(7) 0.061(4) Uani 1 1 d . . . . .
H30 H 0.1987 0.6429 0.5595 0.073 Uiso 1 1 calc R . . . .
C31 C 0.2199(10) 0.5223(10) 0.5504(6) 0.049(3) Uani 1 1 d . . . . .
H31 H 0.2050 0.5211 0.5867 0.058 Uiso 1 1 calc R . . . .
C32 C 0.2460(9) 0.4487(9) 0.5153(5) 0.038(3) Uani 1 1 d . . . . .
C33 C 0.2677(10) 0.4529(8) 0.4610(5) 0.038(3) Uani 1 1 d . . . . .
C34 C 0.2464(9) 0.3774(9) 0.5370(5) 0.039(3) Uani 1 1 d . . . . .
H34 H 0.2296 0.3847 0.5738 0.047 Uiso 1 1 calc R . . . .
C35 C 0.3054(10) 0.1769(9) 0.5373(6) 0.0432(16) Uani 1 1 d . . . . .
C36 C 0.3102(11) 0.1314(9) 0.5774(6) 0.051(3) Uani 1 1 d . . . . .
H36 H 0.2848 0.1492 0.6116 0.061 Uiso 1 1 calc R . . . .
C37 C 0.3515(12) 0.0621(10) 0.5665(7) 0.059(4) Uani 1 1 d . . . . .
H37 H 0.3542 0.0296 0.5931 0.071 Uiso 1 1 calc R . . . .
C38 C 0.3912(13) 0.0360(12) 0.5162(7) 0.067(4) Uani 1 1 d . . . . .
H38 H 0.4202 -0.0135 0.5079 0.080 Uiso 1 1 calc R . . . .
C39 C 0.3851(10) 0.0867(9) 0.4801(6) 0.044(3) Uani 1 1 d . . . . .
H39 H 0.4127 0.0714 0.4465 0.053 Uiso 1 1 calc R . . . .
C40 C 0.4898(11) 0.4865(9) 0.4335(5) 0.047(4) Uani 1 1 d . . . . .
H40A H 0.4713 0.5403 0.4539 0.071 Uiso 1 1 calc GR . . . .
H40B H 0.5549 0.4913 0.4373 0.071 Uiso 1 1 calc GR . . . .
H40C H 0.4659 0.4408 0.4492 0.071 Uiso 1 1 calc GR . . . .
C41 C 0.4884(8) 0.5250(7) 0.3469(5) 0.029(3) Uani 1 1 d . . . . .
C42 C 0.5488(8) 0.5975(7) 0.3712(5) 0.029(3) Uani 1 1 d . . . . .
H42 H 0.5736 0.6098 0.4093 0.035 Uiso 1 1 calc R . . . .
C43 C 0.5720(9) 0.6521(8) 0.3376(5) 0.035(3) Uani 1 1 d . . . . .
H43 H 0.6127 0.7023 0.3532 0.042 Uiso 1 1 calc R . . . .
C44 C 0.5361(8) 0.6332(7) 0.2824(5) 0.029(3) Uani 1 1 d . . . . .
H44 H 0.5517 0.6711 0.2605 0.035 Uiso 1 1 calc R . . . .
C45 C 0.4769(8) 0.5590(7) 0.2579(5) 0.025(2) Uani 1 1 d . . . . .
C46 C 0.4538(8) 0.5042(7) 0.2896(5) 0.024(2) Uani 1 1 d . . . . .
C47 C 0.4336(8) 0.5490(7) 0.2021(4) 0.023(2) Uani 1 1 d . . . . .
H47 H 0.4474 0.5936 0.1850 0.027 Uiso 1 1 calc R . . . .
C48 C 0.2578(10) 0.4352(9) 0.1075(6) 0.044(3) Uani 1 1 d . . . . .
C49 C 0.2005(14) 0.4478(14) 0.0648(10) 0.095(7) Uani 1 1 d . . . . .
H49 H 0.2139 0.4914 0.0467 0.114 Uiso 1 1 calc R . . . .
C50 C 0.1195(15) 0.3902(16) 0.0500(12) 0.112(9) Uani 1 1 d . . . . .
H50 H 0.0785 0.3932 0.0198 0.134 Uiso 1 1 calc R . . . .
C51 C 0.1002(14) 0.3298(13) 0.0793(10) 0.088(6) Uani 1 1 d . . . . .
H51 H 0.0443 0.2952 0.0730 0.106 Uiso 1 1 calc R . . . .
C52 C 0.1633(10) 0.3241(10) 0.1155(8) 0.056(4) Uani 1 1 d . . . . .
H52 H 0.1524 0.2799 0.1334 0.067 Uiso 1 1 calc R . . . .
C53 C 0.0915(9) 0.0728(9) 0.0316(6) 0.039(3) Uani 1 1 d . . . . .
H53A H 0.0985 0.0256 -0.0005 0.059 Uiso 1 1 calc GR . . . .
H53B H 0.0547 0.1114 0.0190 0.059 Uiso 1 1 calc GR . . . .
H53C H 0.0629 0.0506 0.0599 0.059 Uiso 1 1 calc GR . . . .
C54 C 0.2225(9) 0.1646(8) 0.0261(5) 0.037(3) Uani 1 1 d . . . . .
C55 C 0.1931(12) 0.1596(11) -0.0309(6) 0.058(4) Uani 1 1 d . . . . .
H55 H 0.1396 0.1246 -0.0486 0.070 Uiso 1 1 calc R . . . .
C56 C 0.2406(14) 0.2043(14) -0.0600(7) 0.086(7) Uani 1 1 d . . . . .
H56 H 0.2221 0.1983 -0.0985 0.103 Uiso 1 1 calc R . . . .
C57 C 0.3145(12) 0.2574(13) -0.0344(6) 0.067(5) Uani 1 1 d . . . . .
H57 H 0.3445 0.2915 -0.0547 0.081 Uiso 1 1 calc R . . . .
C58 C 0.3491(9) 0.2639(8) 0.0226(5) 0.034(3) Uani 1 1 d . . . . .
C59 C 0.3007(9) 0.2156(8) 0.0519(5) 0.030(2) Uani 1 1 d . . . . .
C60 C 0.4266(9) 0.3248(8) 0.0465(5) 0.034(3) Uani 1 1 d . . . . .
H60 H 0.4587 0.3478 0.0213 0.041 Uiso 1 1 calc R . . . .
C61 C 0.5775(9) 0.4226(9) 0.1631(6) 0.039(3) Uani 1 1 d . . . . .
C62 C 0.6611(9) 0.4738(9) 0.1764(7) 0.047(3) Uani 1 1 d . . . . .
H62 H 0.6869 0.4988 0.1498 0.057 Uiso 1 1 calc R . . . .
C63 C 0.7013(11) 0.4852(11) 0.2272(7) 0.058(4) Uani 1 1 d . . . . .
H63 H 0.7562 0.5215 0.2378 0.070 Uiso 1 1 calc R . . . .
C64 C 0.6669(10) 0.4460(10) 0.2669(7) 0.053(3) Uani 1 1 d . . . . .
H64 H 0.6980 0.4534 0.3030 0.063 Uiso 1 1 calc R . . . .
C65 C 0.5873(9) 0.3975(9) 0.2507(6) 0.040(3) Uani 1 1 d . . . . .
H65 H 0.5632 0.3705 0.2768 0.047 Uiso 1 1 calc R . . . .
C66 C 0.1033(12) -0.2334(10) 0.0983(6) 0.057(5) Uani 1 1 d . . . . .
H66A H 0.1177 -0.2462 0.1342 0.085 Uiso 1 1 calc GR . . . .
H66B H 0.1180 -0.2790 0.0676 0.085 Uiso 1 1 calc GR . . . .
H66C H 0.0397 -0.2287 0.0930 0.085 Uiso 1 1 calc GR . . . .
C67 C 0.1661(10) -0.1430(9) 0.0447(6) 0.045(3) Uani 1 1 d . . . . .
C68 C 0.1164(10) -0.1892(10) -0.0036(6) 0.049(4) Uani 1 1 d . . . . .
H68 H 0.0705 -0.2324 -0.0024 0.059 Uiso 1 1 calc R . . . .
C69 C 0.1323(10) -0.1738(11) -0.0549(6) 0.049(3) Uani 1 1 d . . . . .
H69 H 0.0979 -0.2068 -0.0886 0.059 Uiso 1 1 calc R . . . .
C70 C 0.1975(10) -0.1110(11) -0.0566(6) 0.054(4) Uani 1 1 d . . . . .
H70 H 0.2072 -0.1006 -0.0918 0.064 Uiso 1 1 calc R . . . .
C71 C 0.2508(9) -0.0613(9) -0.0077(5) 0.038(3) Uani 1 1 d . . . . .
C72 C 0.3225(9) -0.0043(8) -0.0149(5) 0.033(3) Uani 1 1 d . . . . .
H72 H 0.3304 -0.0053 -0.0528 0.040 Uiso 1 1 calc R . . . .
C73 C 0.5112(10) 0.1466(9) 0.0350(6) 0.042(3) Uani 1 1 d . . . . .
C74 C 0.5750(11) 0.1905(10) 0.0116(7) 0.056(4) Uani 1 1 d . . . . .
H74 H 0.5690 0.1851 -0.0276 0.067 Uiso 1 1 calc R . . . .
C75 C 0.6450(11) 0.2404(9) 0.0448(7) 0.053(3) Uani 1 1 d . . . . .
H75 H 0.6889 0.2699 0.0292 0.063 Uiso 1 1 calc R . . . .
C76 C 0.6520(10) 0.2482(8) 0.1016(6) 0.046(3) Uani 1 1 d . . . . .
H76 H 0.7010 0.2826 0.1258 0.055 Uiso 1 1 calc R . . . .
C77 C 0.5860(9) 0.2049(9) 0.1225(6) 0.040(3) Uani 1 1 d . . . . .
H77 H 0.5915 0.2104 0.1618 0.048 Uiso 1 1 calc R . . . .
O1A O 0.093(3) 0.196(2) 0.2382(18) 0.359(16) Uani 1 1 d D . . . .
O65 O -0.032(2) 0.188(2) 0.1927(18) 0.359(16) Uani 1 1 d D . . . .
N74 N 0.042(2) 0.220(2) 0.2095(13) 0.359(16) Uani 1 1 d D . . . .
O66 O 0.071(3) 0.282(2) 0.1953(17) 0.359(16) Uani 1 1 d D . . . .
N7 N 0.2669(8) 0.3029(7) 0.5129(4) 0.039(2) Uani 1 1 d . . . . .
O1B O 0.5013(10) 0.0747(11) 0.3127(6) 0.111(5) Uani 1 1 d . . . . .
O1C O 0.4998(8) -0.0535(7) 0.2468(4) 0.062(3) Uani 1 1 d . . . . .
O1D O 0.6190(11) 0.0005(13) 0.3012(7) 0.131(6) Uani 1 1 d . . . . .
N1A N 0.5381(10) 0.0089(10) 0.2884(6) 0.084(4) 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 Tb2 3.8952(12) . ?
Tb1 Tb6 3.8512(11) . ?
Tb1 Tb7 3.8717(11) . ?
Tb1 O2 2.350(7) . ?
Tb1 O3 2.358(7) . ?
Tb1 O17 2.352(8) . ?
Tb1 O18 2.347(8) . ?
Tb1 N1 2.544(9) . ?
Tb1 N3 2.532(11) . ?
Tb1 N4 2.551(9) . ?
Tb1 N6 2.531(10) . ?
Tb2 Tb3 3.6042(11) . ?
Tb2 Tb7 3.5963(11) . ?
Tb2 O3 2.410(8) . ?
Tb2 O5 2.415(8) . ?
Tb2 O15 2.474(8) . ?
Tb2 O16 2.355(9) . ?
Tb2 O17 2.411(8) . ?
Tb2 O27 2.486(9) . ?
Tb2 O28 2.560(10) . ?
Tb2 N9 2.580(12) . ?
Tb2 N22 2.940(12) . ?
Tb2 N7 2.574(10) . ?
Tb3 Tb7 3.5136(13) . ?
Tb3 O5 2.359(8) . ?
Tb3 O6 2.476(8) . ?
Tb3 O7 2.615(8) . ?
Tb3 O8 2.344(8) . ?
Tb3 O14 2.377(8) . ?
Tb3 O15 2.318(9) . ?
Tb3 O16 2.420(8) . ?
Tb3 O24 2.461(10) . ?
Tb3 O25 2.533(9) . ?
Tb3 N19 2.900(14) . ?
Tb4 Tb5 3.8522(14) . ?
Tb4 Tb7 3.8730(11) . ?
Tb4 O8 2.351(7) . ?
Tb4 O9 2.342(8) . ?
Tb4 O13 2.334(8) . ?
Tb4 O14 2.319(8) . ?
Tb4 N10 2.566(10) . ?
Tb4 N12 2.499(12) . ?
Tb4 N13 2.539(10) . ?
Tb4 N15 2.511(10) . ?
Tb5 Tb6 3.5797(11) . ?
Tb5 Tb7 3.5631(10) . ?
Tb5 O9 2.432(8) . ?
Tb5 O11 2.358(8) . ?
Tb5 O13 2.378(7) . ?
Tb5 O19 2.456(8) . ?
Tb5 O20 2.384(8) . ?
Tb5 O21 2.563(9) . ?
Tb5 O22 2.482(9) . ?
Tb5 N16 2.555(10) . ?
Tb5 N18 2.547(10) . ?
Tb6 Tb7 3.5068(12) . ?
Tb6 O1 2.580(9) . ?
Tb6 O2 2.354(8) . ?
Tb6 O11 2.387(8) . ?
Tb6 O12 2.489(9) . ?
Tb6 O18 2.386(8) . ?
Tb6 O19 2.312(8) . ?
Tb6 O20 2.403(8) . ?
Tb6 O30 2.465(11) . ?
Tb6 O31 2.515(10) . ?
Tb6 N20 2.900(14) . ?
Tb7 O13 2.434(8) . ?
Tb7 O14 2.392(9) . ?
Tb7 O15 2.399(9) . ?
Tb7 O16 2.391(8) . ?
Tb7 O17 2.465(8) . ?
Tb7 O18 2.416(8) . ?
Tb7 O19 2.412(8) . ?
Tb7 O20 2.359(8) . ?
O1 C1 1.452(15) . ?
O1 C2 1.381(14) . ?
O2 C7 1.323(13) . ?
O3 C20 1.340(13) . ?
O4 C14 1.403(15) . ?
O4 C15 1.367(14) . ?
O5 C33 1.345(14) . ?
O6 C27 1.459(14) . ?
O6 C28 1.397(15) . ?
O7 C40 1.441(14) . ?
O7 C41 1.381(14) . ?
O8 C46 1.346(13) . ?
O9 C59 1.357(14) . ?
O10 C53 1.447(15) . ?
O10 C54 1.358(15) . ?
O11 C89 1.340(14) . ?
O12 C66 1.454(16) . ?
O12 C67 1.403(16) . ?
O21 N21 1.289(14) . ?
O22 N21 1.275(14) . ?
O23 N21 1.203(14) . ?
O24 N19 1.269(15) . ?
O25 N19 1.224(14) . ?
O26 N19 1.224(16) . ?
O27 N22 1.258(14) . ?
O28 N22 1.261(13) . ?
O29 N22 1.238(14) . ?
O30 N20 1.302(16) . ?
O31 N20 1.251(17) . ?
O32 N20 1.217(17) . ?
O33 N24 1.199(19) . ?
O34 N24 1.173(18) . ?
O35 N24 1.210(17) . ?
C89 C67 1.409(19) . ?
C89 C71 1.446(17) . ?
N1 N2 1.404(14) . ?
N1 C8 1.286(15) . ?
N2 C9 1.358(17) . ?
N3 C9 1.316(16) . ?
N3 C13 1.333(17) . ?
N4 N5 1.363(14) . ?
N4 C21 1.292(14) . ?
N5 C22 1.353(15) . ?
N6 C22 1.332(14) . ?
N6 C26 1.378(15) . ?
N8 C35 1.319(19) . ?
N8 N7 1.425(15) . ?
N9 C35 1.351(18) . ?
N9 C39 1.365(19) . ?
N10 N11 1.387(14) . ?
N10 C47 1.248(14) . ?
N11 C48 1.378(17) . ?
N12 C48 1.315(18) . ?
N12 C52 1.360(18) . ?
N13 N14 1.361(14) . ?
N13 C60 1.265(16) . ?
N14 C61 1.353(18) . ?
N15 C61 1.373(17) . ?
N15 C65 1.353(17) . ?
N16 N17 1.356(14) . ?
N16 C72 1.301(16) . ?
N17 C73 1.343(18) . ?
N18 C73 1.349(17) . ?
N18 C77 1.354(17) . ?
C2 C3 1.392(17) . ?
C2 C7 1.402(16) . ?
C3 C4 1.404(19) . ?
C4 C5 1.380(19) . ?
C5 C6 1.381(17) . ?
C6 C7 1.384(16) . ?
C6 C8 1.464(16) . ?
C9 C10 1.407(19) . ?
C10 C11 1.40(2) . ?
C11 C12 1.39(2) . ?
C12 C13 1.35(2) . ?
C15 C16 1.391(16) . ?
C15 C20 1.409(17) . ?
C16 C17 1.402(17) . ?
C17 C18 1.311(17) . ?
C18 C19 1.420(16) . ?
C19 C20 1.423(16) . ?
C19 C21 1.383(17) . ?
C22 C23 1.395(18) . ?
C23 C24 1.337(18) . ?
C24 C25 1.393(17) . ?
C25 C26 1.368(18) . ?
C28 C29 1.331(18) . ?
C28 C33 1.440(19) . ?
C29 C30 1.38(2) . ?
C30 C31 1.35(2) . ?
C31 C32 1.411(19) . ?
C32 C33 1.426(17) . ?
C32 C34 1.409(19) . ?
C34 N7 1.297(17) . ?
C35 C36 1.388(19) . ?
C36 C37 1.33(2) . ?
C37 C38 1.42(2) . ?
C38 C39 1.37(2) . ?
C41 C42 1.393(16) . ?
C41 C46 1.415(16) . ?
C42 C43 1.409(17) . ?
C43 C44 1.376(17) . ?
C44 C45 1.404(16) . ?
C45 C46 1.374(16) . ?
C45 C47 1.445(16) . ?
C48 C49 1.39(2) . ?
C49 C50 1.43(3) . ?
C50 C51 1.39(3) . ?
C51 C52 1.29(2) . ?
C54 C55 1.425(19) . ?
C54 C59 1.387(18) . ?
C55 C56 1.35(2) . ?
C56 C57 1.35(2) . ?
C57 C58 1.441(19) . ?
C58 C59 1.399(17) . ?
C58 C60 1.442(19) . ?
C61 C62 1.415(18) . ?
C62 C63 1.32(2) . ?
C63 C64 1.41(2) . ?
C64 C65 1.35(2) . ?
C67 C68 1.360(19) . ?
C68 C69 1.39(2) . ?
C69 C70 1.37(2) . ?
C70 C71 1.410(19) . ?
C71 C72 1.416(19) . ?
C73 C74 1.399(19) . ?
C74 C75 1.35(2) . ?
C75 C76 1.37(2) . ?
C76 C77 1.383(19) . ?
O1A N74 1.181(12) . ?
O65 N74 1.192(12) . ?
N74 O66 1.202(14) . ?
O1B N1A 1.301(14) . ?
O1C N1A 1.299(13) . ?
O1D N1A 1.276(14) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Tb6 Tb1 Tb2 109.161(19) . . ?
Tb6 Tb1 Tb7 54.010(18) . . ?
Tb7 Tb1 Tb2 55.16(2) . . ?
O2 Tb1 Tb2 134.30(19) . . ?
O2 Tb1 Tb6 35.08(19) . . ?
O2 Tb1 Tb7 83.89(19) . . ?
O2 Tb1 O3 166.0(3) . . ?
O2 Tb1 O17 99.6(3) . . ?
O2 Tb1 N1 67.7(3) . . ?
O2 Tb1 N3 107.1(3) . . ?
O2 Tb1 N4 123.2(3) . . ?
O2 Tb1 N6 73.9(3) . . ?
O3 Tb1 Tb2 35.67(19) . . ?
O3 Tb1 Tb6 131.29(19) . . ?
O3 Tb1 Tb7 82.54(18) . . ?
O3 Tb1 N1 123.6(3) . . ?
O3 Tb1 N3 75.0(3) . . ?
O3 Tb1 N4 70.4(3) . . ?
O3 Tb1 N6 113.9(3) . . ?
O17 Tb1 Tb2 35.64(19) . . ?
O17 Tb1 Tb6 83.07(19) . . ?
O17 Tb1 Tb7 37.5(2) . . ?
O17 Tb1 O3 71.3(3) . . ?
O17 Tb1 N1 161.1(3) . . ?
O17 Tb1 N3 136.1(3) . . ?
O17 Tb1 N4 107.1(3) . . ?
O17 Tb1 N6 81.2(3) . . ?
O18 Tb1 Tb2 83.62(19) . . ?
O18 Tb1 Tb6 35.88(19) . . ?
O18 Tb1 Tb7 36.2(2) . . ?
O18 Tb1 O2 70.7(3) . . ?
O18 Tb1 O3 96.2(3) . . ?
O18 Tb1 O17 73.7(3) . . ?
O18 Tb1 N1 112.6(3) . . ?
O18 Tb1 N3 82.9(3) . . ?
O18 Tb1 N4 164.9(3) . . ?
O18 Tb1 N6 131.8(3) . . ?
N1 Tb1 Tb2 157.5(2) . . ?
N1 Tb1 Tb6 92.4(2) . . ?
N1 Tb1 Tb7 145.7(2) . . ?
N1 Tb1 N4 71.6(3) . . ?
N3 Tb1 Tb2 106.4(2) . . ?
N3 Tb1 Tb6 99.2(2) . . ?
N3 Tb1 Tb7 111.4(2) . . ?
N3 Tb1 N1 62.7(3) . . ?
N3 Tb1 N4 86.7(3) . . ?
N4 Tb1 Tb2 88.8(2) . . ?
N4 Tb1 Tb6 158.3(2) . . ?
N4 Tb1 Tb7 142.5(2) . . ?
N6 Tb1 Tb2 99.2(2) . . ?
N6 Tb1 Tb6 101.6(2) . . ?
N6 Tb1 Tb7 109.2(2) . . ?
N6 Tb1 N1 81.8(3) . . ?
N6 Tb1 N3 139.3(3) . . ?
N6 Tb1 N4 62.4(3) . . ?
Tb7 Tb2 Tb3 58.41(2) . . ?
O3 Tb2 Tb3 116.04(19) . . ?
O3 Tb2 Tb7 88.13(17) . . ?
O3 Tb2 O5 117.3(3) . . ?
O3 Tb2 O15 129.1(3) . . ?
O3 Tb2 O17 69.4(3) . . ?
O3 Tb2 O27 142.4(3) . . ?
O3 Tb2 O28 126.9(3) . . ?
O3 Tb2 N9 73.6(3) . . ?
O3 Tb2 N22 138.5(3) . . ?
O3 Tb2 N7 82.9(3) . . ?
O5 Tb2 Tb3 40.39(19) . . ?
O5 Tb2 Tb7 98.52(19) . . ?
O5 Tb2 O15 73.4(3) . . ?
O5 Tb2 O27 76.9(3) . . ?
O5 Tb2 O28 115.6(3) . . ?
O5 Tb2 N9 131.8(3) . . ?
O5 Tb2 N22 97.6(3) . . ?
O5 Tb2 N7 71.3(3) . . ?
O15 Tb2 Tb3 39.6(2) . . ?
O15 Tb2 Tb7 41.6(2) . . ?
O15 Tb2 O27 87.6(3) . . ?
O15 Tb2 O28 70.8(3) . . ?
O15 Tb2 N9 138.9(4) . . ?
O15 Tb2 N22 80.1(3) . . ?
O15 Tb2 N7 140.9(3) . . ?
O16 Tb2 Tb3 41.67(18) . . ?
O16 Tb2 Tb7 41.10(19) . . ?
O16 Tb2 O3 76.4(3) . . ?
O16 Tb2 O5 70.1(3) . . ?
O16 Tb2 O15 60.3(3) . . ?
O16 Tb2 O17 75.7(3) . . ?
O16 Tb2 O27 139.0(3) . . ?
O16 Tb2 O28 126.9(3) . . ?
O16 Tb2 N9 149.0(3) . . ?
O16 Tb2 N22 140.3(3) . . ?
O16 Tb2 N7 120.1(3) . . ?
O17 Tb2 Tb3 101.40(19) . . ?
O17 Tb2 Tb7 43.06(19) . . ?
O17 Tb2 O5 141.6(3) . . ?
O17 Tb2 O15 74.7(3) . . ?
O17 Tb2 O27 122.5(3) . . ?
O17 Tb2 O28 72.4(3) . . ?
O17 Tb2 N9 86.6(3) . . ?
O17 Tb2 N22 97.5(3) . . ?
O17 Tb2 N7 144.2(3) . . ?
O27 Tb2 Tb3 97.3(2) . . ?
O27 Tb2 Tb7 125.9(2) . . ?
O27 Tb2 O28 50.2(3) . . ?
O27 Tb2 N9 72.0(3) . . ?
O27 Tb2 N22 25.1(3) . . ?
O27 Tb2 N7 68.6(3) . . ?
O28 Tb2 Tb3 106.5(2) . . ?
O28 Tb2 Tb7 88.2(2) . . ?
O28 Tb2 N9 68.7(4) . . ?
O28 Tb2 N22 25.3(3) . . ?
O28 Tb2 N7 110.6(3) . . ?
N9 Tb2 Tb3 169.1(2) . . ?
N9 Tb2 Tb7 129.6(3) . . ?
N9 Tb2 N22 66.3(3) . . ?
N22 Tb2 Tb3 105.0(2) . . ?
N22 Tb2 Tb7 109.2(2) . . ?
N7 Tb2 Tb3 111.1(3) . . ?
N7 Tb2 Tb7 161.0(3) . . ?
N7 Tb2 N9 63.5(4) . . ?
N7 Tb2 N22 88.4(3) . . ?
Tb7 Tb3 Tb2 60.68(2) . . ?
O5 Tb3 Tb2 41.6(2) . . ?
O5 Tb3 Tb7 101.9(2) . . ?
O5 Tb3 O6 65.6(3) . . ?
O5 Tb3 O7 79.3(3) . . ?
O5 Tb3 O14 140.9(3) . . ?
O5 Tb3 O16 70.0(3) . . ?
O5 Tb3 O24 91.5(3) . . ?
O5 Tb3 O25 127.7(3) . . ?
O5 Tb3 N19 111.1(3) . . ?
O6 Tb3 Tb2 107.1(2) . . ?
O6 Tb3 Tb7 167.13(19) . . ?
O6 Tb3 O7 69.5(3) . . ?
O6 Tb3 O25 70.6(3) . . ?
O6 Tb3 N19 72.0(3) . . ?
O7 Tb3 Tb2 91.37(18) . . ?
O7 Tb3 Tb7 112.75(19) . . ?
O7 Tb3 N19 130.5(3) . . ?
O8 Tb3 Tb2 132.7(2) . . ?
O8 Tb3 Tb7 92.83(18) . . ?
O8 Tb3 O5 141.2(3) . . ?
O8 Tb3 O6 99.1(3) . . ?
O8 Tb3 O7 61.9(3) . . ?
O8 Tb3 O14 70.0(3) . . ?
O8 Tb3 O16 135.3(3) . . ?
O8 Tb3 O24 120.6(3) . . ?
O8 Tb3 O25 71.7(3) . . ?
O8 Tb3 N19 95.7(3) . . ?
O14 Tb3 Tb2 102.3(2) . . ?
O14 Tb3 Tb7 42.7(2) . . ?
O14 Tb3 O6 147.3(3) . . ?
O14 Tb3 O7 124.4(3) . . ?
O14 Tb3 O16 71.2(3) . . ?
O14 Tb3 O24 82.9(3) . . ?
O14 Tb3 O25 76.7(3) . . ?
O14 Tb3 N19 78.4(3) . . ?
O15 Tb3 Tb2 42.9(2) . . ?
O15 Tb3 Tb7 42.7(2) . . ?
O15 Tb3 O5 77.4(3) . . ?
O15 Tb3 O6 131.7(3) . . ?
O15 Tb3 O7 74.2(3) . . ?
O15 Tb3 O8 90.6(3) . . ?
O15 Tb3 O14 80.3(3) . . ?
O15 Tb3 O16 61.6(3) . . ?
O15 Tb3 O24 136.4(3) . . ?
O15 Tb3 O25 154.7(3) . . ?
O15 Tb3 N19 154.2(3) . . ?
O16 Tb3 Tb2 40.3(2) . . ?
O16 Tb3 Tb7 42.76(18) . . ?
O16 Tb3 O6 125.6(3) . . ?
O16 Tb3 O7 130.2(3) . . ?
O16 Tb3 O24 74.8(3) . . ?
O16 Tb3 O25 119.1(3) . . ?
O16 Tb3 N19 97.4(3) . . ?
O24 Tb3 Tb2 103.6(2) . . ?
O24 Tb3 Tb7 101.5(2) . . ?
O24 Tb3 O6 76.5(3) . . ?
O24 Tb3 O7 145.6(3) . . ?
O24 Tb3 O25 50.6(3) . . ?
O24 Tb3 N19 25.8(3) . . ?
O25 Tb3 Tb2 154.2(2) . . ?
O25 Tb3 Tb7 118.26(19) . . ?
O25 Tb3 O7 110.7(3) . . ?
O25 Tb3 N19 24.9(3) . . ?
N19 Tb3 Tb2 129.4(2) . . ?
N19 Tb3 Tb7 111.8(2) . . ?
Tb3 Tb4 Tb5 109.140(19) . . ?
Tb3 Tb4 Tb7 54.250(19) . . ?
Tb5 Tb4 Tb7 54.93(2) . . ?
O8 Tb4 Tb3 35.23(19) . . ?
O8 Tb4 Tb5 133.66(19) . . ?
O8 Tb4 Tb7 84.09(19) . . ?
O8 Tb4 N10 68.3(3) . . ?
O8 Tb4 N12 105.0(3) . . ?
O8 Tb4 N13 124.6(3) . . ?
O8 Tb4 N15 73.9(3) . . ?
O9 Tb4 Tb3 130.04(19) . . ?
O9 Tb4 Tb5 37.0(2) . . ?
O9 Tb4 Tb7 81.78(19) . . ?
O9 Tb4 O8 165.1(3) . . ?
O9 Tb4 N10 123.2(3) . . ?
O9 Tb4 N12 76.1(3) . . ?
O9 Tb4 N13 70.2(3) . . ?
O9 Tb4 N15 116.0(3) . . ?
O13 Tb4 Tb3 82.20(18) . . ?
O13 Tb4 Tb5 35.54(18) . . ?
O13 Tb4 Tb7 36.6(2) . . ?
O13 Tb4 O8 98.7(3) . . ?
O13 Tb4 O9 72.5(3) . . ?
O13 Tb4 N10 160.3(3) . . ?
O13 Tb4 N12 137.8(3) . . ?
O13 Tb4 N13 108.8(3) . . ?
O13 Tb4 N15 83.8(3) . . ?
O14 Tb4 Tb3 35.81(19) . . ?
O14 Tb4 Tb5 83.3(2) . . ?
O14 Tb4 Tb7 35.3(2) . . ?
O14 Tb4 O8 70.9(3) . . ?
O14 Tb4 O9 94.7(3) . . ?
O14 Tb4 O13 71.9(3) . . ?
O14 Tb4 N10 114.9(3) . . ?
O14 Tb4 N12 83.5(4) . . ?
O14 Tb4 N13 163.2(3) . . ?
O14 Tb4 N15 132.9(3) . . ?
N10 Tb4 Tb3 93.4(2) . . ?
N10 Tb4 Tb5 157.1(2) . . ?
N10 Tb4 Tb7 147.1(2) . . ?
N12 Tb4 Tb3 97.6(3) . . ?
N12 Tb4 Tb5 109.6(3) . . ?
N12 Tb4 Tb7 112.0(3) . . ?
N12 Tb4 N10 61.6(3) . . ?
N12 Tb4 N13 85.7(4) . . ?
N12 Tb4 N15 136.0(4) . . ?
N13 Tb4 Tb3 159.7(2) . . ?
N13 Tb4 Tb5 88.3(2) . . ?
N13 Tb4 Tb7 142.4(2) . . ?
N13 Tb4 N10 70.4(3) . . ?
N15 Tb4 Tb3 102.8(2) . . ?
N15 Tb4 Tb5 99.9(2) . . ?
N15 Tb4 Tb7 111.6(3) . . ?
N15 Tb4 N10 78.4(3) . . ?
N15 Tb4 N13 62.8(3) . . ?
Tb6 Tb5 Tb4 112.86(2) . . ?
Tb7 Tb5 Tb4 62.831(16) . . ?
Tb7 Tb5 Tb6 58.81(2) . . ?
O9 Tb5 Tb4 35.43(18) . . ?
O9 Tb5 Tb6 112.96(18) . . ?
O9 Tb5 Tb7 87.64(17) . . ?
O9 Tb5 O19 128.8(3) . . ?
O9 Tb5 O21 131.4(3) . . ?
O9 Tb5 O22 144.1(3) . . ?
O9 Tb5 N16 78.0(3) . . ?
O9 Tb5 N18 75.9(3) . . ?
O11 Tb5 Tb4 137.4(2) . . ?
O11 Tb5 Tb6 41.34(19) . . ?
O11 Tb5 Tb7 99.7(2) . . ?
O11 Tb5 O9 112.4(3) . . ?
O11 Tb5 O13 142.3(3) . . ?
O11 Tb5 O19 74.8(3) . . ?
O11 Tb5 O20 70.4(3) . . ?
O11 Tb5 O21 116.0(3) . . ?
O11 Tb5 O22 76.6(3) . . ?
O11 Tb5 N16 72.6(3) . . ?
O11 Tb5 N18 132.8(3) . . ?
O13 Tb5 Tb4 34.8(2) . . ?
O13 Tb5 Tb6 101.63(19) . . ?
O13 Tb5 Tb7 42.84(19) . . ?
O13 Tb5 O9 70.1(3) . . ?
O13 Tb5 O19 75.9(3) . . ?
O13 Tb5 O20 74.9(3) . . ?
O13 Tb5 O21 74.3(3) . . ?
O13 Tb5 O22 124.7(3) . . ?
O13 Tb5 N16 139.9(3) . . ?
O13 Tb5 N18 84.9(3) . . ?
O19 Tb5 Tb4 104.34(17) . . ?
O19 Tb5 Tb6 39.84(19) . . ?
O19 Tb5 Tb7 42.47(18) . . ?
O19 Tb5 O21 69.8(3) . . ?
O19 Tb5 O22 86.9(3) . . ?
O19 Tb5 N16 144.3(3) . . ?
O19 Tb5 N18 137.7(3) . . ?
O20 Tb5 Tb4 72.6(2) . . ?
O20 Tb5 Tb6 41.8(2) . . ?
O20 Tb5 Tb7 41.0(2) . . ?
O20 Tb5 O9 73.9(3) . . ?
O20 Tb5 O19 60.8(3) . . ?
O20 Tb5 O21 126.5(3) . . ?
O20 Tb5 O22 138.4(3) . . ?
O20 Tb5 N16 119.2(3) . . ?
O20 Tb5 N18 147.9(3) . . ?
O21 Tb5 Tb4 102.6(2) . . ?
O21 Tb5 Tb6 105.7(2) . . ?
O21 Tb5 Tb7 88.20(19) . . ?
O22 Tb5 Tb4 145.7(2) . . ?
O22 Tb5 Tb6 96.6(2) . . ?
O22 Tb5 Tb7 126.24(19) . . ?
O22 Tb5 O21 50.5(3) . . ?
O22 Tb5 N16 71.7(3) . . ?
O22 Tb5 N18 73.7(3) . . ?
N16 Tb5 Tb4 109.4(2) . . ?
N16 Tb5 Tb6 113.2(2) . . ?
N16 Tb5 Tb7 159.2(3) . . ?
N16 Tb5 O21 112.6(3) . . ?
N18 Tb5 Tb4 76.6(2) . . ?
N18 Tb5 Tb6 170.3(2) . . ?
N18 Tb5 Tb7 127.5(2) . . ?
N18 Tb5 O21 68.8(3) . . ?
N18 Tb5 N16 63.7(3) . . ?
Tb7 Tb6 Tb5 60.36(2) . . ?
O1 Tb6 Tb5 92.23(19) . . ?
O1 Tb6 Tb7 115.0(2) . . ?
O1 Tb6 N20 126.2(4) . . ?
O2 Tb6 Tb5 132.0(2) . . ?
O2 Tb6 Tb7 92.55(18) . . ?
O2 Tb6 O1 62.4(3) . . ?
O2 Tb6 O11 142.3(3) . . ?
O2 Tb6 O12 102.0(3) . . ?
O2 Tb6 O18 69.9(3) . . ?
O2 Tb6 O20 134.2(3) . . ?
O2 Tb6 O30 119.3(3) . . ?
O2 Tb6 O31 69.9(3) . . ?
O2 Tb6 N20 94.5(3) . . ?
O11 Tb6 Tb5 40.73(19) . . ?
O11 Tb6 Tb7 100.62(19) . . ?
O11 Tb6 O1 80.1(3) . . ?
O11 Tb6 O12 65.2(3) . . ?
O11 Tb6 O20 69.6(3) . . ?
O11 Tb6 O30 92.6(3) . . ?
O11 Tb6 O31 128.7(3) . . ?
O11 Tb6 N20 111.5(3) . . ?
O12 Tb6 Tb5 105.8(2) . . ?
O12 Tb6 Tb7 164.8(2) . . ?
O12 Tb6 O1 69.4(3) . . ?
O12 Tb6 O31 70.0(3) . . ?
O12 Tb6 N20 69.5(4) . . ?
O18 Tb6 Tb5 102.58(19) . . ?
O18 Tb6 Tb7 43.42(19) . . ?
O18 Tb6 O1 126.5(3) . . ?
O18 Tb6 O11 139.7(3) . . ?
O18 Tb6 O12 146.8(3) . . ?
O18 Tb6 O20 70.3(3) . . ?
O18 Tb6 O30 81.0(3) . . ?
O18 Tb6 O31 77.1(3) . . ?
O18 Tb6 N20 78.8(3) . . ?
O19 Tb6 Tb5 42.88(19) . . ?
O19 Tb6 Tb7 43.18(19) . . ?
O19 Tb6 O1 75.7(3) . . ?
O19 Tb6 O2 89.7(3) . . ?
O19 Tb6 O11 77.0(3) . . ?
O19 Tb6 O12 131.6(3) . . ?
O19 Tb6 O18 81.4(3) . . ?
O19 Tb6 O20 62.6(3) . . ?
O19 Tb6 O30 137.5(3) . . ?
O19 Tb6 O31 154.3(3) . . ?
O19 Tb6 N20 156.9(4) . . ?
O20 Tb6 Tb5 41.41(19) . . ?
O20 Tb6 Tb7 42.08(19) . . ?
O20 Tb6 O1 132.4(3) . . ?
O20 Tb6 O12 123.7(3) . . ?
O20 Tb6 O30 75.1(3) . . ?
O20 Tb6 O31 121.1(3) . . ?
O20 Tb6 N20 99.3(4) . . ?
O30 Tb6 Tb5 105.2(3) . . ?
O30 Tb6 Tb7 101.2(3) . . ?
O30 Tb6 O1 143.7(3) . . ?
O30 Tb6 O12 75.3(4) . . ?
O30 Tb6 O31 52.0(4) . . ?
O30 Tb6 N20 26.5(4) . . ?
O31 Tb6 Tb5 157.2(3) . . ?
O31 Tb6 Tb7 119.9(2) . . ?
O31 Tb6 O1 106.4(3) . . ?
O31 Tb6 N20 25.5(4) . . ?
N20 Tb6 Tb5 131.7(3) . . ?
N20 Tb6 Tb7 113.9(3) . . ?
Tb3 Tb7 Tb2 60.905(17) . . ?
Tb3 Tb7 Tb5 124.47(2) . . ?
Tb5 Tb7 Tb2 159.19(3) . . ?
Tb6 Tb7 Tb2 125.43(2) . . ?
Tb6 Tb7 Tb3 152.43(3) . . ?
Tb6 Tb7 Tb5 60.834(19) . . ?
O13 Tb7 Tb2 126.73(18) . . ?
O13 Tb7 Tb3 88.12(18) . . ?
O13 Tb7 Tb5 41.63(17) . . ?
O13 Tb7 Tb6 102.45(17) . . ?
O13 Tb7 O17 131.4(3) . . ?
O14 Tb7 Tb2 102.15(18) . . ?
O14 Tb7 Tb3 42.39(19) . . ?
O14 Tb7 Tb5 89.03(19) . . ?
O14 Tb7 Tb6 118.0(2) . . ?
O14 Tb7 O13 68.9(3) . . ?
O14 Tb7 O15 78.4(3) . . ?
O14 Tb7 O17 143.6(3) . . ?
O14 Tb7 O18 112.5(3) . . ?
O14 Tb7 O19 131.8(3) . . ?
O15 Tb7 Tb2 43.26(19) . . ?
O15 Tb7 Tb3 41.0(2) . . ?
O15 Tb7 Tb5 124.8(2) . . ?
O15 Tb7 Tb6 163.5(2) . . ?
O15 Tb7 O13 84.5(3) . . ?
O15 Tb7 O17 75.0(3) . . ?
O15 Tb7 O18 132.2(3) . . ?
O15 Tb7 O19 129.8(3) . . ?
O16 Tb7 Tb2 40.4(2) . . ?
O16 Tb7 Tb3 43.41(18) . . ?
O16 Tb7 Tb5 158.6(2) . . ?
O16 Tb7 Tb6 120.45(19) . . ?
O16 Tb7 O13 131.5(3) . . ?
O16 Tb7 O14 71.4(3) . . ?
O16 Tb7 O15 61.0(3) . . ?
O16 Tb7 O17 74.1(3) . . ?
O16 Tb7 O18 78.2(3) . . ?
O16 Tb7 O19 152.6(3) . . ?
O17 Tb7 Tb2 41.90(18) . . ?
O17 Tb7 Tb3 102.74(18) . . ?
O17 Tb7 Tb5 126.62(19) . . ?
O17 Tb7 Tb6 89.35(18) . . ?
O18 Tb7 Tb2 89.61(18) . . ?
O18 Tb7 Tb3 118.26(19) . . ?
O18 Tb7 Tb5 102.40(18) . . ?
O18 Tb7 Tb6 42.75(18) . . ?
O18 Tb7 O13 143.3(2) . . ?
O18 Tb7 O17 70.5(3) . . ?
O19 Tb7 Tb2 125.28(19) . . ?
O19 Tb7 Tb3 162.85(19) . . ?
O19 Tb7 Tb5 43.42(18) . . ?
O19 Tb7 Tb6 41.0(2) . . ?
O19 Tb7 O13 75.6(3) . . ?
O19 Tb7 O17 84.5(3) . . ?
O19 Tb7 O18 78.7(3) . . ?
O20 Tb7 Tb2 157.9(2) . . ?
O20 Tb7 Tb3 119.5(2) . . ?
O20 Tb7 Tb5 41.6(2) . . ?
O20 Tb7 Tb6 43.1(2) . . ?
O20 Tb7 O13 74.3(3) . . ?
O20 Tb7 O14 77.7(3) . . ?
O20 Tb7 O15 152.5(3) . . ?
O20 Tb7 O16 122.5(3) . . ?
O20 Tb7 O17 132.4(3) . . ?
O20 Tb7 O18 70.6(3) . . ?
O20 Tb7 O19 61.8(3) . . ?
C1 O1 Tb6 125.1(8) . . ?
C2 O1 Tb6 113.4(7) . . ?
C2 O1 C1 117.3(10) . . ?
Tb1 O2 Tb6 109.9(3) . . ?
C7 O2 Tb1 129.8(7) . . ?
C7 O2 Tb6 120.3(6) . . ?
Tb1 O3 Tb2 109.6(3) . . ?
C20 O3 Tb1 127.7(7) . . ?
C20 O3 Tb2 121.3(7) . . ?
C15 O4 C14 117.2(9) . . ?
Tb3 O5 Tb2 98.1(3) . . ?
C33 O5 Tb2 140.0(8) . . ?
C33 O5 Tb3 121.0(8) . . ?
C27 O6 Tb3 126.5(7) . . ?
C28 O6 Tb3 119.8(7) . . ?
C28 O6 C27 113.7(9) . . ?
C40 O7 Tb3 125.8(7) . . ?
C41 O7 Tb3 112.3(7) . . ?
C41 O7 C40 115.5(9) . . ?
Tb3 O8 Tb4 109.4(3) . . ?
C46 O8 Tb3 120.9(6) . . ?
C46 O8 Tb4 129.7(7) . . ?
Tb4 O9 Tb5 107.6(3) . . ?
C59 O9 Tb4 126.7(7) . . ?
C59 O9 Tb5 124.3(7) . . ?
C54 O10 C53 118.1(10) . . ?
Tb5 O11 Tb6 97.9(3) . . ?
C89 O11 Tb5 138.9(8) . . ?
C89 O11 Tb6 118.8(7) . . ?
C66 O12 Tb6 128.9(8) . . ?
C67 O12 Tb6 115.9(8) . . ?
C67 O12 C66 114.9(10) . . ?
Tb4 O13 Tb5 109.7(3) . . ?
Tb4 O13 Tb7 108.6(3) . . ?
Tb5 O13 Tb7 95.5(3) . . ?
Tb3 O14 Tb7 94.9(3) . . ?
Tb4 O14 Tb3 109.4(3) . . ?
Tb4 O14 Tb7 110.6(4) . . ?
Tb3 O15 Tb2 97.5(3) . . ?
Tb3 O15 Tb7 96.3(3) . . ?
Tb7 O15 Tb2 95.1(3) . . ?
Tb2 O16 Tb3 98.0(3) . . ?
Tb2 O16 Tb7 98.5(3) . . ?
Tb7 O16 Tb3 93.8(3) . . ?
Tb1 O17 Tb2 109.7(3) . . ?
Tb1 O17 Tb7 107.0(3) . . ?
Tb2 O17 Tb7 95.0(3) . . ?
Tb1 O18 Tb6 108.9(3) . . ?
Tb1 O18 Tb7 108.8(3) . . ?
Tb6 O18 Tb7 93.8(3) . . ?
Tb6 O19 Tb5 97.3(3) . . ?
Tb6 O19 Tb7 95.8(3) . . ?
Tb7 O19 Tb5 94.1(3) . . ?
Tb5 O20 Tb6 96.8(3) . . ?
Tb7 O20 Tb5 97.4(3) . . ?
Tb7 O20 Tb6 94.9(3) . . ?
N21 O21 Tb5 95.1(7) . . ?
N21 O22 Tb5 99.4(7) . . ?
N19 O24 Tb3 96.8(8) . . ?
N19 O25 Tb3 94.6(8) . . ?
N22 O27 Tb2 98.1(7) . . ?
N22 O28 Tb2 94.4(8) . . ?
N20 O30 Tb6 95.7(9) . . ?
N20 O31 Tb6 94.7(8) . . ?
O11 C89 C67 119.6(11) . . ?
O11 C89 C71 123.1(12) . . ?
C67 C89 C71 117.3(11) . . ?
N2 N1 Tb1 113.0(7) . . ?
C8 N1 Tb1 129.1(8) . . ?
C8 N1 N2 116.2(10) . . ?
C9 N2 N1 115.4(10) . . ?
C9 N3 Tb1 118.5(9) . . ?
C9 N3 C13 117.9(12) . . ?
C13 N3 Tb1 123.1(9) . . ?
N5 N4 Tb1 113.9(6) . . ?
C21 N4 Tb1 126.4(8) . . ?
C21 N4 N5 118.9(10) . . ?
C22 N5 N4 118.8(10) . . ?
C22 N6 Tb1 119.0(8) . . ?
C22 N6 C26 118.2(11) . . ?
C26 N6 Tb1 122.0(8) . . ?
C35 N8 N7 123.2(12) . . ?
C35 N9 Tb2 119.8(10) . . ?
C35 N9 C39 114.9(13) . . ?
C39 N9 Tb2 124.8(9) . . ?
N11 N10 Tb4 112.2(7) . . ?
C47 N10 Tb4 126.1(8) . . ?
C47 N10 N11 119.0(10) . . ?
C48 N11 N10 113.8(11) . . ?
C48 N12 Tb4 117.4(9) . . ?
C48 N12 C52 115.5(14) . . ?
C52 N12 Tb4 125.2(10) . . ?
N14 N13 Tb4 114.3(7) . . ?
C60 N13 Tb4 128.0(9) . . ?
C60 N13 N14 116.4(11) . . ?
C61 N14 N13 120.1(11) . . ?
C61 N15 Tb4 118.1(9) . . ?
C65 N15 Tb4 123.9(8) . . ?
C65 N15 C61 115.5(11) . . ?
N17 N16 Tb5 115.1(7) . . ?
C72 N16 Tb5 129.7(9) . . ?
C72 N16 N17 114.9(10) . . ?
C73 N17 N16 123.9(11) . . ?
C73 N18 Tb5 119.6(9) . . ?
C73 N18 C77 115.5(12) . . ?
C77 N18 Tb5 124.6(8) . . ?
O24 N19 Tb3 57.4(7) . . ?
O25 N19 Tb3 60.5(7) . . ?
O25 N19 O24 117.9(13) . . ?
O26 N19 Tb3 177.6(10) . . ?
O26 N19 O24 120.9(13) . . ?
O26 N19 O25 121.1(12) . . ?
O30 N20 Tb6 57.7(7) . . ?
O31 N20 Tb6 59.8(7) . . ?
O31 N20 O30 117.4(13) . . ?
O32 N20 Tb6 174.4(13) . . ?
O32 N20 O30 119.4(15) . . ?
O32 N20 O31 123.2(15) . . ?
O22 N21 O21 114.2(11) . . ?
O23 N21 O21 123.2(12) . . ?
O23 N21 O22 122.5(12) . . ?
O27 N22 Tb2 56.8(6) . . ?
O27 N22 O28 116.6(11) . . ?
O28 N22 Tb2 60.2(7) . . ?
O29 N22 Tb2 173.3(9) . . ?
O29 N22 O27 121.7(10) . . ?
O29 N22 O28 121.7(12) . . ?
O33 N24 O35 120.5(17) . . ?
O34 N24 O33 119.1(18) . . ?
O34 N24 O35 120.3(17) . . ?
O1 C2 C3 124.2(11) . . ?
O1 C2 C7 112.9(10) . . ?
C3 C2 C7 122.9(11) . . ?
C2 C3 C4 118.4(12) . . ?
C5 C4 C3 118.7(13) . . ?
C4 C5 C6 122.0(12) . . ?
C5 C6 C7 120.9(11) . . ?
C5 C6 C8 115.6(11) . . ?
C7 C6 C8 122.7(11) . . ?
O2 C7 C2 118.1(10) . . ?
O2 C7 C6 124.8(10) . . ?
C6 C7 C2 116.8(10) . . ?
N1 C8 C6 121.7(11) . . ?
N2 C9 C10 118.3(13) . . ?
N3 C9 N2 119.0(12) . . ?
N3 C9 C10 122.6(14) . . ?
C11 C10 C9 116.4(15) . . ?
C12 C11 C10 120.7(15) . . ?
C13 C12 C11 116.3(16) . . ?
N3 C13 C12 125.9(15) . . ?
O4 C15 C16 124.2(11) . . ?
O4 C15 C20 114.5(10) . . ?
C16 C15 C20 121.3(11) . . ?
C15 C16 C17 119.2(12) . . ?
C18 C17 C16 119.5(11) . . ?
C17 C18 C19 124.9(12) . . ?
C18 C19 C20 116.3(11) . . ?
C21 C19 C18 119.4(11) . . ?
C21 C19 C20 124.3(11) . . ?
O3 C20 C15 118.9(10) . . ?
O3 C20 C19 122.4(11) . . ?
C15 C20 C19 118.7(10) . . ?
N4 C21 C19 127.6(11) . . ?
N5 C22 C23 121.7(11) . . ?
N6 C22 N5 117.0(11) . . ?
N6 C22 C23 121.2(11) . . ?
C24 C23 C22 119.6(12) . . ?
C23 C24 C25 121.2(13) . . ?
C26 C25 C24 116.9(12) . . ?
C25 C26 N6 122.8(11) . . ?
O6 C28 C33 110.8(10) . . ?
C29 C28 O6 126.8(13) . . ?
C29 C28 C33 122.4(12) . . ?
C28 C29 C30 120.0(15) . . ?
C31 C30 C29 120.7(14) . . ?
C30 C31 C32 122.4(13) . . ?
C31 C32 C33 117.2(13) . . ?
C34 C32 C31 116.6(12) . . ?
C34 C32 C33 126.2(12) . . ?
O5 C33 C28 120.4(11) . . ?
O5 C33 C32 122.4(12) . . ?
C32 C33 C28 117.3(11) . . ?
N7 C34 C32 128.2(12) . . ?
N8 C35 N9 116.6(13) . . ?
N8 C35 C36 119.0(14) . . ?
N9 C35 C36 124.4(16) . . ?
C37 C36 C35 118.2(16) . . ?
C36 C37 C38 121.4(16) . . ?
C39 C38 C37 115.8(18) . . ?
N9 C39 C38 125.3(16) . . ?
O7 C41 C42 124.7(11) . . ?
O7 C41 C46 113.7(10) . . ?
C42 C41 C46 121.6(11) . . ?
C41 C42 C43 118.0(11) . . ?
C44 C43 C42 120.3(11) . . ?
C43 C44 C45 121.2(12) . . ?
C44 C45 C47 117.7(11) . . ?
C46 C45 C44 119.6(11) . . ?
C46 C45 C47 122.2(10) . . ?
O8 C46 C41 116.0(10) . . ?
O8 C46 C45 124.8(10) . . ?
C45 C46 C41 119.1(10) . . ?
N10 C47 C45 125.8(11) . . ?
N11 C48 C49 116.5(15) . . ?
N12 C48 N11 119.2(13) . . ?
N12 C48 C49 124.3(15) . . ?
C48 C49 C50 115(2) . . ?
C51 C50 C49 121(2) . . ?
C52 C51 C50 115(2) . . ?
C51 C52 N12 128.6(19) . . ?
O10 C54 C55 122.2(12) . . ?
O10 C54 C59 118.0(11) . . ?
C59 C54 C55 119.7(13) . . ?
C56 C55 C54 120.6(16) . . ?
C55 C56 C57 120.2(16) . . ?
C56 C57 C58 122.0(15) . . ?
C59 C58 C57 117.3(13) . . ?
C59 C58 C60 125.0(11) . . ?
C60 C58 C57 117.5(12) . . ?
O9 C59 C54 118.9(11) . . ?
O9 C59 C58 120.9(11) . . ?
C54 C59 C58 120.1(12) . . ?
N13 C60 C58 125.6(12) . . ?
N14 C61 N15 115.5(11) . . ?
N14 C61 C62 121.4(13) . . ?
N15 C61 C62 123.1(14) . . ?
C63 C62 C61 116.8(15) . . ?
C62 C63 C64 123.2(15) . . ?
C65 C64 C63 116.2(16) . . ?
C64 C65 N15 125.2(14) . . ?
O12 C67 C89 113.2(11) . . ?
C68 C67 O12 124.4(13) . . ?
C68 C67 C89 122.3(13) . . ?
C67 C68 C69 120.5(15) . . ?
C70 C69 C68 119.7(14) . . ?
C69 C70 C71 122.0(14) . . ?
C70 C71 C89 118.2(13) . . ?
C70 C71 C72 117.3(12) . . ?
C72 C71 C89 124.3(12) . . ?
N16 C72 C71 128.9(12) . . ?
N17 C73 N18 116.0(12) . . ?
N17 C73 C74 121.4(13) . . ?
N18 C73 C74 122.6(14) . . ?
C75 C74 C73 119.9(15) . . ?
C74 C75 C76 119.2(15) . . ?
C75 C76 C77 118.3(14) . . ?
N18 C77 C76 124.3(13) . . ?
O1A N74 O65 125(3) . . ?
O1A N74 O66 115(3) . . ?
O65 N74 O66 120(3) . . ?
N8 N7 Tb2 113.5(8) . . ?
C34 N7 Tb2 131.9(9) . . ?
C34 N7 N8 114.6(10) . . ?
O1C N1A O1B 125.0(13) . . ?
O1D N1A O1B 123.0(13) . . ?
O1D N1A O1C 111.8(15) . . ?

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 O2 C7 C2 -148.8(9) . . . . ?
Tb1 O2 C7 C6 37.5(17) . . . . ?
Tb1 O3 C20 C15 -133.0(9) . . . . ?
Tb1 O3 C20 C19 45.6(15) . . . . ?
Tb1 N1 N2 C9 37.8(12) . . . . ?
Tb1 N1 C8 C6 -25.0(16) . . . . ?
Tb1 N3 C9 N2 -6.0(15) . . . . ?
Tb1 N3 C9 C10 169.1(10) . . . . ?
Tb1 N3 C13 C12 -171.9(11) . . . . ?
Tb1 N4 N5 C22 32.2(13) . . . . ?
Tb1 N4 C21 C19 -13.3(16) . . . . ?
Tb1 N6 C22 N5 -11.1(14) . . . . ?
Tb1 N6 C22 C23 172.0(9) . . . . ?
Tb1 N6 C26 C25 -170.5(9) . . . . ?
Tb2 O3 C20 C15 62.4(12) . . . . ?
Tb2 O3 C20 C19 -119.0(10) . . . . ?
Tb2 O5 C33 C28 -177.1(10) . . . . ?
Tb2 O5 C33 C32 2(2) . . . . ?
Tb2 O27 N22 O28 8.0(11) . . . . ?
Tb2 O27 N22 O29 -172.2(10) . . . . ?
Tb2 O28 N22 O27 -7.7(11) . . . . ?
Tb2 O28 N22 O29 172.5(11) . . . . ?
Tb2 N9 C35 N8 -7.9(16) . . . . ?
Tb2 N9 C35 C36 173.6(10) . . . . ?
Tb2 N9 C39 C38 -171.0(11) . . . . ?
Tb3 O5 C33 C28 -11.1(18) . . . . ?
Tb3 O5 C33 C32 167.9(10) . . . . ?
Tb3 O6 C28 C29 -167.0(13) . . . . ?
Tb3 O6 C28 C33 13.0(16) . . . . ?
Tb3 O7 C41 C42 153.9(11) . . . . ?
Tb3 O7 C41 C46 -25.9(12) . . . . ?
Tb3 O8 C46 C41 34.3(13) . . . . ?
Tb3 O8 C46 C45 -143.6(10) . . . . ?
Tb3 O24 N19 O25 -1.0(12) . . . . ?
Tb3 O24 N19 O26 -178.0(13) . . . . ?
Tb3 O25 N19 O24 1.0(12) . . . . ?
Tb3 O25 N19 O26 178.0(13) . . . . ?
Tb4 O8 C46 C41 -146.6(9) . . . . ?
Tb4 O8 C46 C45 35.5(16) . . . . ?
Tb4 O9 C59 C54 -130.1(10) . . . . ?
Tb4 O9 C59 C58 52.7(15) . . . . ?
Tb4 N10 N11 C48 38.2(12) . . . . ?
Tb4 N10 C47 C45 -29.1(16) . . . . ?
Tb4 N12 C48 N11 -20.1(17) . . . . ?
Tb4 N12 C48 C49 159.2(16) . . . . ?
Tb4 N12 C52 C51 -162.4(17) . . . . ?
Tb4 N13 N14 C61 27.8(14) . . . . ?
Tb4 N13 C60 C58 -15.1(19) . . . . ?
Tb4 N15 C61 N14 -18.9(15) . . . . ?
Tb4 N15 C61 C62 162.0(11) . . . . ?
Tb4 N15 C65 C64 -160.2(11) . . . . ?
Tb5 O9 C59 C54 65.1(14) . . . . ?
Tb5 O9 C59 C58 -112.1(11) . . . . ?
Tb5 O11 C89 C67 -170.6(10) . . . . ?
Tb5 O11 C89 C71 7(2) . . . . ?
Tb5 O21 N21 O22 -8.7(11) . . . . ?
Tb5 O21 N21 O23 168.9(12) . . . . ?
Tb5 O22 N21 O21 9.0(11) . . . . ?
Tb5 O22 N21 O23 -168.5(11) . . . . ?
Tb5 N16 N17 C73 11.3(15) . . . . ?
Tb5 N16 C72 C71 -8(2) . . . . ?
Tb5 N18 C73 N17 -9.6(17) . . . . ?
Tb5 N18 C73 C74 169.5(12) . . . . ?
Tb5 N18 C77 C76 -170.7(10) . . . . ?
Tb6 O1 C2 C3 155.4(11) . . . . ?
Tb6 O1 C2 C7 -24.8(13) . . . . ?
Tb6 O2 C7 C2 30.9(14) . . . . ?
Tb6 O2 C7 C6 -142.8(10) . . . . ?
Tb6 O11 C89 C67 -20.1(17) . . . . ?
Tb6 O11 C89 C71 157.3(11) . . . . ?
Tb6 O12 C67 C89 21.7(17) . . . . ?
Tb6 O12 C67 C68 -156.9(13) . . . . ?
Tb6 O30 N20 O31 4.3(14) . . . . ?
Tb6 O30 N20 O32 -174.4(16) . . . . ?
Tb6 O31 N20 O30 -4.2(14) . . . . ?
Tb6 O31 N20 O32 174.4(17) . . . . ?
O1 C2 C3 C4 -175.8(13) . . . . ?
O1 C2 C7 O2 -1.0(16) . . . . ?
O1 C2 C7 C6 173.3(11) . . . . ?
O4 C15 C16 C17 -177.7(11) . . . . ?
O4 C15 C20 O3 -0.4(15) . . . . ?
O4 C15 C20 C19 -179.0(10) . . . . ?
O6 C28 C29 C30 -178.1(15) . . . . ?
O6 C28 C33 O5 -2(2) . . . . ?
O6 C28 C33 C32 179.3(12) . . . . ?
O7 C41 C42 C43 -177.2(12) . . . . ?
O7 C41 C46 O8 -1.4(16) . . . . ?
O7 C41 C46 C45 176.6(11) . . . . ?
O10 C54 C55 C56 -177.8(18) . . . . ?
O10 C54 C59 O9 2.4(18) . . . . ?
O10 C54 C59 C58 179.7(12) . . . . ?
O11 C89 C67 O12 -2(2) . . . . ?
O11 C89 C67 C68 176.6(14) . . . . ?
O11 C89 C71 C70 -176.6(14) . . . . ?
O11 C89 C71 C72 10(2) . . . . ?
O12 C67 C68 C69 179.4(15) . . . . ?
C89 C67 C68 C69 1(3) . . . . ?
C89 C71 C72 N16 -8(2) . . . . ?
N1 N2 C9 N3 -21.8(16) . . . . ?
N1 N2 C9 C10 162.9(11) . . . . ?
N2 N1 C8 C6 171.1(11) . . . . ?
N2 C9 C10 C11 -179.3(13) . . . . ?
N3 C9 C10 C11 6(2) . . . . ?
N4 N5 C22 N6 -14.7(16) . . . . ?
N4 N5 C22 C23 162.2(11) . . . . ?
N5 N4 C21 C19 177.7(11) . . . . ?
N5 C22 C23 C24 -178.8(12) . . . . ?
N6 C22 C23 C24 -2.1(19) . . . . ?
N8 C35 C36 C37 179.1(13) . . . . ?
N9 C35 C36 C37 -2(2) . . . . ?
N10 N11 C48 N12 -13.3(18) . . . . ?
N10 N11 C48 C49 167.3(16) . . . . ?
N11 N10 C47 C45 171.4(11) . . . . ?
N11 C48 C49 C50 -177.2(19) . . . . ?
N12 C48 C49 C50 3(3) . . . . ?
N13 N14 C61 N15 -6.6(18) . . . . ?
N13 N14 C61 C62 172.6(12) . . . . ?
N14 N13 C60 C58 179.0(12) . . . . ?
N14 C61 C62 C63 179.7(14) . . . . ?
N15 C61 C62 C63 -1(2) . . . . ?
N16 N17 C73 N18 -1(2) . . . . ?
N16 N17 C73 C74 179.4(13) . . . . ?
N17 N16 C72 C71 178.3(13) . . . . ?
N17 C73 C74 C75 -177.6(14) . . . . ?
N18 C73 C74 C75 3(2) . . . . ?
C1 O1 C2 C3 -3(2) . . . . ?
C1 O1 C2 C7 176.8(13) . . . . ?
C2 C3 C4 C5 0(2) . . . . ?
C3 C2 C7 O2 178.9(12) . . . . ?
C3 C2 C7 C6 -6.9(19) . . . . ?
C3 C4 C5 C6 -2(2) . . . . ?
C4 C5 C6 C7 -1(2) . . . . ?
C4 C5 C6 C8 169.0(14) . . . . ?
C5 C6 C7 O2 178.7(12) . . . . ?
C5 C6 C7 C2 4.9(19) . . . . ?
C5 C6 C8 N1 176.8(12) . . . . ?
C7 C2 C3 C4 4(2) . . . . ?
C7 C6 C8 N1 -13.9(19) . . . . ?
C8 N1 N2 C9 -155.8(11) . . . . ?
C8 C6 C7 O2 9.9(19) . . . . ?
C8 C6 C7 C2 -163.8(12) . . . . ?
C9 N3 C13 C12 -0.6(19) . . . . ?
C9 C10 C11 C12 -5(2) . . . . ?
C10 C11 C12 C13 3(2) . . . . ?
C11 C12 C13 N3 1(2) . . . . ?
C13 N3 C9 N2 -177.7(11) . . . . ?
C13 N3 C9 C10 -2.6(18) . . . . ?
C14 O4 C15 C16 -4.4(17) . . . . ?
C14 O4 C15 C20 176.1(10) . . . . ?
C15 C16 C17 C18 -2.9(19) . . . . ?
C16 C15 C20 O3 -179.9(11) . . . . ?
C16 C15 C20 C19 1.4(17) . . . . ?
C16 C17 C18 C19 1(2) . . . . ?
C17 C18 C19 C20 2.2(18) . . . . ?
C17 C18 C19 C21 -179.0(12) . . . . ?
C18 C19 C20 O3 178.1(10) . . . . ?
C18 C19 C20 C15 -3.3(15) . . . . ?
C18 C19 C21 N4 167.1(11) . . . . ?
C20 C15 C16 C17 1.7(18) . . . . ?
C20 C19 C21 N4 -14.2(18) . . . . ?
C21 N4 N5 C22 -157.5(11) . . . . ?
C21 C19 C20 O3 -0.6(17) . . . . ?
C21 C19 C20 C15 178.0(10) . . . . ?
C22 N6 C26 C25 -1.4(17) . . . . ?
C22 C23 C24 C25 0(2) . . . . ?
C23 C24 C25 C26 0.8(19) . . . . ?
C24 C25 C26 N6 -0.3(18) . . . . ?
C26 N6 C22 N5 179.5(10) . . . . ?
C26 N6 C22 C23 2.6(17) . . . . ?
C27 O6 C28 C29 14(2) . . . . ?
C27 O6 C28 C33 -165.8(12) . . . . ?
C28 C29 C30 C31 -2(3) . . . . ?
C29 C28 C33 O5 178.3(14) . . . . ?
C29 C28 C33 C32 -1(2) . . . . ?
C29 C30 C31 C32 1(3) . . . . ?
C30 C31 C32 C33 0(2) . . . . ?
C30 C31 C32 C34 -179.0(16) . . . . ?
C31 C32 C33 O5 -179.2(13) . . . . ?
C31 C32 C33 C28 0(2) . . . . ?
C31 C32 C34 N7 179.5(14) . . . . ?
C32 C34 N7 Tb2 -2(2) . . . . ?
C32 C34 N7 N8 177.8(13) . . . . ?
C33 C28 C29 C30 2(3) . . . . ?
C33 C32 C34 N7 1(3) . . . . ?
C34 C32 C33 O5 0(2) . . . . ?
C34 C32 C33 C28 178.6(14) . . . . ?
C35 N8 N7 Tb2 19.8(15) . . . . ?
C35 N8 N7 C34 -160.1(13) . . . . ?
C35 N9 C39 C38 1(2) . . . . ?
C35 C36 C37 C38 1(2) . . . . ?
C36 C37 C38 C39 1(2) . . . . ?
C37 C38 C39 N9 -2(2) . . . . ?
C39 N9 C35 N8 179.8(11) . . . . ?
C39 N9 C35 C36 1.3(19) . . . . ?
C40 O7 C41 C42 0.1(18) . . . . ?
C40 O7 C41 C46 -179.7(12) . . . . ?
C41 C42 C43 C44 -0.5(19) . . . . ?
C42 C41 C46 O8 178.7(11) . . . . ?
C42 C41 C46 C45 -3.3(19) . . . . ?
C42 C43 C44 C45 -1(2) . . . . ?
C43 C44 C45 C46 0.3(19) . . . . ?
C43 C44 C45 C47 172.4(12) . . . . ?
C44 C45 C46 O8 179.6(11) . . . . ?
C44 C45 C46 C41 1.8(18) . . . . ?
C44 C45 C47 N10 179.8(12) . . . . ?
C46 C41 C42 C43 2.6(19) . . . . ?
C46 C45 C47 N10 -8.4(19) . . . . ?
C47 N10 N11 C48 -159.5(11) . . . . ?
C47 C45 C46 O8 7.9(19) . . . . ?
C47 C45 C46 C41 -169.9(11) . . . . ?
C48 N12 C52 C51 1(3) . . . . ?
C48 C49 C50 C51 3(4) . . . . ?
C49 C50 C51 C52 -7(4) . . . . ?
C50 C51 C52 N12 5(3) . . . . ?
C52 N12 C48 N11 175.0(12) . . . . ?
C52 N12 C48 C49 -6(2) . . . . ?
C53 O10 C54 C55 -9.2(19) . . . . ?
C53 O10 C54 C59 173.1(11) . . . . ?
C54 C55 C56 C57 -3(3) . . . . ?
C55 C54 C59 O9 -175.4(13) . . . . ?
C55 C54 C59 C58 2(2) . . . . ?
C55 C56 C57 C58 5(3) . . . . ?
C56 C57 C58 C59 -3(3) . . . . ?
C56 C57 C58 C60 -177.9(19) . . . . ?
C57 C58 C59 O9 176.8(13) . . . . ?
C57 C58 C59 C54 0(2) . . . . ?
C57 C58 C60 N13 165.8(14) . . . . ?
C59 C54 C55 C56 0(3) . . . . ?
C59 C58 C60 N13 -9(2) . . . . ?
C60 N13 N14 C61 -164.4(12) . . . . ?
C60 C58 C59 O9 -9(2) . . . . ?
C60 C58 C59 C54 174.1(13) . . . . ?
C61 N15 C65 C64 1.8(19) . . . . ?
C61 C62 C63 C64 3(2) . . . . ?
C62 C63 C64 C65 -2(2) . . . . ?
C63 C64 C65 N15 0(2) . . . . ?
C65 N15 C61 N14 178.1(11) . . . . ?
C65 N15 C61 C62 -1.1(19) . . . . ?
C66 O12 C67 C89 -164.0(14) . . . . ?
C66 O12 C67 C68 17(2) . . . . ?
C67 C89 C71 C70 1(2) . . . . ?
C67 C89 C71 C72 -172.9(14) . . . . ?
C67 C68 C69 C70 -1(3) . . . . ?
C68 C69 C70 C71 1(3) . . . . ?
C69 C70 C71 C89 -1(2) . . . . ?
C69 C70 C71 C72 173.4(15) . . . . ?
C70 C71 C72 N16 178.1(14) . . . . ?
C71 C89 C67 O12 -179.6(13) . . . . ?
C71 C89 C67 C68 -1(2) . . . . ?
C72 N16 N17 C73 -173.9(12) . . . . ?
C73 N18 C77 C76 3(2) . . . . ?
C73 C74 C75 C76 -1(2) . . . . ?
C74 C75 C76 C77 -1(2) . . . . ?
C75 C76 C77 N18 0(2) . . . . ?
C77 N18 C73 N17 176.8(12) . . . . ?
C77 N18 C73 C74 -4(2) . . . . ?
N7 N8 C35 N9 -8.5(18) . . . . ?
N7 N8 C35 C36 170.1(12) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.259 -0.056 0.668 1566.7 532.5 ?

_olex2_submission_special_instructions 'No special instructions were received'
_database_code_depnum_ccdc_archive 'CCDC 1027759'
#######################################################################
#
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#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
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#  data retrieval see:
#                         www.ccdc.cam.ac.uk
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data_Dy7
_vrf_PLAT019_Dy7                 
;
PROBLEM: _diffrn_measured_fraction_theta_full/_max < 1.0 0.976 Report
RESPONSE: Significant disorder in these structures leads to weak diffraction spots, and therefore prevents 100% completeness. 
;
_vrf_PLAT220_Dy7                 
;
PROBLEM: Large Non-Solvent C Ueq(max)/Ueq(min) Range 6.1 Ratio
RESPONSE: This is likely due to minor unresolved order on the terminal methyl groups.
;
_vrf_PLAT430_Dy7                 
;
PROBLEM: Short Inter D...A Contact O1B .. O20 .. 2.73 Ang.
RESPONSE: This nitrate counterion has large ADPs caused by heavy disorder. 
;
_audit_creation_date             2014-10-30
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.09.19 svn.r3010 for OlexSys, GUI svn.r4874)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C78 H72 Dy7 N22 O32, 3(N O3)'
_chemical_formula_sum            'C78 H72 Dy7 N25 O41'
_chemical_formula_weight         3153.10
_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'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   14.813(5)
_cell_length_b                   16.161(5)
_cell_length_c                   24.410(5)
_cell_angle_alpha                104.542(5)
_cell_angle_beta                 97.034(5)
_cell_angle_gamma                92.794(5)
_cell_volume                     5595(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9909
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.268
_cell_measurement_theta_min      2.374
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.703
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5355
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0882 before and 0.0512 after correction.
The Ratio of minimum to maximum transmission is 0.7181.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.872
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3010
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0803
_diffrn_reflns_av_unetI/netI     0.1453
_diffrn_reflns_Laue_measured_fraction_full 0.967
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            48248
_diffrn_reflns_point_group_measured_fraction_full 0.967
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.240
_diffrn_reflns_theta_max         25.026
_diffrn_reflns_theta_min         4.107
_diffrn_reflns_v_R_equivalents   ?
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.967
_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     0.71069
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12955
_reflns_number_total             19595
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         4.539
_refine_diff_density_min         -2.829
_refine_diff_density_rms         0.225
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1330
_refine_ls_number_reflns         19595
_refine_ls_number_restraints     2292
_refine_ls_R_factor_all          0.0996
_refine_ls_R_factor_gt           0.0616
_refine_ls_restrained_S_all      1.044
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0721P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1430
_refine_ls_wR_factor_ref         0.1535
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 O1D-N1A \\sim N1A-O1E
 with sigma of 0.02
 O1E-N1A \\sim N1A-O1F
 with sigma of 0.02
 O1F-N1A \\sim N1A-O1D
 with sigma of 0.02
 O1D-O1E \\sim O1E-O1F
 with sigma of 0.02
 O1B-O1A \\sim O1A-O1C
 with sigma of 0.02
 O1E-O1D \\sim O1D-O1F
 with sigma of 0.02
3. Restrained planarity
 O1A, O1B, N1B, O1C
 with sigma of 0.1
 O1E, N1A, O1F, O1D
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
O1C \\sim N1B \\sim O1A: within 1.7A with sigma of 0.04 and sigma for terminal
atoms of 0.08
O1A \\sim N1B \\sim O1B: within 1.7A with sigma of 0.04 and sigma for terminal
atoms of 0.08
O1B \\sim N1B \\sim O1C: within 1.7A with sigma of 0.04 and sigma for terminal
atoms of 0.08
O1C \\sim O1A \\sim O1B: within 1.7A with sigma of 0.04 and sigma for terminal
atoms of 0.08
Uanis(O1E) = Uanis(N1A) = Uanis(O1F) = Uanis(O1D)
Uanis(O1B) = Uanis(N1B) = Uanis(O1C) = Uanis(O1A)
5. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6.a Aromatic/amide H refined with riding coordinates:
 N2(H2), N5(H5), N8(H8), N11(H11), N14(H14), N17(H17), C3(H3), C4(H4), C5(H5A),
  C6(H6), C9(H9), C11(H11A), C12(H12), C13(H13), C14(H14A), C17(H17A), C18(H18),
  C19(H19), C22(H22), C24(H24), C25(H25), C28(H28), C29(H29), C30(H30),
 C33(H33), C35(H35), C36(H36), C37(H37), C38(H38), C41(H41), C42(H42), C43(H43),
  C46(H46), C48(H48), C49(H49), C50(H50), C51(H51), C54(H54), C55(H55),
 C56(H56), C59(H59), C61(H61), C62(H62), C63(H63), C66(H66), C67(H67), C68(H68),
  C71(H71), C73(H73), C74(H74), C75(H75), C76(H76), C77(H77), C78(H78)
6.b Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C15(H15A,H15B,H15C), C26(H26A,H26B,H26C), C39(H39A,H39B,
 H39C), C52(H52A,H52B,H52C), C64(H64A,H64B,H64C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.18695(5) -0.00991(4) 0.67640(2) 0.04093(18) Uani 1 1 d . . . . .
Dy2 Dy 0.17177(4) 0.03250(3) 0.83616(2) 0.02351(14) Uani 1 1 d . . . . .
Dy3 Dy 0.29445(3) 0.25532(3) 0.91330(2) 0.01960(13) Uani 1 1 d . . . . .
Dy4 Dy 0.28158(4) 0.40331(3) 0.82606(2) 0.01956(13) Uani 1 1 d . . . . .
Dy5 Dy 0.35714(4) 0.34822(3) 0.67789(2) 0.02336(14) Uani 1 1 d . . . . .
Dy6 Dy 0.35737(6) 0.10283(4) 0.62518(3) 0.0502(2) Uani 1 1 d . . . . .
Dy7 Dy 0.29365(6) 0.18512(4) 0.76275(3) 0.0517(2) Uani 1 1 d . . . . .
O1 O 0.0818(5) 0.3037(5) 0.9203(3) 0.0294(18) Uani 1 1 d . . . . .
O2 O 0.1620(5) 0.1599(5) 0.9063(3) 0.0228(15) Uani 1 1 d . . . . .
O3 O 0.1911(5) -0.0711(5) 0.7529(3) 0.0290(16) Uani 1 1 d . . . . .
O4 O 0.2952(6) -0.1349(5) 0.6779(3) 0.0352(18) Uani 1 1 d . . . . .
O5 O 0.1341(7) -0.1413(6) 0.5983(4) 0.054(2) Uani 1 1 d . . . . .
O6 O 0.2528(7) -0.0194(5) 0.5934(3) 0.047(2) Uani 1 1 d . . . . .
O7 O 0.1663(6) 0.1294(5) 0.5468(3) 0.040(2) Uani 1 1 d . . . . .
O8 O 0.3108(6) 0.2300(5) 0.5995(3) 0.0333(18) Uani 1 1 d . . . . .
O9 O 0.3792(5) 0.4469(4) 0.7682(3) 0.0203(15) Uani 1 1 d . . . . .
O10 O 0.4409(5) 0.4774(4) 0.8744(3) 0.0238(16) Uani 1 1 d . . . . .
O11 O 0.2670(5) 0.5466(4) 0.8893(3) 0.0237(16) Uani 1 1 d . . . . .
O12 O 0.2746(5) 0.4028(4) 0.9215(3) 0.0230(15) Uani 1 1 d . . . . .
O13 O 0.2093(5) 0.2698(5) 0.8308(3) 0.0253(16) Uani 1 1 d . . . . .
O14 O 0.3721(5) 0.2959(5) 0.8393(3) 0.0276(16) Uani 1 1 d . . . . .
O15 O 0.3034(5) 0.1238(4) 0.8444(3) 0.0232(15) Uani 1 1 d . . . . .
O16 O 0.1581(6) 0.0931(5) 0.7597(3) 0.0336(18) Uani 1 1 d . . . . .
O17 O 0.3335(6) 0.0504(5) 0.7094(3) 0.0376(18) Uani 1 1 d . . . . .
O18 O 0.2232(6) 0.1296(5) 0.6655(3) 0.0422(19) Uani 1 1 d . . . . .
O19 O 0.4014(6) 0.2233(5) 0.7031(3) 0.0365(18) Uani 1 1 d . . . . .
O20 O 0.2515(5) 0.3128(4) 0.7334(3) 0.0272(16) Uani 1 1 d . . . . .
O21 O 0.1954(5) 0.4925(5) 0.7697(3) 0.0278(17) Uani 1 1 d . . . . .
O22 O 0.1172(5) 0.4203(5) 0.8152(3) 0.0356(19) Uani 1 1 d . . . . .
O23 O 0.0532(6) 0.5108(7) 0.7739(5) 0.076(4) Uani 1 1 d . . . . .
O24 O 0.4625(9) -0.0133(7) 0.6024(5) 0.075(3) Uani 1 1 d . . . . .
O25 O 0.5138(8) 0.0796(7) 0.6792(5) 0.073(3) Uani 1 1 d . . . . .
O26 O 0.6094(9) -0.0151(8) 0.6408(5) 0.092(4) Uani 1 1 d . . . . .
O27 O 0.0428(8) 0.0322(7) 0.6359(4) 0.062(2) Uani 1 1 d . . . . .
O28 O 0.0241(7) -0.0563(7) 0.6870(4) 0.068(3) Uani 1 1 d . . . . .
O29 O -0.0950(10) -0.0033(9) 0.6513(6) 0.107(4) Uani 1 1 d . . . . .
O30 O 0.4295(5) 0.3294(5) 0.9817(3) 0.0219(15) Uani 1 1 d . . . . .
O31 O 0.5643(5) 0.2828(5) 0.9916(3) 0.040(2) Uani 1 1 d . . . . .
O32 O 0.4627(5) 0.2148(5) 0.9208(3) 0.0297(17) Uani 1 1 d . . . . .
O36 O 0.1888(6) 0.3474(6) 1.1547(4) 0.052(3) Uani 1 1 d . . . . .
O37 O 0.0912(9) 0.3359(7) 1.2101(6) 0.105(5) Uani 1 1 d . . . . .
O38 O 0.1577(7) 0.2234(6) 1.1705(5) 0.067(3) Uani 1 1 d . . . . .
N1 N 0.1687(6) 0.0003(6) 0.9319(4) 0.0263(19) Uani 1 1 d . . . . .
N2 N 0.2049(6) -0.0760(6) 0.9366(4) 0.030(2) Uani 1 1 d . . . . .
H2 H 0.1829 -0.1080 0.9570 0.036 Uiso 1 1 calc R . . . .
N3 N 0.2894(6) -0.0609(6) 0.8645(4) 0.0284(19) Uani 1 1 d . . . . .
N4 N 0.0663(6) -0.1015(6) 0.8219(4) 0.0273(19) Uani 1 1 d . . . . .
N5 N -0.0147(7) -0.0869(6) 0.8435(4) 0.037(2) Uani 1 1 d . . . . .
H5 H -0.0412 -0.1235 0.8590 0.044 Uiso 1 1 calc R . . . .
N6 N 0.0054(7) 0.0518(6) 0.8353(4) 0.034(2) Uani 1 1 d . . . . .
N7 N 0.3557(9) 0.0512(8) 0.5177(5) 0.057(3) Uani 1 1 d . . . . .
N8 N 0.4200(10) 0.0970(8) 0.4964(5) 0.064(3) Uani 1 1 d . . . . .
H8 H 0.4141 0.0917 0.4593 0.077 Uiso 1 1 calc R . . . .
N9 N 0.4937(10) 0.1593(8) 0.5858(5) 0.060(3) Uani 1 1 d . . . . .
N10 N 0.4377(7) 0.3613(6) 0.5958(4) 0.037(2) Uani 1 1 d . . . . .
N11 N 0.5170(7) 0.4142(6) 0.6113(4) 0.039(2) Uani 1 1 d . . . . .
H11 H 0.5360 0.4417 0.5874 0.047 Uiso 1 1 calc R . . . .
N12 N 0.5245(6) 0.3897(6) 0.6998(4) 0.030(2) Uani 1 1 d . . . . .
N13 N 0.3678(7) 0.5005(6) 0.6693(4) 0.031(2) Uani 1 1 d . . . . .
N14 N 0.3228(7) 0.5103(6) 0.6190(4) 0.036(2) Uani 1 1 d . . . . .
H14 H 0.3458 0.5454 0.6010 0.044 Uiso 1 1 calc R . . . .
N15 N 0.2241(7) 0.3976(6) 0.6220(4) 0.037(2) Uani 1 1 d . . . . .
N16 N 0.2541(6) 0.3207(5) 1.0131(4) 0.0197(17) Uani 1 1 d . . . . .
N17 N 0.2518(6) 0.2652(6) 1.0476(4) 0.025(2) Uani 1 1 d . . . . .
H17 H 0.2225 0.2782 1.0775 0.030 Uiso 1 1 calc R . . . .
N18 N 0.3311(6) 0.1680(6) 0.9874(4) 0.0248(18) Uani 1 1 d . . . . .
N19 N 0.1207(7) 0.4771(7) 0.7855(4) 0.038(2) Uani 1 1 d . . . . .
N20 N -0.0107(11) -0.0085(9) 0.6577(6) 0.068(3) Uani 1 1 d . . . . .
N21 N 0.5259(12) 0.0111(10) 0.6402(6) 0.077(4) Uani 1 1 d . . . . .
N22 N 0.4881(6) 0.2756(6) 0.9655(4) 0.028(2) Uani 1 1 d . . . . .
N24 N 0.1461(8) 0.3015(8) 1.1776(6) 0.058(3) Uani 1 1 d . . . . .
C1 C 0.0328(8) 0.3788(8) 0.9244(5) 0.037(3) Uani 1 1 d . . . . .
H1A H 0.0507 0.4093 0.8969 0.055 Uiso 1 1 calc GR . . . .
H1B H 0.0470 0.4165 0.9632 0.055 Uiso 1 1 calc GR . . . .
H1C H -0.0329 0.3620 0.9160 0.055 Uiso 1 1 calc GR . . . .
C2 C 0.0603(7) 0.2525(7) 0.9548(5) 0.023(2) Uani 1 1 d . . . . .
C3 C 0.0068(8) 0.2738(8) 0.9980(5) 0.031(3) Uani 1 1 d . . . . .
H3 H -0.0206 0.3267 1.0049 0.037 Uiso 1 1 calc R . . . .
C4 C -0.0062(8) 0.2173(8) 1.0311(5) 0.032(3) Uani 1 1 d . . . . .
H4 H -0.0429 0.2318 1.0609 0.038 Uiso 1 1 calc R . . . .
C5 C 0.0325(7) 0.1417(7) 1.0216(5) 0.028(2) Uani 1 1 d . . . . .
H5A H 0.0218 0.1040 1.0448 0.033 Uiso 1 1 calc R . . . .
C6 C -0.1236(9) 0.1368(9) 0.8341(6) 0.052(3) Uani 1 1 d . . . . .
H6 H -0.1461 0.1904 0.8326 0.062 Uiso 1 1 calc R . . . .
C7 C 0.0869(7) 0.1179(7) 0.9794(5) 0.026(2) Uani 1 1 d . . . . .
C8 C 0.1053(7) 0.1743(7) 0.9458(4) 0.023(2) Uani 1 1 d . . . . .
C9 C 0.1255(7) 0.0388(7) 0.9729(4) 0.021(2) Uani 1 1 d . . . . .
H9 H 0.1192 0.0102 1.0020 0.025 Uiso 1 1 calc R . . . .
C10 C 0.2767(7) -0.0977(6) 0.9073(5) 0.024(2) Uani 1 1 d . . . . .
C11 C 0.3343(8) -0.1574(7) 0.9218(5) 0.032(3) Uani 1 1 d . . . . .
H11A H 0.3235 -0.1838 0.9513 0.039 Uiso 1 1 calc R . . . .
C12 C 0.4074(9) -0.1767(8) 0.8920(5) 0.037(3) Uani 1 1 d . . . . .
H12 H 0.4476 -0.2169 0.9009 0.045 Uiso 1 1 calc R . . . .
C13 C 0.4223(9) -0.1370(8) 0.8485(5) 0.040(3) Uani 1 1 d . . . . .
H13 H 0.4734 -0.1474 0.8285 0.048 Uiso 1 1 calc R . . . .
C14 C 0.3593(8) -0.0827(7) 0.8365(5) 0.028(2) Uani 1 1 d . . . . .
H14A H 0.3664 -0.0584 0.8054 0.033 Uiso 1 1 calc R . . . .
C15 C 0.3537(9) -0.1675(8) 0.6367(6) 0.046(3) Uani 1 1 d . . . . .
H15A H 0.3204 -0.2145 0.6064 0.068 Uiso 1 1 calc GR . . . .
H15B H 0.4068 -0.1889 0.6553 0.068 Uiso 1 1 calc GR . . . .
H15C H 0.3741 -0.1217 0.6203 0.068 Uiso 1 1 calc GR . . . .
C16 C 0.2583(8) -0.1930(7) 0.7041(5) 0.027(2) Uani 1 1 d . . . . .
C17 C 0.2714(9) -0.2798(7) 0.6921(5) 0.037(3) Uani 1 1 d . . . . .
H17A H 0.3117 -0.3033 0.6660 0.045 Uiso 1 1 calc R . . . .
C18 C 0.2249(9) -0.3327(8) 0.7189(5) 0.036(3) Uani 1 1 d . . . . .
H18 H 0.2330 -0.3923 0.7112 0.044 Uiso 1 1 calc R . . . .
C19 C 0.1666(8) -0.2957(7) 0.7568(5) 0.034(3) Uani 1 1 d . . . . .
H19 H 0.1334 -0.3314 0.7743 0.040 Uiso 1 1 calc R . . . .
C20 C 0.1553(8) -0.2098(7) 0.7701(5) 0.034(3) Uani 1 1 d . . . . .
C21 C 0.2014(7) -0.1564(7) 0.7442(5) 0.024(2) Uani 1 1 d . . . . .
C22 C 0.0803(8) -0.1815(7) 0.8028(5) 0.030(2) Uani 1 1 d . . . . .
H22 H 0.0402 -0.2238 0.8102 0.036 Uiso 1 1 calc R . . . .
C23 C -0.0514(8) -0.0135(8) 0.8396(5) 0.033(2) Uani 1 1 d . . . . .
C24 C -0.1431(10) -0.0068(10) 0.8424(6) 0.054(4) Uani 1 1 d . . . . .
H24 H -0.1801 -0.0534 0.8474 0.065 Uiso 1 1 calc R . . . .
C25 C -0.0303(9) 0.1245(8) 0.8325(5) 0.041(3) Uani 1 1 d . . . . .
H25 H 0.0090 0.1707 0.8292 0.049 Uiso 1 1 calc R . . . .
C26 C 0.0782(11) -0.2139(9) 0.6040(7) 0.066(4) Uani 1 1 d . . . . .
H26A H 0.0722 -0.2073 0.6444 0.100 Uiso 1 1 calc GR . . . .
H26B H 0.1071 -0.2669 0.5894 0.100 Uiso 1 1 calc GR . . . .
H26C H 0.0177 -0.2168 0.5820 0.100 Uiso 1 1 calc GR . . . .
C27 C 0.1553(11) -0.1406(10) 0.5448(6) 0.061(4) Uani 1 1 d . . . . .
C28 C 0.1155(14) -0.2003(13) 0.4954(7) 0.102(7) Uani 1 1 d . . . . .
H28 H 0.0745 -0.2465 0.4969 0.122 Uiso 1 1 calc R . . . .
C29 C 0.1379(15) -0.1900(14) 0.4431(8) 0.109(8) Uani 1 1 d . . . . .
H29 H 0.1128 -0.2312 0.4087 0.131 Uiso 1 1 calc R . . . .
C30 C 0.1945(12) -0.1226(12) 0.4401(7) 0.078(5) Uani 1 1 d . . . . .
H30 H 0.1998 -0.1125 0.4039 0.093 Uiso 1 1 calc R . . . .
C31 C 0.2443(11) -0.0685(10) 0.4885(6) 0.058(3) Uani 1 1 d . . . . .
C32 C 0.2204(10) -0.0753(9) 0.5412(6) 0.050(3) Uani 1 1 d . . . . .
C33 C 0.3070(12) -0.0060(10) 0.4813(7) 0.065(4) Uani 1 1 d . . . . .
H33 H 0.3131 -0.0076 0.4428 0.078 Uiso 1 1 calc R . . . .
C34 C 0.4916(13) 0.1498(11) 0.5307(7) 0.068(4) Uani 1 1 d . . . . .
C35 C 0.5550(13) 0.1930(10) 0.5045(7) 0.071(4) Uani 1 1 d . . . . .
H35 H 0.5467 0.1877 0.4645 0.085 Uiso 1 1 calc R . . . .
C36 C 0.6249(14) 0.2402(11) 0.5387(8) 0.081(4) Uani 1 1 d . . . . .
H36 H 0.6686 0.2704 0.5238 0.098 Uiso 1 1 calc R . . . .
C37 C 0.6332(14) 0.2449(12) 0.5947(8) 0.087(5) Uani 1 1 d . . . . .
H37 H 0.6854 0.2754 0.6193 0.105 Uiso 1 1 calc R . . . .
C38 C 0.5669(12) 0.2058(10) 0.6172(7) 0.068(4) Uani 1 1 d . . . . .
H38 H 0.5743 0.2127 0.6574 0.082 Uiso 1 1 calc R . . . .
C39 C 0.0859(9) 0.0746(10) 0.5194(6) 0.054(4) Uani 1 1 d . . . . .
H39A H 0.0948 0.0441 0.4806 0.082 Uiso 1 1 calc GR . . . .
H39B H 0.0337 0.1093 0.5177 0.082 Uiso 1 1 calc GR . . . .
H39C H 0.0742 0.0329 0.5413 0.082 Uiso 1 1 calc GR . . . .
C40 C 0.2028(9) 0.1780(8) 0.5152(5) 0.033(3) Uani 1 1 d . . . . .
C41 C 0.1736(11) 0.1758(11) 0.4610(6) 0.062(4) Uani 1 1 d . . . . .
H41 H 0.1244 0.1361 0.4400 0.074 Uiso 1 1 calc R . . . .
C42 C 0.2155(12) 0.2319(12) 0.4353(6) 0.079(6) Uani 1 1 d . . . . .
H42 H 0.1902 0.2350 0.3983 0.095 Uiso 1 1 calc R . . . .
C43 C 0.2903(12) 0.2814(11) 0.4616(6) 0.071(5) Uani 1 1 d . . . . .
H43 H 0.3210 0.3147 0.4414 0.085 Uiso 1 1 calc R . . . .
C44 C 0.3250(10) 0.2856(9) 0.5177(5) 0.043(3) Uani 1 1 d . . . . .
C45 C 0.2810(8) 0.2309(8) 0.5458(5) 0.032(2) Uani 1 1 d . . . . .
C46 C 0.4057(9) 0.3394(8) 0.5418(5) 0.044(3) Uani 1 1 d . . . . .
H46 H 0.4388 0.3610 0.5167 0.053 Uiso 1 1 calc R . . . .
C47 C 0.5652(9) 0.4235(8) 0.6627(5) 0.037(3) Uani 1 1 d . . . . .
C48 C 0.6537(10) 0.4705(10) 0.6801(6) 0.055(4) Uani 1 1 d . . . . .
H48 H 0.6815 0.4947 0.6540 0.066 Uiso 1 1 calc R . . . .
C49 C 0.6964(10) 0.4798(10) 0.7330(6) 0.055(4) Uani 1 1 d . . . . .
H49 H 0.7524 0.5146 0.7450 0.066 Uiso 1 1 calc R . . . .
C50 C 0.6619(10) 0.4410(10) 0.7704(6) 0.057(4) Uani 1 1 d . . . . .
H50 H 0.6950 0.4433 0.8067 0.069 Uiso 1 1 calc R . . . .
C51 C 0.5759(8) 0.3980(8) 0.7526(5) 0.040(3) Uani 1 1 d . . . . .
H51 H 0.5501 0.3721 0.7787 0.048 Uiso 1 1 calc R . . . .
C52 C 0.4782(8) 0.4910(7) 0.9327(4) 0.027(3) Uani 1 1 d . . . . .
H52A H 0.4730 0.5507 0.9532 0.041 Uiso 1 1 calc GR . . . .
H52B H 0.5426 0.4792 0.9352 0.041 Uiso 1 1 calc GR . . . .
H52C H 0.4447 0.4525 0.9498 0.041 Uiso 1 1 calc GR . . . .
C53 C 0.4757(7) 0.5352(7) 0.8470(4) 0.019(2) Uani 1 1 d . . . . .
C54 C 0.5401(7) 0.6041(7) 0.8717(5) 0.028(3) Uani 1 1 d . . . . .
H54 H 0.5654 0.6146 0.9108 0.034 Uiso 1 1 calc R . . . .
C55 C 0.5675(8) 0.6572(7) 0.8394(5) 0.031(3) Uani 1 1 d . . . . .
H55 H 0.6111 0.7047 0.8560 0.038 Uiso 1 1 calc R . . . .
C56 C 0.5308(8) 0.6405(7) 0.7830(5) 0.028(3) Uani 1 1 d . . . . .
H56 H 0.5487 0.6778 0.7610 0.033 Uiso 1 1 calc R . . . .
C57 C 0.4670(7) 0.5692(6) 0.7565(4) 0.018(2) Uani 1 1 d . . . . .
C58 C 0.4410(7) 0.5139(6) 0.7885(4) 0.020(2) Uani 1 1 d . . . . .
C59 C 0.4234(7) 0.5647(7) 0.6996(4) 0.024(2) Uani 1 1 d . . . . .
H59 H 0.4360 0.6110 0.6835 0.029 Uiso 1 1 calc R . . . .
C60 C 0.2404(9) 0.4631(8) 0.5979(5) 0.040(3) Uani 1 1 d . . . . .
C61 C 0.1863(10) 0.4804(10) 0.5537(6) 0.056(4) Uani 1 1 d . . . . .
H61 H 0.2048 0.5236 0.5363 0.068 Uiso 1 1 calc R . . . .
C62 C 0.1031(13) 0.4325(12) 0.5351(9) 0.097(6) Uani 1 1 d . . . . .
H62 H 0.0622 0.4429 0.5048 0.117 Uiso 1 1 calc R . . . .
C63 C 0.0802(13) 0.3678(13) 0.5619(9) 0.096(6) Uani 1 1 d . . . . .
H63 H 0.0223 0.3359 0.5513 0.116 Uiso 1 1 calc R . . . .
C64 C 0.2812(8) 0.6260(7) 0.8758(4) 0.029(3) Uani 1 1 d . . . . .
H64A H 0.3015 0.6161 0.8381 0.043 Uiso 1 1 calc GR . . . .
H64B H 0.3279 0.6629 0.9046 0.043 Uiso 1 1 calc GR . . . .
H64C H 0.2240 0.6540 0.8753 0.043 Uiso 1 1 calc GR . . . .
C65 C 0.2495(7) 0.5516(7) 0.9459(4) 0.022(2) Uani 1 1 d . . . . .
C66 C 0.2320(7) 0.6243(7) 0.9822(5) 0.026(2) Uani 1 1 d . . . . .
H66 H 0.2316 0.6763 0.9707 0.031 Uiso 1 1 calc R . . . .
C67 C 0.2145(8) 0.6232(8) 1.0363(5) 0.030(3) Uani 1 1 d . . . . .
H67 H 0.2018 0.6745 1.0623 0.036 Uiso 1 1 calc R . . . .
C68 C 0.2157(8) 0.5482(7) 1.0522(5) 0.031(3) Uani 1 1 d . . . . .
H68 H 0.2030 0.5479 1.0894 0.037 Uiso 1 1 calc R . . . .
C69 C 0.2352(7) 0.4705(7) 1.0148(4) 0.022(2) Uani 1 1 d . . . . .
C70 C 0.2546(7) 0.4724(7) 0.9605(4) 0.018(2) Uani 1 1 d . . . . .
C71 C 0.2373(7) 0.3968(7) 1.0372(5) 0.022(2) Uani 1 1 d . . . . .
H71 H 0.2243 0.4058 1.0753 0.027 Uiso 1 1 calc R . . . .
C72 C 0.2935(7) 0.1907(7) 1.0365(4) 0.021(2) Uani 1 1 d . . . . .
C73 C 0.2987(8) 0.1423(7) 1.0768(5) 0.028(2) Uani 1 1 d . . . . .
H73 H 0.2698 0.1592 1.1101 0.034 Uiso 1 1 calc R . . . .
C74 C 0.3449(8) 0.0720(7) 1.0679(5) 0.029(2) Uani 1 1 d . . . . .
H74 H 0.3499 0.0390 1.0951 0.034 Uiso 1 1 calc R . . . .
C75 C 0.3867(7) 0.0471(7) 1.0171(5) 0.028(2) Uani 1 1 d . . . . .
H75 H 0.4194 -0.0028 1.0099 0.034 Uiso 1 1 calc R . . . .
C76 C 0.3785(7) 0.0962(7) 0.9795(5) 0.029(2) Uani 1 1 d . . . . .
H76 H 0.4070 0.0800 0.9460 0.035 Uiso 1 1 calc R . . . .
C77 C 0.1424(10) 0.3519(10) 0.6035(7) 0.062(4) Uani 1 1 d . . . . .
H77 H 0.1275 0.3066 0.6201 0.074 Uiso 1 1 calc R . . . .
C78 C -0.1818(11) 0.0697(9) 0.8379(6) 0.058(4) Uani 1 1 d . . . . .
H78 H -0.2455 0.0748 0.8376 0.070 Uiso 1 1 calc R . . . .
O1A O 0.0243(12) 0.2129(15) 0.7458(8) 0.181(5) Uani 1 1 d . . . . .
O1B O 0.0744(13) 0.2564(14) 0.6885(7) 0.181(5) Uani 1 1 d . . . . .
N1B N 0.0082(19) 0.2558(16) 0.7078(11) 0.181(5) Uani 1 1 d . . . . .
O1C O -0.0699(13) 0.2739(13) 0.7063(7) 0.181(5) Uani 1 1 d . . . . .
O1D O 0.4842(11) -0.0527(15) 0.7409(6) 0.260(8) Uani 1 1 d . . . . .
O1E O 0.6091(11) -0.0137(15) 0.8010(6) 0.260(8) Uani 1 1 d . . . . .
O1F O 0.4915(10) 0.0705(14) 0.8105(7) 0.260(8) Uani 1 1 d . . . . .
N1A N 0.5333(11) 0.0019(13) 0.7815(7) 0.260(8) 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 Dy6 3.5671(12) . ?
Dy1 Dy7 3.4982(12) . ?
Dy1 O3 2.318(7) . ?
Dy1 O4 2.644(8) . ?
Dy1 O5 2.490(9) . ?
Dy1 O6 2.328(9) . ?
Dy1 O16 2.381(8) . ?
Dy1 O17 2.298(9) . ?
Dy1 O18 2.380(8) . ?
Dy1 O27 2.441(10) . ?
Dy1 O28 2.553(11) . ?
Dy1 N20 2.910(16) . ?
Dy2 Dy3 3.8644(12) . ?
Dy2 Dy7 3.8901(10) . ?
Dy2 O2 2.348(7) . ?
Dy2 O3 2.344(7) . ?
Dy2 O15 2.345(7) . ?
Dy2 O16 2.309(7) . ?
Dy2 N1 2.523(9) . ?
Dy2 N3 2.506(9) . ?
Dy2 N4 2.532(9) . ?
Dy2 N6 2.498(10) . ?
Dy3 Dy4 3.5767(10) . ?
Dy3 Dy7 3.5619(11) . ?
Dy3 O2 2.397(7) . ?
Dy3 O12 2.377(7) . ?
Dy3 O13 2.311(7) . ?
Dy3 O14 2.459(7) . ?
Dy3 O15 2.378(7) . ?
Dy3 O30 2.483(7) . ?
Dy3 O32 2.604(7) . ?
Dy3 N16 2.555(9) . ?
Dy3 N18 2.583(9) . ?
Dy4 Dy7 3.4994(13) . ?
Dy4 O9 2.341(7) . ?
Dy4 O10 2.593(7) . ?
Dy4 O11 2.475(7) . ?
Dy4 O12 2.346(7) . ?
Dy4 O13 2.397(7) . ?
Dy4 O14 2.306(7) . ?
Dy4 O20 2.342(7) . ?
Dy4 O21 2.520(7) . ?
Dy4 O22 2.454(8) . ?
Dy4 N19 2.894(10) . ?
Dy5 Dy6 3.8500(14) . ?
Dy5 Dy7 3.8858(11) . ?
Dy5 O8 2.346(7) . ?
Dy5 O9 2.350(7) . ?
Dy5 O19 2.354(8) . ?
Dy5 O20 2.330(7) . ?
Dy5 N10 2.502(9) . ?
Dy5 N12 2.493(10) . ?
Dy5 N13 2.521(10) . ?
Dy5 N15 2.535(10) . ?
Dy6 Dy7 3.5484(11) . ?
Dy6 O6 2.354(9) . ?
Dy6 O8 2.402(8) . ?
Dy6 O17 2.467(7) . ?
Dy6 O18 2.335(9) . ?
Dy6 O19 2.355(8) . ?
Dy6 O24 2.496(11) . ?
Dy6 O25 2.613(11) . ?
Dy6 N7 2.544(11) . ?
Dy6 N9 2.563(13) . ?
Dy7 O13 2.394(7) . ?
Dy7 O14 2.373(8) . ?
Dy7 O15 2.430(7) . ?
Dy7 O16 2.422(8) . ?
Dy7 O17 2.382(8) . ?
Dy7 O18 2.401(8) . ?
Dy7 O19 2.444(8) . ?
Dy7 O20 2.434(7) . ?
O1 C1 1.432(13) . ?
O1 C2 1.374(12) . ?
O2 C8 1.340(12) . ?
O3 C21 1.361(12) . ?
O4 C15 1.425(13) . ?
O4 C16 1.388(12) . ?
O5 C26 1.447(17) . ?
O5 C27 1.384(17) . ?
O6 C32 1.379(15) . ?
O7 C39 1.433(14) . ?
O7 C40 1.366(13) . ?
O8 C45 1.335(13) . ?
O9 C58 1.333(12) . ?
O10 C52 1.420(11) . ?
O10 C53 1.392(12) . ?
O11 C64 1.414(12) . ?
O11 C65 1.420(12) . ?
O12 C70 1.352(12) . ?
O21 N19 1.251(12) . ?
O22 N19 1.307(12) . ?
O23 N19 1.198(12) . ?
O24 N21 1.207(17) . ?
O25 N21 1.301(16) . ?
O26 N21 1.327(18) . ?
O27 N20 1.254(16) . ?
O28 N20 1.265(15) . ?
O29 N20 1.248(17) . ?
O30 N22 1.285(11) . ?
O31 N22 1.212(11) . ?
O32 N22 1.274(11) . ?
O36 N24 1.228(13) . ?
O37 N24 1.258(15) . ?
O38 N24 1.253(14) . ?
N1 N2 1.393(12) . ?
N1 C9 1.298(13) . ?
N2 H2 0.8800 . ?
N2 C10 1.365(14) . ?
N3 C10 1.352(13) . ?
N3 C14 1.325(14) . ?
N4 N5 1.377(13) . ?
N4 C22 1.295(14) . ?
N5 H5 0.8800 . ?
N5 C23 1.348(15) . ?
N6 C23 1.350(14) . ?
N6 C25 1.326(15) . ?
N7 N8 1.403(17) . ?
N7 C33 1.236(19) . ?
N8 H8 0.8800 . ?
N8 C34 1.38(2) . ?
N9 C34 1.311(18) . ?
N9 C38 1.33(2) . ?
N10 N11 1.374(13) . ?
N10 C46 1.296(15) . ?
N11 H11 0.8800 . ?
N11 C47 1.335(15) . ?
N12 C47 1.353(14) . ?
N12 C51 1.386(15) . ?
N13 N14 1.373(12) . ?
N13 C59 1.298(14) . ?
N14 H14 0.8800 . ?
N14 C60 1.377(15) . ?
N15 C60 1.359(16) . ?
N15 C77 1.351(16) . ?
N16 N17 1.378(11) . ?
N16 C71 1.274(13) . ?
N17 H17 0.8800 . ?
N17 C72 1.361(13) . ?
N18 C72 1.359(13) . ?
N18 C76 1.371(14) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 C3 1.380(15) . ?
C2 C8 1.439(15) . ?
C3 H3 0.9500 . ?
C3 C4 1.384(15) . ?
C4 H4 0.9500 . ?
C4 C5 1.354(15) . ?
C5 H5A 0.9500 . ?
C5 C7 1.376(15) . ?
C6 H6 0.9500 . ?
C6 C25 1.410(18) . ?
C6 C78 1.381(19) . ?
C7 C8 1.408(15) . ?
C7 C9 1.407(15) . ?
C9 H9 0.9500 . ?
C10 C11 1.401(15) . ?
C11 H11A 0.9500 . ?
C11 C12 1.383(16) . ?
C12 H12 0.9500 . ?
C12 C13 1.405(16) . ?
C13 H13 0.9500 . ?
C13 C14 1.368(16) . ?
C14 H14A 0.9500 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.387(15) . ?
C16 C21 1.406(15) . ?
C17 H17A 0.9500 . ?
C17 C18 1.401(15) . ?
C18 H18 0.9500 . ?
C18 C19 1.389(16) . ?
C19 H19 0.9500 . ?
C19 C20 1.369(16) . ?
C20 C21 1.389(15) . ?
C20 C22 1.471(16) . ?
C22 H22 0.9500 . ?
C23 C24 1.378(17) . ?
C24 H24 0.9500 . ?
C24 C78 1.411(19) . ?
C25 H25 0.9500 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C28 1.38(2) . ?
C27 C32 1.42(2) . ?
C28 H28 0.9500 . ?
C28 C29 1.41(2) . ?
C29 H29 0.9500 . ?
C29 C30 1.36(2) . ?
C30 H30 0.9500 . ?
C30 C31 1.38(2) . ?
C31 C32 1.405(19) . ?
C31 C33 1.40(2) . ?
C33 H33 0.9500 . ?
C34 C35 1.44(2) . ?
C35 H35 0.9500 . ?
C35 C36 1.32(2) . ?
C36 H36 0.9500 . ?
C36 C37 1.34(2) . ?
C37 H37 0.9500 . ?
C37 C38 1.38(2) . ?
C38 H38 0.9500 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 C41 1.332(16) . ?
C40 C45 1.415(17) . ?
C41 H41 0.9500 . ?
C41 C42 1.39(2) . ?
C42 H42 0.9500 . ?
C42 C43 1.33(2) . ?
C43 H43 0.9500 . ?
C43 C44 1.386(18) . ?
C44 C45 1.427(16) . ?
C44 C46 1.414(18) . ?
C46 H46 0.9500 . ?
C47 C48 1.442(18) . ?
C48 H48 0.9500 . ?
C48 C49 1.336(19) . ?
C49 H49 0.9500 . ?
C49 C50 1.363(19) . ?
C50 H50 0.9500 . ?
C50 C51 1.386(18) . ?
C51 H51 0.9500 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 C54 1.390(14) . ?
C53 C58 1.407(14) . ?
C54 H54 0.9500 . ?
C54 C55 1.383(15) . ?
C55 H55 0.9500 . ?
C55 C56 1.370(15) . ?
C56 H56 0.9500 . ?
C56 C57 1.418(14) . ?
C57 C58 1.395(13) . ?
C57 C59 1.441(14) . ?
C59 H59 0.9500 . ?
C60 C61 1.359(17) . ?
C61 H61 0.9500 . ?
C61 C62 1.38(2) . ?
C62 H62 0.9500 . ?
C62 C63 1.42(3) . ?
C63 H63 0.9500 . ?
C63 C77 1.37(2) . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C65 C66 1.340(15) . ?
C65 C70 1.415(14) . ?
C66 H66 0.9500 . ?
C66 C67 1.381(15) . ?
C67 H67 0.9500 . ?
C67 C68 1.364(15) . ?
C68 H68 0.9500 . ?
C68 C69 1.421(15) . ?
C69 C70 1.398(14) . ?
C69 C71 1.429(14) . ?
C71 H71 0.9500 . ?
C72 C73 1.400(14) . ?
C73 H73 0.9500 . ?
C73 C74 1.340(15) . ?
C74 H74 0.9500 . ?
C74 C75 1.429(16) . ?
C75 H75 0.9500 . ?
C75 C76 1.355(15) . ?
C76 H76 0.9500 . ?
C77 H77 0.9500 . ?
C78 H78 0.9500 . ?
O1A N1B 1.30(3) . ?
O1B N1B 1.14(3) . ?
N1B O1C 1.21(3) . ?
O1D N1A 1.268(16) . ?
O1E N1A 1.229(16) . ?
O1F N1A 1.377(16) . ?

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
Dy7 Dy1 Dy6 60.29(2) . . ?
O3 Dy1 Dy6 132.59(19) . . ?
O3 Dy1 Dy7 92.46(18) . . ?
O3 Dy1 O4 62.4(3) . . ?
O3 Dy1 O5 98.2(3) . . ?
O3 Dy1 O6 140.5(3) . . ?
O3 Dy1 O16 69.8(3) . . ?
O3 Dy1 O18 135.3(3) . . ?
O3 Dy1 O27 119.9(3) . . ?
O3 Dy1 O28 71.0(3) . . ?
O3 Dy1 N20 95.5(3) . . ?
O4 Dy1 Dy6 89.93(17) . . ?
O4 Dy1 Dy7 110.42(18) . . ?
O4 Dy1 N20 132.3(3) . . ?
O5 Dy1 Dy6 106.1(2) . . ?
O5 Dy1 Dy7 166.3(2) . . ?
O5 Dy1 O4 67.8(3) . . ?
O5 Dy1 O28 72.1(3) . . ?
O5 Dy1 N20 75.2(3) . . ?
O6 Dy1 Dy6 40.6(2) . . ?
O6 Dy1 Dy7 100.8(2) . . ?
O6 Dy1 O4 78.1(3) . . ?
O6 Dy1 O5 65.6(3) . . ?
O6 Dy1 O16 140.8(3) . . ?
O6 Dy1 O18 69.7(3) . . ?
O6 Dy1 O27 93.4(3) . . ?
O6 Dy1 O28 129.0(3) . . ?
O6 Dy1 N20 112.9(4) . . ?
O16 Dy1 Dy6 102.62(18) . . ?
O16 Dy1 Dy7 43.71(19) . . ?
O16 Dy1 O4 124.1(3) . . ?
O16 Dy1 O5 149.0(3) . . ?
O16 Dy1 O27 82.4(3) . . ?
O16 Dy1 O28 76.9(3) . . ?
O16 Dy1 N20 77.6(3) . . ?
O17 Dy1 Dy6 43.37(18) . . ?
O17 Dy1 Dy7 42.5(2) . . ?
O17 Dy1 O3 89.8(3) . . ?
O17 Dy1 O4 71.7(3) . . ?
O17 Dy1 O5 128.5(3) . . ?
O17 Dy1 O6 76.2(3) . . ?
O17 Dy1 O16 81.1(3) . . ?
O17 Dy1 O18 62.6(3) . . ?
O17 Dy1 O27 137.8(3) . . ?
O17 Dy1 O28 154.7(3) . . ?
O17 Dy1 N20 154.7(3) . . ?
O18 Dy1 Dy6 40.4(2) . . ?
O18 Dy1 Dy7 43.21(19) . . ?
O18 Dy1 O4 128.7(3) . . ?
O18 Dy1 O5 126.5(3) . . ?
O18 Dy1 O16 71.5(3) . . ?
O18 Dy1 O27 75.4(3) . . ?
O18 Dy1 O28 120.3(3) . . ?
O18 Dy1 N20 97.3(4) . . ?
O27 Dy1 Dy6 104.4(3) . . ?
O27 Dy1 Dy7 102.7(2) . . ?
O27 Dy1 O4 146.8(3) . . ?
O27 Dy1 O5 79.4(3) . . ?
O27 Dy1 O28 50.9(4) . . ?
O27 Dy1 N20 25.2(3) . . ?
O28 Dy1 Dy6 155.3(2) . . ?
O28 Dy1 Dy7 119.8(2) . . ?
O28 Dy1 O4 111.0(3) . . ?
O28 Dy1 N20 25.7(3) . . ?
N20 Dy1 Dy6 129.6(3) . . ?
N20 Dy1 Dy7 112.4(3) . . ?
Dy1 Dy2 Dy3 108.611(18) . . ?
Dy1 Dy2 Dy7 53.933(18) . . ?
Dy3 Dy2 Dy7 54.69(2) . . ?
O2 Dy2 Dy1 131.54(17) . . ?
O2 Dy2 Dy3 35.90(17) . . ?
O2 Dy2 Dy7 83.45(17) . . ?
O2 Dy2 N1 70.3(3) . . ?
O2 Dy2 N3 114.4(3) . . ?
O2 Dy2 N4 123.2(3) . . ?
O2 Dy2 N6 74.1(3) . . ?
O3 Dy2 Dy1 34.69(17) . . ?
O3 Dy2 Dy3 133.36(18) . . ?
O3 Dy2 Dy7 82.68(18) . . ?
O3 Dy2 O2 165.7(2) . . ?
O3 Dy2 O15 99.0(3) . . ?
O3 Dy2 N1 123.5(3) . . ?
O3 Dy2 N3 73.0(3) . . ?
O3 Dy2 N4 68.7(3) . . ?
O3 Dy2 N6 108.5(3) . . ?
O15 Dy2 Dy1 82.94(17) . . ?
O15 Dy2 Dy3 35.37(17) . . ?
O15 Dy2 Dy7 36.18(17) . . ?
O15 Dy2 O2 71.3(2) . . ?
O15 Dy2 N1 107.0(3) . . ?
O15 Dy2 N3 80.8(3) . . ?
O15 Dy2 N4 161.7(3) . . ?
O15 Dy2 N6 135.1(3) . . ?
O16 Dy2 Dy1 36.01(19) . . ?
O16 Dy2 Dy3 81.76(19) . . ?
O16 Dy2 Dy7 35.6(2) . . ?
O16 Dy2 O2 96.0(3) . . ?
O16 Dy2 O3 70.6(3) . . ?
O16 Dy2 O15 71.8(3) . . ?
O16 Dy2 N1 165.4(3) . . ?
O16 Dy2 N3 129.5(3) . . ?
O16 Dy2 N4 114.2(3) . . ?
O16 Dy2 N6 84.5(3) . . ?
N1 Dy2 Dy1 158.2(2) . . ?
N1 Dy2 Dy3 89.3(2) . . ?
N1 Dy2 Dy7 141.8(2) . . ?
N1 Dy2 N4 71.6(3) . . ?
N3 Dy2 Dy1 100.5(2) . . ?
N3 Dy2 Dy3 99.6(2) . . ?
N3 Dy2 Dy7 106.5(2) . . ?
N3 Dy2 N1 63.2(3) . . ?
N3 Dy2 N4 82.5(3) . . ?
N4 Dy2 Dy1 92.7(2) . . ?
N4 Dy2 Dy3 157.7(2) . . ?
N4 Dy2 Dy7 146.22(19) . . ?
N6 Dy2 Dy1 99.9(2) . . ?
N6 Dy2 Dy3 105.3(2) . . ?
N6 Dy2 Dy7 112.8(2) . . ?
N6 Dy2 N1 86.7(3) . . ?
N6 Dy2 N3 140.6(3) . . ?
N6 Dy2 N4 63.2(3) . . ?
Dy4 Dy3 Dy2 112.95(2) . . ?
Dy7 Dy3 Dy2 63.024(16) . . ?
Dy7 Dy3 Dy4 58.71(2) . . ?
O2 Dy3 Dy2 35.05(17) . . ?
O2 Dy3 Dy4 117.59(16) . . ?
O2 Dy3 Dy7 90.42(17) . . ?
O2 Dy3 O14 131.3(2) . . ?
O2 Dy3 O30 141.4(2) . . ?
O2 Dy3 O32 125.8(2) . . ?
O2 Dy3 N16 83.0(2) . . ?
O2 Dy3 N18 73.2(3) . . ?
O12 Dy3 Dy2 139.45(17) . . ?
O12 Dy3 Dy4 40.45(16) . . ?
O12 Dy3 Dy7 99.00(16) . . ?
O12 Dy3 O2 118.3(2) . . ?
O12 Dy3 O14 73.1(2) . . ?
O12 Dy3 O15 141.7(2) . . ?
O12 Dy3 O30 76.9(2) . . ?
O12 Dy3 O32 115.7(2) . . ?
O12 Dy3 N16 72.2(3) . . ?
O12 Dy3 N18 133.2(3) . . ?
O13 Dy3 Dy2 73.13(17) . . ?
O13 Dy3 Dy4 41.48(17) . . ?
O13 Dy3 Dy7 41.67(19) . . ?
O13 Dy3 O2 78.5(2) . . ?
O13 Dy3 O12 70.6(2) . . ?
O13 Dy3 O14 60.4(3) . . ?
O13 Dy3 O15 75.4(3) . . ?
O13 Dy3 O30 138.4(2) . . ?
O13 Dy3 O32 124.8(2) . . ?
O13 Dy3 N16 122.9(3) . . ?
O13 Dy3 N18 149.7(3) . . ?
O14 Dy3 Dy2 103.71(18) . . ?
O14 Dy3 Dy4 39.75(17) . . ?
O14 Dy3 Dy7 41.60(18) . . ?
O14 Dy3 O30 86.1(2) . . ?
O14 Dy3 O32 69.3(2) . . ?
O14 Dy3 N16 140.2(3) . . ?
O14 Dy3 N18 136.1(3) . . ?
O15 Dy3 Dy2 34.80(17) . . ?
O15 Dy3 Dy4 101.47(16) . . ?
O15 Dy3 Dy7 42.77(16) . . ?
O15 Dy3 O2 69.8(2) . . ?
O15 Dy3 O14 75.2(2) . . ?
O15 Dy3 O30 121.7(2) . . ?
O15 Dy3 O32 71.1(2) . . ?
O15 Dy3 N16 143.9(2) . . ?
O15 Dy3 N18 84.9(3) . . ?
O30 Dy3 Dy2 143.62(17) . . ?
O30 Dy3 Dy4 97.07(16) . . ?
O30 Dy3 Dy7 123.80(16) . . ?
O30 Dy3 O32 50.8(2) . . ?
O30 Dy3 N16 67.6(2) . . ?
O30 Dy3 N18 71.7(2) . . ?
O32 Dy3 Dy2 99.52(17) . . ?
O32 Dy3 Dy4 105.78(17) . . ?
O32 Dy3 Dy7 85.38(16) . . ?
N16 Dy3 Dy2 115.25(19) . . ?
N16 Dy3 Dy4 112.25(19) . . ?
N16 Dy3 Dy7 164.50(19) . . ?
N16 Dy3 O32 109.9(2) . . ?
N16 Dy3 N18 64.2(3) . . ?
N18 Dy3 Dy2 77.52(19) . . ?
N18 Dy3 Dy4 168.79(19) . . ?
N18 Dy3 Dy7 127.2(2) . . ?
N18 Dy3 O32 67.3(3) . . ?
Dy7 Dy4 Dy3 60.43(2) . . ?
O9 Dy4 Dy3 134.07(17) . . ?
O9 Dy4 Dy7 93.33(17) . . ?
O9 Dy4 O10 62.1(2) . . ?
O9 Dy4 O11 97.7(2) . . ?
O9 Dy4 O12 141.3(2) . . ?
O9 Dy4 O13 136.0(2) . . ?
O9 Dy4 O20 70.3(2) . . ?
O9 Dy4 O21 71.9(2) . . ?
O9 Dy4 O22 122.9(2) . . ?
O9 Dy4 N19 97.2(3) . . ?
O10 Dy4 Dy3 91.31(15) . . ?
O10 Dy4 Dy7 111.31(16) . . ?
O10 Dy4 N19 129.6(3) . . ?
O11 Dy4 Dy3 107.31(16) . . ?
O11 Dy4 Dy7 167.51(16) . . ?
O11 Dy4 O10 69.3(2) . . ?
O11 Dy4 O21 70.3(2) . . ?
O11 Dy4 N19 68.9(3) . . ?
O12 Dy4 Dy3 41.10(17) . . ?
O12 Dy4 Dy7 101.37(17) . . ?
O12 Dy4 O10 79.2(2) . . ?
O12 Dy4 O11 66.3(2) . . ?
O12 Dy4 O13 69.6(2) . . ?
O12 Dy4 O21 127.3(2) . . ?
O12 Dy4 O22 88.4(3) . . ?
O12 Dy4 N19 108.0(3) . . ?
O13 Dy4 Dy3 39.68(16) . . ?
O13 Dy4 Dy7 43.04(18) . . ?
O13 Dy4 O10 129.3(2) . . ?
O13 Dy4 O11 126.3(2) . . ?
O13 Dy4 O21 118.8(2) . . ?
O13 Dy4 O22 74.3(3) . . ?
O13 Dy4 N19 98.2(3) . . ?
O14 Dy4 Dy3 43.00(17) . . ?
O14 Dy4 Dy7 42.33(19) . . ?
O14 Dy4 O9 91.7(2) . . ?
O14 Dy4 O10 73.3(3) . . ?
O14 Dy4 O11 131.0(2) . . ?
O14 Dy4 O12 76.6(2) . . ?
O14 Dy4 O13 61.4(3) . . ?
O14 Dy4 O20 81.6(3) . . ?
O14 Dy4 O21 155.8(2) . . ?
O14 Dy4 O22 135.7(3) . . ?
O14 Dy4 N19 156.9(3) . . ?
O20 Dy4 Dy3 102.78(17) . . ?
O20 Dy4 Dy7 43.91(18) . . ?
O20 Dy4 O10 124.5(2) . . ?
O20 Dy4 O11 146.6(2) . . ?
O20 Dy4 O12 141.0(2) . . ?
O20 Dy4 O13 71.6(2) . . ?
O20 Dy4 O21 76.3(2) . . ?
O20 Dy4 O22 85.2(3) . . ?
O20 Dy4 N19 81.4(3) . . ?
O21 Dy4 Dy3 152.83(17) . . ?
O21 Dy4 Dy7 119.09(17) . . ?
O21 Dy4 O10 111.8(2) . . ?
O21 Dy4 N19 25.5(2) . . ?
O22 Dy4 Dy3 100.75(18) . . ?
O22 Dy4 Dy7 103.46(19) . . ?
O22 Dy4 O10 144.7(3) . . ?
O22 Dy4 O11 75.4(3) . . ?
O22 Dy4 O21 52.1(2) . . ?
O22 Dy4 N19 26.7(3) . . ?
N19 Dy4 Dy3 127.4(2) . . ?
N19 Dy4 Dy7 115.5(2) . . ?
Dy4 Dy5 Dy6 108.604(17) . . ?
Dy4 Dy5 Dy7 54.004(19) . . ?
Dy6 Dy5 Dy7 54.60(2) . . ?
O8 Dy5 Dy4 129.70(19) . . ?
O8 Dy5 Dy6 36.31(19) . . ?
O8 Dy5 Dy7 82.28(18) . . ?
O8 Dy5 O9 165.0(2) . . ?
O8 Dy5 O19 71.5(3) . . ?
O8 Dy5 N10 70.2(3) . . ?
O8 Dy5 N12 115.8(3) . . ?
O8 Dy5 N13 122.9(3) . . ?
O8 Dy5 N15 76.0(3) . . ?
O9 Dy5 Dy4 35.38(16) . . ?
O9 Dy5 Dy6 134.48(16) . . ?
O9 Dy5 Dy7 83.89(16) . . ?
O9 Dy5 O19 100.4(2) . . ?
O9 Dy5 N10 124.7(3) . . ?
O9 Dy5 N12 74.4(3) . . ?
O9 Dy5 N13 68.7(3) . . ?
O9 Dy5 N15 105.1(3) . . ?
O19 Dy5 Dy4 83.33(18) . . ?
O19 Dy5 Dy6 35.16(19) . . ?
O19 Dy5 Dy7 36.71(19) . . ?
O19 Dy5 N10 107.2(3) . . ?
O19 Dy5 N12 82.5(3) . . ?
O19 Dy5 N13 159.0(3) . . ?
O19 Dy5 N15 139.2(3) . . ?
O20 Dy5 Dy4 35.23(17) . . ?
O20 Dy5 Dy6 82.73(18) . . ?
O20 Dy5 Dy7 36.23(18) . . ?
O20 Dy5 O8 94.9(3) . . ?
O20 Dy5 O9 70.4(2) . . ?
O20 Dy5 O19 72.9(3) . . ?
O20 Dy5 N10 163.6(3) . . ?
O20 Dy5 N12 131.9(3) . . ?
O20 Dy5 N13 117.1(3) . . ?
O20 Dy5 N15 86.3(3) . . ?
N10 Dy5 Dy4 160.0(2) . . ?
N10 Dy5 Dy6 88.6(2) . . ?
N10 Dy5 Dy7 141.8(2) . . ?
N10 Dy5 N13 68.6(3) . . ?
N10 Dy5 N15 83.5(3) . . ?
N12 Dy5 Dy4 102.6(2) . . ?
N12 Dy5 Dy6 100.3(2) . . ?
N12 Dy5 Dy7 109.3(2) . . ?
N12 Dy5 N10 63.3(3) . . ?
N12 Dy5 N13 77.3(3) . . ?
N12 Dy5 N15 134.7(3) . . ?
N13 Dy5 Dy4 95.4(2) . . ?
N13 Dy5 Dy6 155.8(2) . . ?
N13 Dy5 Dy7 149.2(2) . . ?
N13 Dy5 N15 61.7(3) . . ?
N15 Dy5 Dy4 99.6(2) . . ?
N15 Dy5 Dy6 109.2(2) . . ?
N15 Dy5 Dy7 115.7(2) . . ?
Dy1 Dy6 Dy5 113.06(3) . . ?
Dy7 Dy6 Dy1 58.90(2) . . ?
Dy7 Dy6 Dy5 63.212(16) . . ?
O6 Dy6 Dy1 40.1(2) . . ?
O6 Dy6 Dy5 139.3(2) . . ?
O6 Dy6 Dy7 98.8(2) . . ?
O6 Dy6 O8 116.3(3) . . ?
O6 Dy6 O17 72.5(3) . . ?
O6 Dy6 O19 142.1(3) . . ?
O6 Dy6 O24 78.9(4) . . ?
O6 Dy6 O25 115.3(3) . . ?
O6 Dy6 N7 73.6(4) . . ?
O6 Dy6 N9 134.3(4) . . ?
O8 Dy6 Dy1 114.9(2) . . ?
O8 Dy6 Dy5 35.32(18) . . ?
O8 Dy6 Dy7 89.30(18) . . ?
O8 Dy6 O17 130.2(3) . . ?
O8 Dy6 O24 142.2(3) . . ?
O8 Dy6 O25 128.3(3) . . ?
O8 Dy6 N7 81.3(3) . . ?
O8 Dy6 N9 74.7(3) . . ?
O17 Dy6 Dy1 39.8(2) . . ?
O17 Dy6 Dy5 104.40(18) . . ?
O17 Dy6 Dy7 42.04(18) . . ?
O17 Dy6 O24 86.6(3) . . ?
O17 Dy6 O25 69.6(3) . . ?
O17 Dy6 N7 141.7(3) . . ?
O17 Dy6 N9 136.5(4) . . ?
O18 Dy6 Dy1 41.32(19) . . ?
O18 Dy6 Dy5 73.40(19) . . ?
O18 Dy6 Dy7 42.2(2) . . ?
O18 Dy6 O6 70.1(3) . . ?
O18 Dy6 O8 76.1(3) . . ?
O18 Dy6 O17 60.8(3) . . ?
O18 Dy6 O19 76.5(3) . . ?
O18 Dy6 O24 140.0(3) . . ?
O18 Dy6 O25 125.7(3) . . ?
O18 Dy6 N7 121.7(4) . . ?
O18 Dy6 N9 148.7(3) . . ?
O19 Dy6 Dy1 102.18(19) . . ?
O19 Dy6 Dy5 35.14(19) . . ?
O19 Dy6 Dy7 43.30(19) . . ?
O19 Dy6 O8 70.5(3) . . ?
O19 Dy6 O17 76.0(3) . . ?
O19 Dy6 O24 119.9(4) . . ?
O19 Dy6 O25 71.3(3) . . ?
O19 Dy6 N7 141.8(3) . . ?
O19 Dy6 N9 83.5(4) . . ?
O24 Dy6 Dy1 98.9(3) . . ?
O24 Dy6 Dy5 141.8(3) . . ?
O24 Dy6 Dy7 124.0(3) . . ?
O24 Dy6 O25 48.8(4) . . ?
O24 Dy6 N7 69.8(4) . . ?
O24 Dy6 N9 71.1(4) . . ?
O25 Dy6 Dy1 106.1(2) . . ?
O25 Dy6 Dy5 100.3(3) . . ?
O25 Dy6 Dy7 86.0(2) . . ?
N7 Dy6 Dy1 113.0(3) . . ?
N7 Dy6 Dy5 112.8(3) . . ?
N7 Dy6 Dy7 163.5(3) . . ?
N7 Dy6 O25 110.5(4) . . ?
N7 Dy6 N9 64.2(4) . . ?
N9 Dy6 Dy1 169.9(3) . . ?
N9 Dy6 Dy5 76.4(3) . . ?
N9 Dy6 Dy7 126.4(3) . . ?
N9 Dy6 O25 67.5(4) . . ?
Dy1 Dy7 Dy3 124.33(2) . . ?
Dy1 Dy7 Dy4 149.08(3) . . ?
Dy1 Dy7 Dy6 60.82(2) . . ?
Dy4 Dy7 Dy3 60.857(16) . . ?
Dy4 Dy7 Dy6 124.23(2) . . ?
Dy6 Dy7 Dy3 163.61(3) . . ?
O13 Dy7 Dy1 117.67(17) . . ?
O13 Dy7 Dy3 39.94(16) . . ?
O13 Dy7 Dy4 43.12(16) . . ?
O13 Dy7 Dy6 155.38(16) . . ?
O13 Dy7 O15 72.9(2) . . ?
O13 Dy7 O16 75.7(3) . . ?
O13 Dy7 O18 119.3(3) . . ?
O13 Dy7 O19 132.4(2) . . ?
O13 Dy7 O20 70.1(2) . . ?
O14 Dy7 Dy1 164.85(17) . . ?
O14 Dy7 Dy3 43.46(17) . . ?
O14 Dy7 Dy4 40.86(18) . . ?
O14 Dy7 Dy6 127.88(17) . . ?
O14 Dy7 O13 60.5(2) . . ?
O14 Dy7 O15 75.8(2) . . ?
O14 Dy7 O16 129.7(2) . . ?
O14 Dy7 O17 133.9(3) . . ?
O14 Dy7 O18 152.4(3) . . ?
O14 Dy7 O19 87.3(3) . . ?
O14 Dy7 O20 78.3(2) . . ?
O15 Dy7 Dy1 89.21(16) . . ?
O15 Dy7 Dy3 41.64(16) . . ?
O15 Dy7 Dy4 102.48(16) . . ?
O15 Dy7 Dy6 129.80(17) . . ?
O15 Dy7 O19 135.6(3) . . ?
O15 Dy7 O20 141.9(2) . . ?
O16 Dy7 Dy1 42.79(18) . . ?
O16 Dy7 Dy3 87.19(17) . . ?
O16 Dy7 Dy4 115.50(19) . . ?
O16 Dy7 Dy6 102.25(18) . . ?
O16 Dy7 O15 68.4(2) . . ?
O16 Dy7 O19 142.8(3) . . ?
O16 Dy7 O20 110.0(3) . . ?
O17 Dy7 Dy1 40.7(2) . . ?
O17 Dy7 Dy3 127.51(18) . . ?
O17 Dy7 Dy4 165.2(2) . . ?
O17 Dy7 Dy6 43.92(18) . . ?
O17 Dy7 O13 151.6(3) . . ?
O17 Dy7 O15 86.7(2) . . ?
O17 Dy7 O16 78.6(3) . . ?
O17 Dy7 O18 61.1(3) . . ?
O17 Dy7 O19 75.9(3) . . ?
O17 Dy7 O20 131.2(2) . . ?
O18 Dy7 Dy1 42.75(18) . . ?
O18 Dy7 Dy3 154.6(2) . . ?
O18 Dy7 Dy4 117.49(19) . . ?
O18 Dy7 Dy6 40.8(2) . . ?
O18 Dy7 O15 131.7(2) . . ?
O18 Dy7 O16 70.5(3) . . ?
O18 Dy7 O19 73.6(3) . . ?
O18 Dy7 O20 76.4(2) . . ?
O19 Dy7 Dy1 102.16(19) . . ?
O19 Dy7 Dy3 129.96(19) . . ?
O19 Dy7 Dy4 89.43(19) . . ?
O19 Dy7 Dy6 41.36(19) . . ?
O20 Dy7 Dy1 115.91(17) . . ?
O20 Dy7 Dy3 101.22(17) . . ?
O20 Dy7 Dy4 41.87(16) . . ?
O20 Dy7 Dy6 88.23(17) . . ?
O20 Dy7 O19 69.6(3) . . ?
C2 O1 C1 115.7(8) . . ?
Dy2 O2 Dy3 109.0(3) . . ?
C8 O2 Dy2 127.9(6) . . ?
C8 O2 Dy3 121.6(6) . . ?
Dy1 O3 Dy2 110.2(3) . . ?
C21 O3 Dy1 119.4(6) . . ?
C21 O3 Dy2 130.4(6) . . ?
C15 O4 Dy1 126.4(7) . . ?
C16 O4 Dy1 110.3(7) . . ?
C16 O4 C15 116.5(9) . . ?
C26 O5 Dy1 125.2(9) . . ?
C27 O5 Dy1 116.0(9) . . ?
C27 O5 C26 118.7(11) . . ?
Dy1 O6 Dy6 99.3(3) . . ?
C32 O6 Dy1 124.5(9) . . ?
C32 O6 Dy6 135.3(9) . . ?
C40 O7 C39 116.1(9) . . ?
Dy5 O8 Dy6 108.4(3) . . ?
C45 O8 Dy5 127.5(7) . . ?
C45 O8 Dy6 122.8(7) . . ?
Dy4 O9 Dy5 109.1(3) . . ?
C58 O9 Dy4 121.9(6) . . ?
C58 O9 Dy5 128.8(6) . . ?
C52 O10 Dy4 126.8(6) . . ?
C53 O10 Dy4 113.7(6) . . ?
C53 O10 C52 114.9(8) . . ?
C64 O11 Dy4 125.9(6) . . ?
C64 O11 C65 115.8(8) . . ?
C65 O11 Dy4 118.0(6) . . ?
Dy4 O12 Dy3 98.5(3) . . ?
C70 O12 Dy3 139.0(6) . . ?
C70 O12 Dy4 122.2(6) . . ?
Dy3 O13 Dy4 98.8(3) . . ?
Dy3 O13 Dy7 98.4(3) . . ?
Dy7 O13 Dy4 93.8(2) . . ?
Dy4 O14 Dy3 97.2(3) . . ?
Dy4 O14 Dy7 96.8(3) . . ?
Dy7 O14 Dy3 94.9(3) . . ?
Dy2 O15 Dy3 109.8(3) . . ?
Dy2 O15 Dy7 109.1(3) . . ?
Dy3 O15 Dy7 95.6(2) . . ?
Dy1 O16 Dy7 93.5(3) . . ?
Dy2 O16 Dy1 109.2(3) . . ?
Dy2 O16 Dy7 110.6(3) . . ?
Dy1 O17 Dy6 96.9(3) . . ?
Dy1 O17 Dy7 96.7(3) . . ?
Dy7 O17 Dy6 94.0(3) . . ?
Dy1 O18 Dy7 94.0(3) . . ?
Dy6 O18 Dy1 98.3(3) . . ?
Dy6 O18 Dy7 97.1(3) . . ?
Dy5 O19 Dy6 109.7(3) . . ?
Dy5 O19 Dy7 108.2(3) . . ?
Dy6 O19 Dy7 95.3(3) . . ?
Dy4 O20 Dy7 94.2(2) . . ?
Dy5 O20 Dy4 109.7(3) . . ?
Dy5 O20 Dy7 109.3(3) . . ?
N19 O21 Dy4 94.2(6) . . ?
N19 O22 Dy4 95.8(6) . . ?
N21 O24 Dy6 102.3(11) . . ?
N21 O25 Dy6 93.8(10) . . ?
N20 O27 Dy1 98.8(9) . . ?
N20 O28 Dy1 93.1(10) . . ?
N22 O30 Dy3 98.5(6) . . ?
N22 O32 Dy3 93.1(6) . . ?
N2 N1 Dy2 114.9(6) . . ?
C9 N1 Dy2 127.3(7) . . ?
C9 N1 N2 116.8(9) . . ?
N1 N2 H2 122.3 . . ?
C10 N2 N1 115.3(9) . . ?
C10 N2 H2 122.3 . . ?
C10 N3 Dy2 118.6(7) . . ?
C14 N3 Dy2 123.4(7) . . ?
C14 N3 C10 117.7(10) . . ?
N5 N4 Dy2 114.2(7) . . ?
C22 N4 Dy2 130.2(8) . . ?
C22 N4 N5 115.3(10) . . ?
N4 N5 H5 121.8 . . ?
C23 N5 N4 116.5(10) . . ?
C23 N5 H5 121.8 . . ?
C23 N6 Dy2 119.2(8) . . ?
C25 N6 Dy2 123.1(8) . . ?
C25 N6 C23 117.7(11) . . ?
N8 N7 Dy6 113.9(9) . . ?
C33 N7 Dy6 130.8(12) . . ?
C33 N7 N8 115.3(13) . . ?
N7 N8 H8 118.5 . . ?
C34 N8 N7 123.1(13) . . ?
C34 N8 H8 118.5 . . ?
C34 N9 Dy6 120.5(13) . . ?
C34 N9 C38 114.0(15) . . ?
C38 N9 Dy6 125.3(10) . . ?
N11 N10 Dy5 114.1(7) . . ?
C46 N10 Dy5 127.9(9) . . ?
C46 N10 N11 116.4(10) . . ?
N10 N11 H11 120.2 . . ?
C47 N11 N10 119.7(10) . . ?
C47 N11 H11 120.2 . . ?
C47 N12 Dy5 118.4(8) . . ?
C47 N12 C51 115.8(11) . . ?
C51 N12 Dy5 124.3(7) . . ?
N14 N13 Dy5 113.8(7) . . ?
C59 N13 Dy5 128.3(7) . . ?
C59 N13 N14 116.3(9) . . ?
N13 N14 H14 121.3 . . ?
N13 N14 C60 117.3(10) . . ?
C60 N14 H14 121.3 . . ?
C60 N15 Dy5 118.4(8) . . ?
C77 N15 Dy5 124.0(9) . . ?
C77 N15 C60 115.9(12) . . ?
N17 N16 Dy3 115.1(6) . . ?
C71 N16 Dy3 131.1(7) . . ?
C71 N16 N17 113.7(9) . . ?
N16 N17 H17 119.2 . . ?
C72 N17 N16 121.6(9) . . ?
C72 N17 H17 119.2 . . ?
C72 N18 Dy3 117.2(7) . . ?
C72 N18 C76 116.9(9) . . ?
C76 N18 Dy3 125.7(7) . . ?
O21 N19 Dy4 60.3(5) . . ?
O21 N19 O22 117.4(9) . . ?
O22 N19 Dy4 57.5(5) . . ?
O23 N19 Dy4 174.0(10) . . ?
O23 N19 O21 123.0(10) . . ?
O23 N19 O22 119.6(10) . . ?
O27 N20 Dy1 56.0(8) . . ?
O27 N20 O28 117.1(15) . . ?
O28 N20 Dy1 61.2(8) . . ?
O29 N20 Dy1 176.6(12) . . ?
O29 N20 O27 122.6(15) . . ?
O29 N20 O28 120.3(16) . . ?
O24 N21 O25 114.8(16) . . ?
O24 N21 O26 126.7(16) . . ?
O25 N21 O26 117.4(16) . . ?
O31 N22 O30 121.2(9) . . ?
O31 N22 O32 121.6(9) . . ?
O32 N22 O30 117.2(9) . . ?
O36 N24 O37 117.8(12) . . ?
O36 N24 O38 122.1(12) . . ?
O38 N24 O37 120.1(12) . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O1 C2 C3 125.4(10) . . ?
O1 C2 C8 113.9(9) . . ?
C3 C2 C8 120.5(10) . . ?
C2 C3 H3 120.4 . . ?
C2 C3 C4 119.3(11) . . ?
C4 C3 H3 120.4 . . ?
C3 C4 H4 119.5 . . ?
C5 C4 C3 121.0(11) . . ?
C5 C4 H4 119.5 . . ?
C4 C5 H5A 119.0 . . ?
C4 C5 C7 122.0(11) . . ?
C7 C5 H5A 119.0 . . ?
C25 C6 H6 120.5 . . ?
C78 C6 H6 120.5 . . ?
C78 C6 C25 118.9(14) . . ?
C5 C7 C8 119.5(11) . . ?
C5 C7 C9 118.3(10) . . ?
C9 C7 C8 122.1(10) . . ?
O2 C8 C2 118.1(9) . . ?
O2 C8 C7 124.3(10) . . ?
C7 C8 C2 117.6(10) . . ?
N1 C9 C7 127.6(10) . . ?
N1 C9 H9 116.2 . . ?
C7 C9 H9 116.2 . . ?
N2 C10 C11 119.6(10) . . ?
N3 C10 N2 118.4(10) . . ?
N3 C10 C11 122.0(11) . . ?
C10 C11 H11A 121.0 . . ?
C12 C11 C10 118.0(11) . . ?
C12 C11 H11A 121.0 . . ?
C11 C12 H12 119.9 . . ?
C11 C12 C13 120.2(12) . . ?
C13 C12 H12 119.9 . . ?
C12 C13 H13 121.8 . . ?
C14 C13 C12 116.5(12) . . ?
C14 C13 H13 121.8 . . ?
N3 C14 C13 125.4(11) . . ?
N3 C14 H14A 117.3 . . ?
C13 C14 H14A 117.3 . . ?
O4 C15 H15A 109.5 . . ?
O4 C15 H15B 109.5 . . ?
O4 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O4 C16 C21 113.4(9) . . ?
C17 C16 O4 125.5(11) . . ?
C17 C16 C21 121.0(10) . . ?
C16 C17 H17A 120.1 . . ?
C16 C17 C18 119.7(12) . . ?
C18 C17 H17A 120.1 . . ?
C17 C18 H18 120.9 . . ?
C19 C18 C17 118.2(11) . . ?
C19 C18 H18 120.9 . . ?
C18 C19 H19 118.8 . . ?
C20 C19 C18 122.5(11) . . ?
C20 C19 H19 118.8 . . ?
C19 C20 C21 119.9(11) . . ?
C19 C20 C22 116.7(11) . . ?
C21 C20 C22 122.3(11) . . ?
O3 C21 C16 117.4(9) . . ?
O3 C21 C20 123.9(10) . . ?
C20 C21 C16 118.6(10) . . ?
N4 C22 C20 123.1(11) . . ?
N4 C22 H22 118.5 . . ?
C20 C22 H22 118.5 . . ?
N5 C23 N6 117.6(11) . . ?
N5 C23 C24 119.4(12) . . ?
N6 C23 C24 122.9(13) . . ?
C23 C24 H24 120.2 . . ?
C23 C24 C78 119.5(14) . . ?
C78 C24 H24 120.2 . . ?
N6 C25 C6 123.4(13) . . ?
N6 C25 H25 118.3 . . ?
C6 C25 H25 118.3 . . ?
O5 C26 H26A 109.5 . . ?
O5 C26 H26B 109.5 . . ?
O5 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
O5 C27 C32 117.8(12) . . ?
C28 C27 O5 122.5(16) . . ?
C28 C27 C32 119.6(16) . . ?
C27 C28 H28 121.2 . . ?
C27 C28 C29 117.6(19) . . ?
C29 C28 H28 121.2 . . ?
C28 C29 H29 119.0 . . ?
C30 C29 C28 121.9(18) . . ?
C30 C29 H29 119.0 . . ?
C29 C30 H30 119.2 . . ?
C29 C30 C31 121.6(17) . . ?
C31 C30 H30 119.2 . . ?
C30 C31 C32 116.6(16) . . ?
C30 C31 C33 118.0(15) . . ?
C33 C31 C32 125.0(14) . . ?
O6 C32 C27 113.3(12) . . ?
O6 C32 C31 125.1(14) . . ?
C31 C32 C27 121.5(13) . . ?
N7 C33 C31 129.7(16) . . ?
N7 C33 H33 115.2 . . ?
C31 C33 H33 115.2 . . ?
N8 C34 C35 118.8(15) . . ?
N9 C34 N8 115.8(16) . . ?
N9 C34 C35 125.4(18) . . ?
C34 C35 H35 121.5 . . ?
C36 C35 C34 116.9(17) . . ?
C36 C35 H35 121.5 . . ?
C35 C36 H36 120.6 . . ?
C35 C36 C37 119(2) . . ?
C37 C36 H36 120.6 . . ?
C36 C37 H37 119.5 . . ?
C36 C37 C38 121(2) . . ?
C38 C37 H37 119.5 . . ?
N9 C38 C37 123.5(17) . . ?
N9 C38 H38 118.2 . . ?
C37 C38 H38 118.2 . . ?
O7 C39 H39A 109.5 . . ?
O7 C39 H39B 109.5 . . ?
O7 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
O7 C40 C45 112.3(10) . . ?
C41 C40 O7 126.3(12) . . ?
C41 C40 C45 121.3(12) . . ?
C40 C41 H41 120.2 . . ?
C40 C41 C42 119.5(15) . . ?
C42 C41 H41 120.2 . . ?
C41 C42 H42 119.4 . . ?
C43 C42 C41 121.2(14) . . ?
C43 C42 H42 119.4 . . ?
C42 C43 H43 119.1 . . ?
C42 C43 C44 121.8(15) . . ?
C44 C43 H43 119.1 . . ?
C43 C44 C45 117.9(13) . . ?
C43 C44 C46 117.7(13) . . ?
C46 C44 C45 124.3(11) . . ?
O8 C45 C40 120.3(10) . . ?
O8 C45 C44 121.8(11) . . ?
C40 C45 C44 117.9(11) . . ?
N10 C46 C44 124.7(12) . . ?
N10 C46 H46 117.7 . . ?
C44 C46 H46 117.7 . . ?
N11 C47 N12 116.2(11) . . ?
N11 C47 C48 123.1(11) . . ?
N12 C47 C48 120.6(12) . . ?
C47 C48 H48 120.1 . . ?
C49 C48 C47 119.7(13) . . ?
C49 C48 H48 120.1 . . ?
C48 C49 H49 119.0 . . ?
C48 C49 C50 122.0(14) . . ?
C50 C49 H49 119.0 . . ?
C49 C50 H50 121.8 . . ?
C49 C50 C51 116.4(14) . . ?
C51 C50 H50 121.8 . . ?
N12 C51 C50 125.1(12) . . ?
N12 C51 H51 117.4 . . ?
C50 C51 H51 117.4 . . ?
O10 C52 H52A 109.5 . . ?
O10 C52 H52B 109.5 . . ?
O10 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
O10 C53 C58 111.8(8) . . ?
C54 C53 O10 126.2(9) . . ?
C54 C53 C58 121.9(9) . . ?
C53 C54 H54 120.0 . . ?
C55 C54 C53 119.9(10) . . ?
C55 C54 H54 120.0 . . ?
C54 C55 H55 120.4 . . ?
C56 C55 C54 119.1(11) . . ?
C56 C55 H55 120.4 . . ?
C55 C56 H56 119.1 . . ?
C55 C56 C57 121.9(10) . . ?
C57 C56 H56 119.1 . . ?
C56 C57 C59 117.0(9) . . ?
C58 C57 C56 119.3(9) . . ?
C58 C57 C59 123.2(10) . . ?
O9 C58 C53 118.1(9) . . ?
O9 C58 C57 124.0(9) . . ?
C57 C58 C53 117.6(9) . . ?
N13 C59 C57 123.2(10) . . ?
N13 C59 H59 118.4 . . ?
C57 C59 H59 118.4 . . ?
N15 C60 N14 114.6(11) . . ?
N15 C60 C61 125.6(13) . . ?
C61 C60 N14 119.6(13) . . ?
C60 C61 H61 121.3 . . ?
C60 C61 C62 117.4(16) . . ?
C62 C61 H61 121.3 . . ?
C61 C62 H62 120.7 . . ?
C61 C62 C63 118.7(17) . . ?
C63 C62 H62 120.7 . . ?
C62 C63 H63 120.4 . . ?
C77 C63 C62 119.1(17) . . ?
C77 C63 H63 120.4 . . ?
O11 C64 H64A 109.5 . . ?
O11 C64 H64B 109.5 . . ?
O11 C64 H64C 109.5 . . ?
H64A C64 H64B 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C66 C65 O11 123.4(10) . . ?
C66 C65 C70 123.3(10) . . ?
C70 C65 O11 113.2(9) . . ?
C65 C66 H66 120.1 . . ?
C65 C66 C67 119.7(11) . . ?
C67 C66 H66 120.1 . . ?
C66 C67 H67 120.3 . . ?
C68 C67 C66 119.5(11) . . ?
C68 C67 H67 120.3 . . ?
C67 C68 H68 119.0 . . ?
C67 C68 C69 121.9(10) . . ?
C69 C68 H68 119.0 . . ?
C68 C69 C71 116.6(10) . . ?
C70 C69 C68 118.2(10) . . ?
C70 C69 C71 125.2(10) . . ?
O12 C70 C65 119.2(9) . . ?
O12 C70 C69 123.5(9) . . ?
C69 C70 C65 117.3(10) . . ?
N16 C71 C69 128.9(10) . . ?
N16 C71 H71 115.5 . . ?
C69 C71 H71 115.5 . . ?
N17 C72 C73 119.0(10) . . ?
N18 C72 N17 118.3(9) . . ?
N18 C72 C73 122.7(10) . . ?
C72 C73 H73 120.4 . . ?
C74 C73 C72 119.2(11) . . ?
C74 C73 H73 120.4 . . ?
C73 C74 H74 120.2 . . ?
C73 C74 C75 119.5(11) . . ?
C75 C74 H74 120.2 . . ?
C74 C75 H75 120.8 . . ?
C76 C75 C74 118.5(11) . . ?
C76 C75 H75 120.8 . . ?
N18 C76 H76 118.4 . . ?
C75 C76 N18 123.1(11) . . ?
C75 C76 H76 118.4 . . ?
N15 C77 C63 122.9(17) . . ?
N15 C77 H77 118.5 . . ?
C63 C77 H77 118.5 . . ?
C6 C78 C24 117.5(14) . . ?
C6 C78 H78 121.3 . . ?
C24 C78 H78 121.3 . . ?
O1B N1B O1A 104(3) . . ?
O1B N1B O1C 147(4) . . ?
O1C N1B O1A 109(3) . . ?
O1D N1A O1F 117.2(12) . . ?
O1E N1A O1D 121.1(14) . . ?
O1E N1A O1F 120.3(13) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O3 C21 C16 36.0(12) . . . . ?
Dy1 O3 C21 C20 -140.2(9) . . . . ?
Dy1 O4 C16 C17 150.8(10) . . . . ?
Dy1 O4 C16 C21 -27.2(11) . . . . ?
Dy1 O5 C27 C28 -166.6(15) . . . . ?
Dy1 O5 C27 C32 13.3(17) . . . . ?
Dy1 O6 C32 C27 -13.4(16) . . . . ?
Dy1 O6 C32 C31 163.6(11) . . . . ?
Dy1 O27 N20 O28 -3.9(14) . . . . ?
Dy1 O27 N20 O29 176.2(13) . . . . ?
Dy1 O28 N20 O27 3.7(13) . . . . ?
Dy1 O28 N20 O29 -176.4(13) . . . . ?
Dy2 O2 C8 C2 -135.0(8) . . . . ?
Dy2 O2 C8 C7 45.2(13) . . . . ?
Dy2 O3 C21 C16 -145.9(8) . . . . ?
Dy2 O3 C21 C20 37.9(15) . . . . ?
Dy2 N1 N2 C10 34.4(11) . . . . ?
Dy2 N1 C9 C7 -15.0(15) . . . . ?
Dy2 N3 C10 N2 -6.0(12) . . . . ?
Dy2 N3 C10 C11 173.5(8) . . . . ?
Dy2 N3 C14 C13 -176.3(9) . . . . ?
Dy2 N4 N5 C23 35.5(12) . . . . ?
Dy2 N4 C22 C20 -17.6(16) . . . . ?
Dy2 N6 C23 N5 -0.7(14) . . . . ?
Dy2 N6 C23 C24 176.5(10) . . . . ?
Dy2 N6 C25 C6 -177.6(9) . . . . ?
Dy3 O2 C8 C2 60.5(11) . . . . ?
Dy3 O2 C8 C7 -119.4(9) . . . . ?
Dy3 O12 C70 C65 -179.9(7) . . . . ?
Dy3 O12 C70 C69 -2.2(16) . . . . ?
Dy3 O30 N22 O31 -173.1(9) . . . . ?
Dy3 O30 N22 O32 7.1(9) . . . . ?
Dy3 O32 N22 O30 -6.7(9) . . . . ?
Dy3 O32 N22 O31 173.5(9) . . . . ?
Dy3 N16 N17 C72 18.8(11) . . . . ?
Dy3 N16 C71 C69 0.5(16) . . . . ?
Dy3 N18 C72 N17 -10.2(11) . . . . ?
Dy3 N18 C72 C73 172.0(7) . . . . ?
Dy3 N18 C76 C75 -172.0(8) . . . . ?
Dy4 O9 C58 C53 27.4(13) . . . . ?
Dy4 O9 C58 C57 -146.0(8) . . . . ?
Dy4 O10 C53 C54 156.0(10) . . . . ?
Dy4 O10 C53 C58 -26.9(11) . . . . ?
Dy4 O11 C65 C66 -173.7(8) . . . . ?
Dy4 O11 C65 C70 7.7(11) . . . . ?
Dy4 O12 C70 C65 -8.6(12) . . . . ?
Dy4 O12 C70 C69 169.1(7) . . . . ?
Dy4 O21 N19 O22 -7.3(10) . . . . ?
Dy4 O21 N19 O23 174.1(12) . . . . ?
Dy4 O22 N19 O21 7.5(11) . . . . ?
Dy4 O22 N19 O23 -173.9(11) . . . . ?
Dy5 O8 C45 C40 -134.7(10) . . . . ?
Dy5 O8 C45 C44 44.1(16) . . . . ?
Dy5 O9 C58 C53 -146.2(8) . . . . ?
Dy5 O9 C58 C57 40.4(14) . . . . ?
Dy5 N10 N11 C47 28.7(14) . . . . ?
Dy5 N10 C46 C44 -15(2) . . . . ?
Dy5 N12 C47 N11 -14.7(14) . . . . ?
Dy5 N12 C47 C48 162.2(10) . . . . ?
Dy5 N12 C51 C50 -162.7(11) . . . . ?
Dy5 N13 N14 C60 38.9(12) . . . . ?
Dy5 N13 C59 C57 -23.6(16) . . . . ?
Dy5 N15 C60 N14 -16.4(14) . . . . ?
Dy5 N15 C60 C61 158.8(11) . . . . ?
Dy5 N15 C77 C63 -162.9(13) . . . . ?
Dy6 O6 C32 C27 -179.6(9) . . . . ?
Dy6 O6 C32 C31 -3(2) . . . . ?
Dy6 O8 C45 C40 60.0(14) . . . . ?
Dy6 O8 C45 C44 -121.2(11) . . . . ?
Dy6 O24 N21 O25 5.8(15) . . . . ?
Dy6 O24 N21 O26 -162.1(14) . . . . ?
Dy6 O25 N21 O24 -5.4(14) . . . . ?
Dy6 O25 N21 O26 163.6(12) . . . . ?
Dy6 N7 N8 C34 15.3(17) . . . . ?
Dy6 N7 C33 C31 -9(3) . . . . ?
Dy6 N9 C34 N8 -10.0(19) . . . . ?
Dy6 N9 C34 C35 166.9(12) . . . . ?
Dy6 N9 C38 C37 -170.9(12) . . . . ?
O1 C2 C3 C4 -177.4(10) . . . . ?
O1 C2 C8 O2 0.3(13) . . . . ?
O1 C2 C8 C7 -179.8(9) . . . . ?
O4 C16 C17 C18 -175.5(11) . . . . ?
O4 C16 C21 O3 -1.0(14) . . . . ?
O4 C16 C21 C20 175.4(10) . . . . ?
O5 C27 C28 C29 176.0(18) . . . . ?
O5 C27 C32 O6 -1(2) . . . . ?
O5 C27 C32 C31 -178.4(13) . . . . ?
O7 C40 C41 C42 177.3(14) . . . . ?
O7 C40 C45 O8 -0.5(17) . . . . ?
O7 C40 C45 C44 -179.3(11) . . . . ?
O10 C53 C54 C55 -179.0(10) . . . . ?
O10 C53 C58 O9 3.0(14) . . . . ?
O10 C53 C58 C57 176.8(9) . . . . ?
O11 C65 C66 C67 179.1(10) . . . . ?
O11 C65 C70 O12 0.1(13) . . . . ?
O11 C65 C70 C69 -177.8(9) . . . . ?
N1 N2 C10 N3 -19.1(14) . . . . ?
N1 N2 C10 C11 161.4(9) . . . . ?
N2 N1 C9 C7 176.8(10) . . . . ?
N2 C10 C11 C12 -178.8(10) . . . . ?
N3 C10 C11 C12 1.7(16) . . . . ?
N4 N5 C23 N6 -23.7(15) . . . . ?
N4 N5 C23 C24 159.0(11) . . . . ?
N5 N4 C22 C20 170.0(10) . . . . ?
N5 C23 C24 C78 -179.6(12) . . . . ?
N6 C23 C24 C78 3(2) . . . . ?
N7 N8 C34 N9 -4(2) . . . . ?
N7 N8 C34 C35 178.9(12) . . . . ?
N8 N7 C33 C31 172.3(15) . . . . ?
N8 C34 C35 C36 -177.2(15) . . . . ?
N9 C34 C35 C36 6(3) . . . . ?
N10 N11 C47 N12 -9.8(17) . . . . ?
N10 N11 C47 C48 173.3(12) . . . . ?
N11 N10 C46 C44 -179.9(12) . . . . ?
N11 C47 C48 C49 177.5(14) . . . . ?
N12 C47 C48 C49 1(2) . . . . ?
N13 N14 C60 N15 -15.2(16) . . . . ?
N13 N14 C60 C61 169.3(12) . . . . ?
N14 N13 C59 C57 172.0(10) . . . . ?
N14 C60 C61 C62 -178.4(14) . . . . ?
N15 C60 C61 C62 7(2) . . . . ?
N16 N17 C72 N18 -5.9(14) . . . . ?
N16 N17 C72 C73 172.0(9) . . . . ?
N17 N16 C71 C69 179.1(10) . . . . ?
N17 C72 C73 C74 -175.7(9) . . . . ?
N18 C72 C73 C74 2.1(15) . . . . ?
C1 O1 C2 C3 -10.1(15) . . . . ?
C1 O1 C2 C8 175.0(9) . . . . ?
C2 C3 C4 C5 -0.1(18) . . . . ?
C3 C2 C8 O2 -174.9(10) . . . . ?
C3 C2 C8 C7 5.0(15) . . . . ?
C3 C4 C5 C7 0.6(18) . . . . ?
C4 C5 C7 C8 1.7(17) . . . . ?
C4 C5 C7 C9 179.1(10) . . . . ?
C5 C7 C8 O2 175.5(10) . . . . ?
C5 C7 C8 C2 -4.4(15) . . . . ?
C5 C7 C9 N1 170.7(10) . . . . ?
C8 C2 C3 C4 -2.8(17) . . . . ?
C8 C7 C9 N1 -11.9(17) . . . . ?
C9 N1 N2 C10 -155.9(9) . . . . ?
C9 C7 C8 O2 -1.9(16) . . . . ?
C9 C7 C8 C2 178.3(9) . . . . ?
C10 N3 C14 C13 -2.6(17) . . . . ?
C10 C11 C12 C13 0.0(17) . . . . ?
C11 C12 C13 C14 -2.7(18) . . . . ?
C12 C13 C14 N3 4.2(19) . . . . ?
C14 N3 C10 N2 -180.0(10) . . . . ?
C14 N3 C10 C11 -0.5(15) . . . . ?
C15 O4 C16 C17 -2.1(17) . . . . ?
C15 O4 C16 C21 179.9(10) . . . . ?
C16 C17 C18 C19 0.0(18) . . . . ?
C17 C16 C21 O3 -179.1(10) . . . . ?
C17 C16 C21 C20 -2.7(17) . . . . ?
C17 C18 C19 C20 -1.9(19) . . . . ?
C18 C19 C20 C21 1.5(19) . . . . ?
C18 C19 C20 C22 169.6(11) . . . . ?
C19 C20 C21 O3 177.0(10) . . . . ?
C19 C20 C21 C16 0.8(17) . . . . ?
C19 C20 C22 N4 174.5(11) . . . . ?
C21 C16 C17 C18 2.3(18) . . . . ?
C21 C20 C22 N4 -17.7(18) . . . . ?
C22 N4 N5 C23 -150.8(10) . . . . ?
C22 C20 C21 O3 9.5(18) . . . . ?
C22 C20 C21 C16 -166.6(11) . . . . ?
C23 N6 C25 C6 0.5(19) . . . . ?
C23 C24 C78 C6 -4(2) . . . . ?
C25 N6 C23 N5 -178.8(11) . . . . ?
C25 N6 C23 C24 -1.6(18) . . . . ?
C25 C6 C78 C24 3(2) . . . . ?
C26 O5 C27 C28 9(2) . . . . ?
C26 O5 C27 C32 -171.2(13) . . . . ?
C27 C28 C29 C30 -2(4) . . . . ?
C28 C27 C32 O6 178.6(16) . . . . ?
C28 C27 C32 C31 1(3) . . . . ?
C28 C29 C30 C31 10(4) . . . . ?
C29 C30 C31 C32 -12(3) . . . . ?
C29 C30 C31 C33 174.1(18) . . . . ?
C30 C31 C32 O6 -170.3(14) . . . . ?
C30 C31 C32 C27 7(2) . . . . ?
C30 C31 C33 N7 176.6(17) . . . . ?
C32 C27 C28 C29 -4(3) . . . . ?
C32 C31 C33 N7 4(3) . . . . ?
C33 N7 N8 C34 -166.1(15) . . . . ?
C33 C31 C32 O6 3(3) . . . . ?
C33 C31 C32 C27 179.5(15) . . . . ?
C34 N9 C38 C37 3(2) . . . . ?
C34 C35 C36 C37 0(3) . . . . ?
C35 C36 C37 C38 -4(3) . . . . ?
C36 C37 C38 N9 3(3) . . . . ?
C38 N9 C34 N8 175.6(13) . . . . ?
C38 N9 C34 C35 -7(2) . . . . ?
C39 O7 C40 C41 -3.7(19) . . . . ?
C39 O7 C40 C45 179.1(11) . . . . ?
C40 C41 C42 C43 7(3) . . . . ?
C41 C40 C45 O8 -177.8(13) . . . . ?
C41 C40 C45 C44 3(2) . . . . ?
C41 C42 C43 C44 -6(3) . . . . ?
C42 C43 C44 C45 4(3) . . . . ?
C42 C43 C44 C46 179.3(17) . . . . ?
C43 C44 C45 O8 179.0(13) . . . . ?
C43 C44 C45 C40 -2(2) . . . . ?
C43 C44 C46 N10 167.9(15) . . . . ?
C45 C40 C41 C42 -6(2) . . . . ?
C45 C44 C46 N10 -17(2) . . . . ?
C46 N10 N11 C47 -164.6(12) . . . . ?
C46 C44 C45 O8 4(2) . . . . ?
C46 C44 C45 C40 -177.3(13) . . . . ?
C47 N12 C51 C50 3.2(19) . . . . ?
C47 C48 C49 C50 5(2) . . . . ?
C48 C49 C50 C51 -6(2) . . . . ?
C49 C50 C51 N12 2(2) . . . . ?
C51 N12 C47 N11 178.6(11) . . . . ?
C51 N12 C47 C48 -4.5(17) . . . . ?
C52 O10 C53 C54 -1.7(15) . . . . ?
C52 O10 C53 C58 175.3(9) . . . . ?
C53 C54 C55 C56 -0.5(18) . . . . ?
C54 C53 C58 O9 -179.8(10) . . . . ?
C54 C53 C58 C57 -6.0(17) . . . . ?
C54 C55 C56 C57 -1.3(18) . . . . ?
C55 C56 C57 C58 -0.5(18) . . . . ?
C55 C56 C57 C59 171.5(11) . . . . ?
C56 C57 C58 O9 177.5(10) . . . . ?
C56 C57 C58 C53 4.0(16) . . . . ?
C56 C57 C59 N13 175.9(11) . . . . ?
C58 C53 C54 C55 4.3(18) . . . . ?
C58 C57 C59 N13 -12.5(18) . . . . ?
C59 N13 N14 C60 -154.5(11) . . . . ?
C59 C57 C58 O9 6.0(17) . . . . ?
C59 C57 C58 C53 -167.4(10) . . . . ?
C60 N15 C77 C63 2(2) . . . . ?
C60 C61 C62 C63 -1(3) . . . . ?
C61 C62 C63 C77 -3(3) . . . . ?
C62 C63 C77 N15 3(3) . . . . ?
C64 O11 C65 C66 10.9(15) . . . . ?
C64 O11 C65 C70 -167.7(9) . . . . ?
C65 C66 C67 C68 0.2(17) . . . . ?
C66 C65 C70 O12 -178.5(10) . . . . ?
C66 C65 C70 C69 3.6(16) . . . . ?
C66 C67 C68 C69 0.6(18) . . . . ?
C67 C68 C69 C70 0.7(17) . . . . ?
C67 C68 C69 C71 178.0(11) . . . . ?
C68 C69 C70 O12 179.6(9) . . . . ?
C68 C69 C70 C65 -2.6(15) . . . . ?
C68 C69 C71 N16 -179.0(11) . . . . ?
C70 C65 C66 C67 -2.4(17) . . . . ?
C70 C69 C71 N16 -1.9(18) . . . . ?
C71 N16 N17 C72 -160.0(9) . . . . ?
C71 C69 C70 O12 2.6(16) . . . . ?
C71 C69 C70 C65 -179.6(10) . . . . ?
C72 N18 C76 C75 2.0(15) . . . . ?
C72 C73 C74 C75 -1.0(15) . . . . ?
C73 C74 C75 C76 0.4(15) . . . . ?
C74 C75 C76 N18 -0.9(16) . . . . ?
C76 N18 C72 N17 175.3(9) . . . . ?
C76 N18 C72 C73 -2.6(14) . . . . ?
C77 N15 C60 N14 177.9(12) . . . . ?
C77 N15 C60 C61 -7(2) . . . . ?
C78 C6 C25 N6 -1(2) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.210 -0.754 0.500 1191.7 369.6 ?

_olex2_submission_special_instructions 'No special instructions were received'
_database_code_depnum_ccdc_archive 'CCDC 1027760'
#######################################################################
#
#                 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
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#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
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data_Ho7
_vrf_PLAT019_Ho7                 
;
PROBLEM: _diffrn_measured_fraction_theta_full/_max < 1.0 0.975 Report
RESPONSE: Significant disorder in these structures leads to weak diffraction spots, and therefore prevents 100% completeness. 
;
_vrf_PLAT430_Ho7                 
;
PROBLEM: Short Inter D...A Contact O1A .. O11 .. 2.83 Ang.
RESPONSE: This nitrate counterion has large ADPs caused by heavy disorder. 
;
_audit_creation_date             2014-10-30
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.09.19 svn.r3010 for OlexSys, GUI svn.r4874)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C78 H72 Ho7 N22 O32, 3(N O3)'
_chemical_formula_sum            'C78 H72 Ho7 N25 O41'
_chemical_formula_weight         3170.11
_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'
Ho Ho -0.2175 4.6783 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   15.285(5)
_cell_length_b                   16.379(5)
_cell_length_c                   24.769(5)
_cell_angle_alpha                105.328(5)
_cell_angle_beta                 93.576(5)
_cell_angle_gamma                96.950(5)
_cell_volume                     5908(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    8898
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.294
_cell_measurement_theta_min      2.283
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.715
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.564007
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS v.2.10 (Bruker,2003) was used for absorption correction. R(int) was 0.0652 before and 0.0286 after correction. The Ratio of minimum to maximum transmission is 0.5640. The λ/2 correction factor is 0.0015.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.782
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3024
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0341
_diffrn_reflns_av_unetI/netI     0.0813
_diffrn_reflns_Laue_measured_fraction_full 0.955
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            38639
_diffrn_reflns_point_group_measured_fraction_full 0.955
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_theta_full        25.240
_diffrn_reflns_theta_max         25.026
_diffrn_reflns_theta_min         4.123
_diffrn_reflns_v_R_equivalents   ?
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.955
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                15059
_reflns_number_total             20438
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v6.45A (Bruker, 2003)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v6.45A (Bruker, 2003)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         3.247
_refine_diff_density_min         -1.907
_refine_diff_density_rms         0.234
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1342
_refine_ls_number_reflns         20438
_refine_ls_number_restraints     2290
_refine_ls_R_factor_all          0.0700
_refine_ls_R_factor_gt           0.0524
_refine_ls_restrained_S_all      0.961
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0962P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1436
_refine_ls_wR_factor_ref         0.1548
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 O1D-N1A \\sim N1A-O1E
 with sigma of 0.02
 O1E-N1A \\sim N1A-O1C
 with sigma of 0.02
 O1C-N1A \\sim N1A-O1D
 with sigma of 0.02
 O1D-O1C \\sim O1C-O1E
 with sigma of 0.02
 O1A-N31 \\sim N31-O72
 with sigma of 0.02
 O1B-N31 \\sim N31-O1A
 with sigma of 0.02
 O1A-N31 \\sim N31-O72
 with sigma of 0.02
 O72-N31 \\sim N31-O1B
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(O1D) = Uanis(N1A) = Uanis(O1E) = Uanis(O1C)
Uanis(O1B) = Uanis(O1A)
4. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5.a Riding coordinates:
 N14(H14)
5.b Aromatic/amide H refined with riding coordinates:
 N2(H2), N8(H8), C17(H17), C21(H21), C13(H13), C16(H16), C39(H39), C4(H4),
 C51(H51), C49(H49), C42(H42), N5(H5), C37(H37), C50(H50), C44(H44), C62(H62),
 C52(H52), C8(H8A), C64(H64), N24(H24), C25(H25), C10(H10), C60(H60), N11(H11),
 C36(H36), C18(H18), C72(H72), C80(H80), C57(H57), C26(H26), C31(H31), C23(H23),
  C75(H75), C55(H55), C56(H56), C47(H47), C29(H29), C24(H24A), C3(H3), C65(H65),
  C34(H34), C77(H77), C5(H5A), C38(H38), C69(H69), C43(H43), C11(H11A),
 C74(H74), C12(H12), C76(H76), C30(H30), C68(H68), C63(H63)
5.c Idealised Me refined as rotating group:
 C66(H66A,H66B,H66C), C14(H14A,H14B,H14C), C40(H40A,H40B,H40C), C1(H1A,H1B,
 H1C), C53(H53A,H53B,H53C), C27(H27A,H27B,H27C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ho1 Ho 0.68314(3) 0.76353(3) 0.08638(2) 0.02712(12) Uani 1 1 d . . . . .
Ho2 Ho 0.80636(3) 0.98934(3) 0.16221(2) 0.02071(11) Uani 1 1 d . . . . .
Ho3 Ho 0.69360(3) 0.61686(3) 0.16991(2) 0.02511(12) Uani 1 1 d . . . . .
Ho4 Ho 0.78756(3) 1.03209(3) 0.31993(2) 0.02507(12) Uani 1 1 d . . . . .
Ho5 Ho 0.62163(3) 0.67003(3) 0.31759(2) 0.02378(12) Uani 1 1 d . . . . .
Ho6 Ho 0.61802(3) 0.90993(3) 0.36874(2) 0.02493(12) Uani 1 1 d . . . . .
Ho7 Ho 0.69307(4) 0.83260(3) 0.23568(2) 0.03983(15) Uani 1 1 d . . . . .
O4 O 0.8163(4) 0.8602(4) 0.0938(3) 0.0249(13) Uani 1 1 d . . . . .
O16 O 0.6471(4) 0.9631(4) 0.2877(3) 0.0246(13) Uani 1 1 d . . . . .
N2 N 0.7329(6) 0.7586(5) -0.0452(3) 0.036(2) Uani 1 1 d . . . . .
H2 H 0.7618 0.7473 -0.0753 0.044 Uiso 1 1 calc R . . . .
O37 O 0.7861(4) 1.0908(4) 0.2443(3) 0.0260(13) Uani 1 1 d . . . . .
O11 O 0.7244(5) 0.7077(4) 0.2610(3) 0.0293(14) Uani 1 1 d . . . . .
N8 N 0.9883(5) 1.1182(5) 0.1524(4) 0.0325(19) Uani 1 1 d . . . . .
H8 H 1.0140 1.1565 0.1372 0.039 Uiso 1 1 calc R . . . .
O9 O 0.5984(4) 0.5740(4) 0.2292(3) 0.0247(13) Uani 1 1 d . . . . .
O2 O 0.7029(4) 0.6169(4) 0.0766(3) 0.0298(14) Uani 1 1 d . . . . .
O14 O 0.8194(4) 0.9336(4) 0.2374(3) 0.0258(13) Uani 1 1 d . . . . .
O10 O 0.5371(5) 0.5349(4) 0.1250(3) 0.0323(15) Uani 1 1 d . . . . .
O6 O 0.7213(4) 1.0330(4) 0.4044(3) 0.0272(14) Uani 1 1 d . . . . .
O13 O 0.6772(4) 0.8934(4) 0.1570(3) 0.0247(13) Uani 1 1 d . . . . .
O8 O 0.6678(4) 0.7894(4) 0.3935(3) 0.0257(13) Uani 1 1 d . . . . .
O27 O 0.5561(5) 0.6819(4) 0.0205(3) 0.0325(15) Uani 1 1 d . . . . .
C17 C 0.9950(7) 0.8176(6) -0.0273(4) 0.030(2) Uani 1 1 d . . . . .
H17 H 1.0340 0.8063 -0.0559 0.036 Uiso 1 1 calc R . . . .
N15 N 0.6155(5) 0.5195(5) 0.3241(3) 0.0270(16) Uani 1 1 d . . . . .
O17 O 0.5804(4) 0.7883(4) 0.2916(3) 0.0271(14) Uani 1 1 d . . . . .
C21 C 0.8560(6) 0.9828(6) 0.0279(4) 0.0239(18) Uani 1 1 d . . . . .
H21 H 0.8609 1.0083 -0.0022 0.029 Uiso 1 1 calc R . . . .
C7 C 0.7299(8) 0.5524(7) 0.0406(4) 0.036(2) Uani 1 1 d . . . . .
O7 O 0.8250(4) 0.8845(4) 0.4399(3) 0.0312(15) Uani 1 1 d . . . . .
O12 O 0.6082(5) 0.7195(4) 0.1624(3) 0.0361(15) Uani 1 1 d . . . . .
O36 O 0.6945(5) 1.1519(4) 0.3252(3) 0.0352(16) Uani 1 1 d . . . . .
C13 C 0.6129(7) 0.9181(7) 0.0237(5) 0.040(2) Uani 1 1 d . . . . .
H13 H 0.5856 0.9336 0.0576 0.048 Uiso 1 1 calc R . . . .
O25 O 0.4733(5) 0.9316(5) 0.3196(3) 0.0390(16) Uani 1 1 d . . . . .
C19 C 0.8951(6) 0.9082(6) 0.0231(4) 0.0228(17) Uani 1 1 d . . . . .
O1 O 0.7082(5) 0.4764(4) 0.1079(3) 0.0315(15) Uani 1 1 d . . . . .
C16 C 0.9790(6) 0.7596(7) 0.0067(4) 0.030(2) Uani 1 1 d . . . . .
H16 H 1.0083 0.7105 0.0019 0.036 Uiso 1 1 calc R . . . .
N23 N 0.5450(6) 0.6535(5) 0.4011(4) 0.0337(18) Uani 1 1 d . . . . .
N1 N 0.7314(5) 0.7008(5) -0.0109(3) 0.0308(17) Uani 1 1 d . . . . .
N4 N 0.8146(5) 1.0198(5) 0.0684(3) 0.0215(15) Uani 1 1 d . . . . .
O23 O 1.0573(6) 1.0648(8) 0.3574(5) 0.095(4) Uani 1 1 d . . . . .
O24 O 0.5240(5) 1.0223(5) 0.3970(3) 0.0365(16) Uani 1 1 d . . . . .
C6 C 0.7539(7) 0.5563(7) -0.0133(4) 0.036(2) Uani 1 1 d . . . . .
O15 O 0.7507(4) 0.8915(4) 0.3276(3) 0.0247(13) Uani 1 1 d . . . . .
N10 N 0.6200(6) 0.9511(5) 0.4744(3) 0.0314(17) Uani 1 1 d . . . . .
O3 O 0.8982(4) 0.7255(4) 0.0809(3) 0.0279(15) Uani 1 1 d . . . . .
O32 O 0.8191(6) 0.6203(6) -0.1585(4) 0.069(3) Uani 1 1 d . . . . .
O22 O 0.9419(5) 1.0909(5) 0.3087(3) 0.0417(17) Uani 1 1 d . . . . .
N13 N 0.7554(5) 0.6338(5) 0.3645(4) 0.0297(17) Uani 1 1 d . . . . .
O5 O 0.8420(5) 1.1585(5) 0.4003(3) 0.0437(18) Uani 1 1 d . . . . .
C22 C 0.7103(6) 1.1154(6) 0.0944(4) 0.0250(18) Uani 1 1 d . . . . .
C39 C 0.4095(7) 0.7960(7) 0.3733(5) 0.038(2) Uani 1 1 d . . . . .
H39 H 0.4060 0.7907 0.3341 0.046 Uiso 1 1 calc R . . . .
N9 N 0.9102(5) 1.1275(5) 0.1754(3) 0.0279(16) Uani 1 1 d . . . . .
N18 N 0.4606(6) 0.9943(6) 0.3583(4) 0.040(2) Uani 1 1 d . . . . .
C4 C 0.7825(9) 0.4091(8) -0.0334(5) 0.052(3) Uani 1 1 d . . . . .
H4 H 0.7995 0.3605 -0.0587 0.062 Uiso 1 1 calc R . . . .
C51 C 0.3286(7) 0.5573(8) 0.2360(5) 0.046(3) Uani 1 1 d . . . . .
H51 H 0.2958 0.5521 0.2011 0.055 Uiso 1 1 calc R . . . .
O18 O 0.7704(5) 0.5292(4) 0.2238(3) 0.0315(15) Uani 1 1 d . . . . .
N3 N 0.6561(6) 0.8479(6) 0.0143(3) 0.0343(17) Uani 1 1 d . . . . .
C71 C 0.7757(6) 1.1756(6) 0.2524(4) 0.0243(18) Uani 1 1 d . . . . .
C49 C 0.3378(8) 0.5297(8) 0.3246(5) 0.048(3) Uani 1 1 d . . . . .
H49 H 0.3134 0.5061 0.3525 0.057 Uiso 1 1 calc R . . . .
N7 N 0.9687(5) 0.9787(5) 0.1628(3) 0.0243(15) Uani 1 1 d . . . . .
C70 C 0.8180(7) 1.2279(6) 0.2235(4) 0.027(2) Uani 1 1 d . . . . .
C20 C 0.8765(6) 0.8497(6) 0.0563(4) 0.0226(18) Uani 1 1 d . . . . .
C42 C 0.8115(8) 0.8426(8) 0.5257(5) 0.049(3) Uani 1 1 d . . . . .
H42 H 0.8676 0.8743 0.5418 0.059 Uiso 1 1 calc R . . . .
O19 O 0.8515(5) 0.6090(5) 0.1822(3) 0.0377(16) Uani 1 1 d . . . . .
N5 N 0.7813(5) 1.0940(5) 0.0637(3) 0.0293(18) Uani 1 1 d . . . . .
H5 H 0.8039 1.1251 0.0426 0.035 Uiso 1 1 calc R . . . .
C37 C 0.3512(9) 0.7605(8) 0.4513(5) 0.051(3) Uani 1 1 d . . . . .
H37 H 0.3062 0.7302 0.4662 0.061 Uiso 1 1 calc R . . . .
C66 C 0.6404(9) 1.1839(7) 0.3705(5) 0.049(3) Uani 1 1 d . . . . .
H66A H 0.6114 1.1359 0.3826 0.074 Uiso 1 1 calc GR . . . .
H66B H 0.5953 1.2136 0.3570 0.074 Uiso 1 1 calc GR . . . .
H66C H 0.6781 1.2239 0.4023 0.074 Uiso 1 1 calc GR . . . .
C58 C 0.5185(6) 0.4428(6) 0.2407(4) 0.0246(18) Uani 1 1 d . . . . .
C45 C 0.6524(7) 0.7396(7) 0.4752(4) 0.037(2) Uani 1 1 d . . . . .
N25 N 0.4585(5) 0.6195(5) 0.3008(4) 0.0343(18) Uani 1 1 d . . . . .
N14 N 0.6622(6) 0.5164(5) 0.3736(3) 0.0325(19) Uani 1 1 d . . . . .
H14 H 0.6680 0.4648 0.3735 0.039 Uiso 1 1 d R . . . .
O31 O 0.9146(7) 0.6780(8) -0.1989(5) 0.092(4) Uani 1 1 d . . . . .
C59 C 0.5406(6) 0.4993(6) 0.2095(4) 0.0247(18) Uani 1 1 d . . . . .
N19 N 0.5009(6) 0.7346(5) 0.0361(4) 0.0353(18) Uani 1 1 d . . . . .
N6 N 0.6959(5) 1.0758(4) 0.1351(3) 0.0219(15) Uani 1 1 d . . . . .
C73 C 1.0256(7) 1.0455(7) 0.1541(4) 0.035(2) Uani 1 1 d . . . . .
C54 C 0.5061(7) 0.4763(6) 0.1536(4) 0.033(2) Uani 1 1 d . . . . .
C15 C 0.9192(6) 0.7777(6) 0.0471(4) 0.0247(19) Uani 1 1 d . . . . .
C32 C 0.7492(7) 1.0626(6) 0.5045(4) 0.030(2) Uani 1 1 d . . . . .
O29 O 0.4280(5) 0.7282(5) 0.0114(3) 0.0456(19) Uani 1 1 d . . . . .
C50 C 0.2936(8) 0.5140(8) 0.2746(6) 0.055(3) Uani 1 1 d . . . . .
H50 H 0.2400 0.4751 0.2647 0.066 Uiso 1 1 calc R . . . .
C44 C 0.6870(9) 0.7463(9) 0.5305(5) 0.053(3) Uani 1 1 d . . . . .
H44 H 0.6569 0.7121 0.5510 0.064 Uiso 1 1 calc R . . . .
C14 C 0.9444(8) 0.6535(6) 0.0774(5) 0.038(3) Uani 1 1 d . . . . .
H14A H 0.9294 0.6126 0.0401 0.057 Uiso 1 1 calc GR . . . .
H14B H 0.9271 0.6257 0.1064 0.057 Uiso 1 1 calc GR . . . .
H14C H 1.0084 0.6728 0.0832 0.057 Uiso 1 1 calc GR . . . .
C62 C 0.8055(8) 0.5561(8) 0.4278(5) 0.052(3) Uani 1 1 d . . . . .
H62 H 0.7922 0.5114 0.4452 0.062 Uiso 1 1 calc R . . . .
N16 N 0.8473(6) 0.5556(6) 0.2131(4) 0.040(2) Uani 1 1 d . . . . .
C67 C 0.7231(6) 1.2107(6) 0.2947(4) 0.028(2) Uani 1 1 d . . . . .
C52 C 0.4094(7) 0.6061(7) 0.2498(5) 0.037(2) Uani 1 1 d . . . . .
H52 H 0.4333 0.6324 0.2230 0.044 Uiso 1 1 calc R . . . .
N12 N 0.4835(6) 0.8460(5) 0.4068(4) 0.0348(18) Uani 1 1 d . . . . .
C8 C 0.7519(7) 0.6282(7) -0.0355(4) 0.033(2) Uani 1 1 d . . . . .
H8A H 0.7675 0.6210 -0.0729 0.040 Uiso 1 1 calc R . . . .
O30 O 0.8337(9) 0.7513(7) -0.1434(5) 0.097(4) Uani 1 1 d . . . . .
C64 C 0.9032(8) 0.6742(8) 0.4141(6) 0.056(3) Uani 1 1 d . . . . .
H64 H 0.9588 0.7099 0.4217 0.067 Uiso 1 1 calc R . . . .
O20 O 0.9146(6) 0.5347(6) 0.2304(4) 0.065(3) Uani 1 1 d . . . . .
O21 O 0.9247(5) 0.9980(6) 0.3589(4) 0.054(2) Uani 1 1 d . . . . .
N24 N 0.4664(6) 0.5969(5) 0.3885(4) 0.037(2) Uani 1 1 d . . . . .
H24 H 0.4461 0.5715 0.4134 0.045 Uiso 1 1 calc R . . . .
C9 C 0.6931(7) 0.8289(7) -0.0344(4) 0.036(2) Uani 1 1 d . . . . .
C25 C 0.5723(7) 1.1500(7) 0.1554(5) 0.036(2) Uani 1 1 d . . . . .
H25 H 0.5235 1.1612 0.1768 0.043 Uiso 1 1 calc R . . . .
C10 C 0.6891(7) 0.8744(7) -0.0743(5) 0.044(2) Uani 1 1 d . . . . .
H10 H 0.7148 0.8564 -0.1086 0.052 Uiso 1 1 calc R . . . .
C60 C 0.5648(7) 0.4508(6) 0.2977(4) 0.030(2) Uani 1 1 d . . . . .
H60 H 0.5561 0.4046 0.3141 0.036 Uiso 1 1 calc R . . . .
C48 C 0.4216(7) 0.5815(7) 0.3367(5) 0.036(2) Uani 1 1 d . . . . .
N22 N 0.8572(7) 0.6846(7) -0.1684(4) 0.044(2) Uani 1 1 d . . . . .
N11 N 0.5558(6) 0.9048(5) 0.4952(4) 0.040(2) Uani 1 1 d . . . . .
H11 H 0.5594 0.9086 0.5314 0.048 Uiso 1 1 calc R . . . .
C35 C 0.4871(8) 0.8532(7) 0.4607(5) 0.042(2) Uani 1 1 d . . . . .
C2 C 0.7334(7) 0.4767(7) 0.0530(4) 0.035(2) Uani 1 1 d . . . . .
C61 C 0.7425(7) 0.5699(7) 0.3869(4) 0.036(2) Uani 1 1 d . . . . .
O28 O 0.5258(5) 0.7918(5) 0.0819(3) 0.0402(17) Uani 1 1 d . . . . .
C40 C 0.9112(7) 0.9281(8) 0.4620(5) 0.045(3) Uani 1 1 d . . . . .
H40A H 0.9372 0.9545 0.4344 0.067 Uiso 1 1 calc GR . . . .
H40B H 0.9486 0.8873 0.4701 0.067 Uiso 1 1 calc GR . . . .
H40C H 0.9073 0.9726 0.4968 0.067 Uiso 1 1 calc GR . . . .
C36 C 0.4232(8) 0.8091(7) 0.4864(5) 0.046(3) Uani 1 1 d . . . . .
H36 H 0.4298 0.8129 0.5255 0.056 Uiso 1 1 calc R . . . .
C18 C 0.9545(6) 0.8885(6) -0.0186(4) 0.028(2) Uani 1 1 d . . . . .
H18 H 0.9663 0.9264 -0.0412 0.034 Uiso 1 1 calc R . . . .
C28 C 0.8366(7) 1.1437(7) 0.4549(4) 0.036(2) Uani 1 1 d . . . . .
C72 C 0.8922(6) 1.2039(6) 0.1909(4) 0.0260(19) Uani 1 1 d . . . . .
H72 H 0.9288 1.2475 0.1808 0.031 Uiso 1 1 calc R . . . .
C80 C 0.7077(8) 1.2914(7) 0.3056(5) 0.041(3) Uani 1 1 d . . . . .
H80 H 0.6721 1.3133 0.3347 0.050 Uiso 1 1 calc R . . . .
C57 C 0.4604(7) 0.3675(6) 0.2188(4) 0.034(2) Uani 1 1 d . . . . .
H57 H 0.4458 0.3297 0.2411 0.041 Uiso 1 1 calc R . . . .
C26 C 0.6266(6) 1.0972(6) 0.1659(4) 0.029(2) Uani 1 1 d . . . . .
H26 H 0.6168 1.0731 0.1964 0.035 Uiso 1 1 calc R . . . .
C31 C 0.8030(7) 1.1103(7) 0.5543(4) 0.038(2) Uani 1 1 d . . . . .
H31 H 0.7931 1.0984 0.5891 0.046 Uiso 1 1 calc R . . . .
C23 C 0.6596(6) 1.1720(6) 0.0828(4) 0.027(2) Uani 1 1 d . . . . .
H23 H 0.6737 1.1995 0.0545 0.033 Uiso 1 1 calc R . . . .
O26 O 0.3930(5) 1.0261(6) 0.3620(4) 0.054(2) Uani 1 1 d . . . . .
C75 C 1.1472(7) 0.9687(7) 0.1504(5) 0.042(3) Uani 1 1 d . . . . .
H75 H 1.2081 0.9647 0.1469 0.051 Uiso 1 1 calc R . . . .
C55 C 0.4487(7) 0.4027(6) 0.1304(4) 0.035(2) Uani 1 1 d . . . . .
H55 H 0.4258 0.3887 0.0920 0.042 Uiso 1 1 calc R . . . .
C1 C 0.6907(7) 0.3929(6) 0.1183(4) 0.035(2) Uani 1 1 d . . . . .
H1A H 0.6737 0.3999 0.1566 0.052 Uiso 1 1 calc GR . . . .
H1B H 0.7441 0.3652 0.1141 0.052 Uiso 1 1 calc GR . . . .
H1C H 0.6424 0.3575 0.0912 0.052 Uiso 1 1 calc GR . . . .
C56 C 0.4239(7) 0.3487(6) 0.1630(4) 0.032(2) Uani 1 1 d . . . . .
H56 H 0.3820 0.2987 0.1474 0.038 Uiso 1 1 calc R . . . .
C47 C 0.5757(7) 0.6779(7) 0.4536(4) 0.040(2) Uani 1 1 d . . . . .
H47 H 0.5454 0.6534 0.4792 0.048 Uiso 1 1 calc R . . . .
C33 C 0.7658(6) 1.0773(6) 0.4521(4) 0.0258(19) Uani 1 1 d . . . . .
C29 C 0.8840(7) 1.1909(7) 0.5021(4) 0.038(2) Uani 1 1 d . . . . .
H29 H 0.9281 1.2366 0.5011 0.045 Uiso 1 1 calc R . . . .
C24 C 0.5887(6) 1.1893(6) 0.1117(4) 0.032(2) Uani 1 1 d . . . . .
H24A H 0.5508 1.2268 0.1028 0.038 Uiso 1 1 calc R . . . .
C3 C 0.7580(8) 0.4039(7) 0.0189(5) 0.046(3) Uani 1 1 d . . . . .
H3 H 0.7583 0.3530 0.0303 0.055 Uiso 1 1 calc R . . . .
C65 C 0.8369(7) 0.6839(7) 0.3766(5) 0.047(3) Uani 1 1 d . . . . .
H65 H 0.8484 0.7276 0.3581 0.056 Uiso 1 1 calc R . . . .
C34 C 0.6768(7) 1.0042(7) 0.5126(4) 0.034(2) Uani 1 1 d . . . . .
H34 H 0.6694 1.0044 0.5505 0.041 Uiso 1 1 calc R . . . .
C77 C 1.0029(7) 0.9100(7) 0.1639(4) 0.031(2) Uani 1 1 d . . . . .
H77 H 0.9650 0.8626 0.1687 0.038 Uiso 1 1 calc R . . . .
C46 C 0.6983(7) 0.7876(7) 0.4454(4) 0.033(2) Uani 1 1 d . . . . .
C5 C 0.7824(8) 0.4811(7) -0.0485(5) 0.042(3) Uani 1 1 d . . . . .
H5A H 0.8018 0.4830 -0.0839 0.051 Uiso 1 1 calc R . . . .
C38 C 0.3437(8) 0.7553(7) 0.3927(5) 0.044(3) Uani 1 1 d . . . . .
H38 H 0.2933 0.7238 0.3684 0.052 Uiso 1 1 calc R . . . .
C53 C 0.5055(7) 0.5124(7) 0.0680(4) 0.038(3) Uani 1 1 d . . . . .
H53A H 0.5080 0.5640 0.0548 0.056 Uiso 1 1 calc GR . . . .
H53B H 0.4441 0.4842 0.0630 0.056 Uiso 1 1 calc GR . . . .
H53C H 0.5423 0.4733 0.0461 0.056 Uiso 1 1 calc GR . . . .
C27 C 0.8958(8) 1.2376(7) 0.3998(5) 0.048(3) Uani 1 1 d . . . . .
H27A H 0.9571 1.2371 0.4137 0.073 Uiso 1 1 calc GR . . . .
H27B H 0.8727 1.2862 0.4241 0.073 Uiso 1 1 calc GR . . . .
H27C H 0.8939 1.2430 0.3613 0.073 Uiso 1 1 calc GR . . . .
C69 C 0.8021(7) 1.3135(7) 0.2342(5) 0.041(3) Uani 1 1 d . . . . .
H69 H 0.8303 1.3502 0.2145 0.049 Uiso 1 1 calc R . . . .
C43 C 0.7615(9) 0.7994(9) 0.5554(5) 0.059(3) Uani 1 1 d . . . . .
H43 H 0.7791 0.8066 0.5941 0.071 Uiso 1 1 calc R . . . .
C11 C 0.6467(8) 0.9469(8) -0.0630(5) 0.052(3) Uani 1 1 d . . . . .
H11A H 0.6448 0.9813 -0.0883 0.062 Uiso 1 1 calc R . . . .
C74 C 1.1128(8) 1.0415(8) 0.1476(5) 0.047(3) Uani 1 1 d . . . . .
H74 H 1.1496 1.0885 0.1412 0.056 Uiso 1 1 calc R . . . .
C41 C 0.7804(7) 0.8400(7) 0.4734(4) 0.036(2) Uani 1 1 d . . . . .
N17 N 0.9774(7) 1.0522(7) 0.3396(4) 0.052(2) Uani 1 1 d . . . . .
C12 C 0.6069(8) 0.9667(8) -0.0125(5) 0.047(3) Uani 1 1 d . . . . .
H12 H 0.5756 1.0145 -0.0037 0.056 Uiso 1 1 calc R . . . .
C76 C 1.0903(7) 0.9018(8) 0.1584(5) 0.046(3) Uani 1 1 d . . . . .
H76 H 1.1117 0.8503 0.1600 0.055 Uiso 1 1 calc R . . . .
C30 C 0.8686(8) 1.1731(8) 0.5523(5) 0.046(3) Uani 1 1 d . . . . .
H30 H 0.9042 1.2049 0.5858 0.055 Uiso 1 1 calc R . . . .
C68 C 0.7441(8) 1.3437(7) 0.2741(5) 0.040(3) Uani 1 1 d . . . . .
H68 H 0.7296 1.3999 0.2797 0.048 Uiso 1 1 calc R . . . .
C63 C 0.8835(10) 0.6073(10) 0.4410(7) 0.079(5) Uani 1 1 d . . . . .
H63 H 0.9259 0.5994 0.4682 0.094 Uiso 1 1 calc R . . . .
O38 O 0.7683(4) 0.7517(4) 0.1652(3) 0.0294(14) Uani 1 1 d . . . . .
O1A O 0.9013(11) 0.7880(10) 0.2683(7) 0.142(4) Uani 1 1 d . . . . .
N31 N 0.9713(18) 0.8219(18) 0.2949(15) 0.260(19) Uani 1 1 d . . . . .
O72 O 1.029(2) 0.817(2) 0.3304(16) 0.36(2) Uani 1 1 d . . . . .
O1C O 0.5034(6) 1.0592(7) 0.2549(4) 0.0791(16) Uani 1 1 d . . . . .
O1D O 0.4968(6) 0.9318(7) 0.1889(4) 0.0791(16) Uani 1 1 d . . . . .
N1A N 0.4612(7) 0.9997(8) 0.2130(5) 0.0791(16) Uani 1 1 d . . . . .
O1E O 0.3806(6) 1.0010(7) 0.1987(4) 0.0791(16) Uani 1 1 d . . . . .
O1B O 0.9857(10) 0.8907(11) 0.2789(7) 0.142(4) 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
Ho1 Ho3 3.5717(9) . ?
Ho1 Ho7 3.5574(10) . ?
Ho1 O4 2.388(6) . ?
Ho1 O2 2.408(7) . ?
Ho1 O13 2.386(6) . ?
Ho1 O27 2.458(7) . ?
Ho1 O12 2.483(7) . ?
Ho1 N1 2.550(8) . ?
Ho1 N3 2.573(8) . ?
Ho1 N19 2.910(9) . ?
Ho1 O28 2.505(8) . ?
Ho1 O38 2.343(7) . ?
Ho2 Ho4 3.8178(10) . ?
Ho2 Ho7 3.8325(9) . ?
Ho2 O4 2.363(6) . ?
Ho2 O37 2.326(6) . ?
Ho2 O14 2.290(6) . ?
Ho2 O13 2.344(6) . ?
Ho2 N4 2.510(7) . ?
Ho2 N9 2.535(8) . ?
Ho2 N7 2.507(8) . ?
Ho2 N6 2.499(7) . ?
Ho3 Ho7 3.4793(12) . ?
Ho3 O11 2.335(6) . ?
Ho3 O9 2.309(6) . ?
Ho3 O2 2.326(6) . ?
Ho3 O10 2.620(7) . ?
Ho3 O12 2.287(7) . ?
Ho3 O1 2.450(6) . ?
Ho3 O18 2.538(7) . ?
Ho3 O19 2.438(7) . ?
Ho3 N16 2.915(9) . ?
Ho3 O38 2.395(6) . ?
Ho4 Ho6 3.5491(9) . ?
Ho4 Ho7 3.4633(10) . ?
Ho4 O16 2.291(6) . ?
Ho4 O37 2.320(6) . ?
Ho4 O14 2.363(6) . ?
Ho4 O6 2.379(6) . ?
Ho4 O36 2.541(7) . ?
Ho4 O15 2.364(6) . ?
Ho4 O22 2.499(7) . ?
Ho4 O5 2.478(7) . ?
Ho4 O21 2.441(8) . ?
Ho4 N17 2.877(10) . ?
Ho5 Ho6 3.8048(13) . ?
Ho5 Ho7 3.8505(10) . ?
Ho5 O11 2.303(6) . ?
Ho5 O9 2.312(6) . ?
Ho5 O8 2.327(6) . ?
Ho5 N15 2.504(8) . ?
Ho5 O17 2.339(6) . ?
Ho5 N23 2.500(8) . ?
Ho5 N13 2.499(8) . ?
Ho5 N25 2.503(8) . ?
Ho6 Ho7 3.5212(9) . ?
Ho6 O16 2.434(6) . ?
Ho6 O6 2.334(6) . ?
Ho6 O8 2.408(6) . ?
Ho6 O17 2.350(6) . ?
Ho6 O25 2.565(7) . ?
Ho6 O24 2.455(7) . ?
Ho6 O15 2.342(6) . ?
Ho6 N10 2.522(8) . ?
Ho6 N12 2.540(9) . ?
Ho7 O16 2.398(6) . ?
Ho7 O11 2.384(7) . ?
Ho7 O14 2.376(6) . ?
Ho7 O13 2.424(6) . ?
Ho7 O17 2.437(6) . ?
Ho7 O12 2.400(7) . ?
Ho7 O15 2.297(6) . ?
Ho7 O38 2.350(6) . ?
O4 C20 1.342(11) . ?
N2 N1 1.428(11) . ?
N2 C9 1.339(14) . ?
O37 C71 1.379(10) . ?
N8 N9 1.361(11) . ?
N8 C73 1.391(13) . ?
O9 C59 1.373(11) . ?
O2 C7 1.317(12) . ?
O10 C54 1.393(11) . ?
O10 C53 1.400(11) . ?
O6 C33 1.308(11) . ?
O8 C46 1.349(11) . ?
O27 N19 1.284(11) . ?
C17 C16 1.436(13) . ?
C17 C18 1.356(14) . ?
N15 N14 1.395(11) . ?
N15 C60 1.277(12) . ?
C21 C19 1.405(13) . ?
C21 N4 1.274(12) . ?
C7 C6 1.421(14) . ?
C7 C2 1.361(14) . ?
O7 C40 1.421(12) . ?
O7 C41 1.398(12) . ?
O36 C66 1.458(12) . ?
O36 C67 1.419(11) . ?
C13 N3 1.369(14) . ?
C13 C12 1.353(15) . ?
O25 N18 1.248(11) . ?
C19 C20 1.432(12) . ?
C19 C18 1.416(13) . ?
O1 C2 1.435(12) . ?
O1 C1 1.454(11) . ?
C16 C15 1.395(13) . ?
N23 N24 1.390(11) . ?
N23 C47 1.294(13) . ?
N1 C8 1.269(13) . ?
N4 N5 1.402(10) . ?
O23 N17 1.245(13) . ?
O24 N18 1.272(11) . ?
C6 C8 1.430(15) . ?
C6 C5 1.441(15) . ?
N10 N11 1.376(11) . ?
N10 C34 1.298(13) . ?
O3 C15 1.371(11) . ?
O3 C14 1.434(11) . ?
O32 N22 1.230(12) . ?
O22 N17 1.253(12) . ?
N13 C61 1.309(13) . ?
N13 C65 1.375(13) . ?
O5 C28 1.442(12) . ?
O5 C27 1.451(12) . ?
C22 N5 1.390(12) . ?
C22 N6 1.351(12) . ?
C22 C23 1.352(13) . ?
C39 N12 1.392(14) . ?
C39 C38 1.323(15) . ?
N9 C72 1.277(12) . ?
N18 O26 1.210(11) . ?
C4 C3 1.390(16) . ?
C4 C5 1.327(16) . ?
C51 C50 1.426(16) . ?
C51 C52 1.359(15) . ?
O18 N16 1.271(11) . ?
N3 C9 1.341(13) . ?
C71 C70 1.383(13) . ?
C71 C67 1.405(13) . ?
C49 C50 1.320(17) . ?
C49 C48 1.416(15) . ?
N7 C73 1.386(13) . ?
N7 C77 1.303(12) . ?
C70 C72 1.464(13) . ?
C70 C69 1.411(13) . ?
C20 C15 1.389(13) . ?
C42 C43 1.356(17) . ?
C42 C41 1.340(15) . ?
O19 N16 1.304(11) . ?
C37 C36 1.380(17) . ?
C37 C38 1.428(17) . ?
C58 C59 1.378(13) . ?
C58 C60 1.505(13) . ?
C58 C57 1.387(13) . ?
C45 C44 1.408(15) . ?
C45 C47 1.425(15) . ?
C45 C46 1.375(14) . ?
N25 C52 1.378(13) . ?
N25 C48 1.330(13) . ?
N14 C61 1.385(13) . ?
O31 N22 1.190(13) . ?
C59 C54 1.388(13) . ?
N19 O29 1.217(11) . ?
N19 O28 1.267(10) . ?
N6 C26 1.371(12) . ?
C73 C74 1.360(15) . ?
C54 C55 1.367(13) . ?
C32 C31 1.420(14) . ?
C32 C33 1.414(13) . ?
C32 C34 1.433(14) . ?
C44 C43 1.350(17) . ?
C62 C61 1.433(14) . ?
C62 C63 1.341(17) . ?
N16 O20 1.211(12) . ?
C67 C80 1.330(13) . ?
N12 C35 1.307(14) . ?
O30 N22 1.214(14) . ?
C64 C65 1.384(16) . ?
C64 C63 1.437(18) . ?
O21 N17 1.329(12) . ?
N24 C48 1.363(14) . ?
C9 C10 1.388(14) . ?
C25 C26 1.330(14) . ?
C25 C24 1.420(14) . ?
C10 C11 1.394(17) . ?
N11 C35 1.356(14) . ?
C35 C36 1.426(14) . ?
C2 C3 1.376(14) . ?
C28 C33 1.423(14) . ?
C28 C29 1.330(14) . ?
C80 C68 1.395(15) . ?
C57 C56 1.398(13) . ?
C31 C30 1.359(15) . ?
C23 C24 1.352(14) . ?
C75 C74 1.376(16) . ?
C75 C76 1.379(16) . ?
C55 C56 1.383(13) . ?
C29 C30 1.380(15) . ?
C77 C76 1.371(15) . ?
C46 C41 1.452(15) . ?
C69 C68 1.401(15) . ?
C11 C12 1.402(18) . ?
O1A N31 1.209(15) . ?
N31 O72 1.228(15) . ?
N31 O1B 1.289(16) . ?
O1C N1A 1.293(11) . ?
O1D N1A 1.314(11) . ?
N1A O1E 1.265(11) . ?

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
Ho7 Ho1 Ho3 58.423(19) . . ?
O4 Ho1 Ho3 114.60(15) . . ?
O4 Ho1 Ho7 87.31(15) . . ?
O4 Ho1 O2 115.3(2) . . ?
O4 Ho1 O27 143.0(2) . . ?
O4 Ho1 O12 128.7(2) . . ?
O4 Ho1 N1 81.5(2) . . ?
O4 Ho1 N3 74.2(2) . . ?
O4 Ho1 N19 139.2(2) . . ?
O4 Ho1 O28 129.1(2) . . ?
O2 Ho1 Ho3 40.15(15) . . ?
O2 Ho1 Ho7 98.16(15) . . ?
O2 Ho1 O27 76.5(2) . . ?
O2 Ho1 O12 73.3(2) . . ?
O2 Ho1 N1 71.1(2) . . ?
O2 Ho1 N3 132.7(2) . . ?
O2 Ho1 N19 98.5(2) . . ?
O2 Ho1 O28 115.6(2) . . ?
O13 Ho1 Ho3 101.03(15) . . ?
O13 Ho1 Ho7 42.71(15) . . ?
O13 Ho1 O4 70.1(2) . . ?
O13 Ho1 O2 140.8(2) . . ?
O13 Ho1 O27 124.2(2) . . ?
O13 Ho1 O12 74.7(2) . . ?
O13 Ho1 N1 144.2(2) . . ?
O13 Ho1 N3 86.5(3) . . ?
O13 Ho1 N19 98.3(2) . . ?
O13 Ho1 O28 73.0(2) . . ?
O27 Ho1 Ho3 96.89(16) . . ?
O27 Ho1 Ho7 127.26(16) . . ?
O27 Ho1 O12 87.9(2) . . ?
O27 Ho1 N1 69.1(2) . . ?
O27 Ho1 N3 73.1(2) . . ?
O27 Ho1 N19 26.0(2) . . ?
O27 Ho1 O28 51.2(2) . . ?
O12 Ho1 Ho3 39.48(17) . . ?
O12 Ho1 Ho7 42.32(16) . . ?
O12 Ho1 N1 141.1(2) . . ?
O12 Ho1 N3 139.2(3) . . ?
O12 Ho1 N19 81.1(2) . . ?
O12 Ho1 O28 70.4(2) . . ?
N1 Ho1 Ho3 110.58(19) . . ?
N1 Ho1 Ho7 158.93(19) . . ?
N1 Ho1 N3 64.6(3) . . ?
N1 Ho1 N19 89.0(3) . . ?
N3 Ho1 Ho3 169.85(18) . . ?
N3 Ho1 Ho7 129.1(2) . . ?
N3 Ho1 N19 66.0(2) . . ?
N19 Ho1 Ho3 105.88(17) . . ?
N19 Ho1 Ho7 110.83(17) . . ?
O28 Ho1 Ho3 105.87(18) . . ?
O28 Ho1 Ho7 88.68(16) . . ?
O28 Ho1 N1 112.2(2) . . ?
O28 Ho1 N3 69.6(3) . . ?
O28 Ho1 N19 25.7(2) . . ?
O38 Ho1 Ho3 41.64(15) . . ?
O38 Ho1 Ho7 40.77(16) . . ?
O38 Ho1 O4 75.2(2) . . ?
O38 Ho1 O2 69.5(2) . . ?
O38 Ho1 O13 75.4(2) . . ?
O38 Ho1 O27 138.5(2) . . ?
O38 Ho1 O12 60.5(2) . . ?
O38 Ho1 N1 118.5(3) . . ?
O38 Ho1 N3 148.3(2) . . ?
O38 Ho1 N19 141.5(2) . . ?
O38 Ho1 O28 126.7(2) . . ?
Ho4 Ho2 Ho1 108.821(16) . . ?
Ho4 Ho2 Ho7 53.834(15) . . ?
Ho7 Ho2 Ho1 55.032(19) . . ?
O4 Ho2 Ho1 35.73(15) . . ?
O4 Ho2 Ho4 130.01(15) . . ?
O4 Ho2 Ho7 81.39(15) . . ?
O4 Ho2 N4 71.5(2) . . ?
O4 Ho2 N9 124.3(2) . . ?
O4 Ho2 N7 74.8(2) . . ?
O4 Ho2 N6 114.9(2) . . ?
O37 Ho2 Ho1 132.94(16) . . ?
O37 Ho2 Ho4 34.70(15) . . ?
O37 Ho2 Ho7 83.19(15) . . ?
O37 Ho2 O4 164.2(2) . . ?
O37 Ho2 O13 98.2(2) . . ?
O37 Ho2 N4 123.8(2) . . ?
O37 Ho2 N9 68.7(2) . . ?
O37 Ho2 N7 107.5(2) . . ?
O37 Ho2 N6 73.7(2) . . ?
O14 Ho2 Ho1 83.56(16) . . ?
O14 Ho2 Ho4 35.49(16) . . ?
O14 Ho2 Ho7 35.50(16) . . ?
O14 Ho2 O4 95.2(2) . . ?
O14 Ho2 O37 70.0(2) . . ?
O14 Ho2 O13 72.7(2) . . ?
O14 Ho2 N4 165.0(2) . . ?
O14 Ho2 N9 112.8(2) . . ?
O14 Ho2 N7 82.4(2) . . ?
O14 Ho2 N6 131.0(2) . . ?
O13 Ho2 Ho1 35.53(15) . . ?
O13 Ho2 Ho4 82.28(15) . . ?
O13 Ho2 Ho7 37.21(15) . . ?
O13 Ho2 O4 71.2(2) . . ?
O13 Ho2 N4 108.1(2) . . ?
O13 Ho2 N9 161.2(2) . . ?
O13 Ho2 N7 135.3(2) . . ?
O13 Ho2 N6 81.3(2) . . ?
N4 Ho2 Ho1 89.00(17) . . ?
N4 Ho2 Ho4 158.50(17) . . ?
N4 Ho2 Ho7 142.85(17) . . ?
N4 Ho2 N9 71.5(2) . . ?
N9 Ho2 Ho1 157.88(18) . . ?
N9 Ho2 Ho4 92.56(18) . . ?
N9 Ho2 Ho7 145.55(18) . . ?
N7 Ho2 Ho1 106.57(18) . . ?
N7 Ho2 Ho4 98.51(16) . . ?
N7 Ho2 Ho7 109.90(17) . . ?
N7 Ho2 N4 87.3(2) . . ?
N7 Ho2 N9 63.3(3) . . ?
N6 Ho2 Ho1 98.67(16) . . ?
N6 Ho2 Ho4 101.45(17) . . ?
N6 Ho2 Ho7 109.38(17) . . ?
N6 Ho2 N4 62.9(2) . . ?
N6 Ho2 N9 82.1(2) . . ?
N6 Ho2 N7 140.5(2) . . ?
Ho7 Ho3 Ho1 60.58(2) . . ?
O11 Ho3 Ho1 102.56(16) . . ?
O11 Ho3 Ho7 43.05(16) . . ?
O11 Ho3 O10 125.1(2) . . ?
O11 Ho3 O1 145.4(2) . . ?
O11 Ho3 O18 76.1(2) . . ?
O11 Ho3 O19 81.8(2) . . ?
O11 Ho3 N16 77.5(3) . . ?
O11 Ho3 O38 71.2(2) . . ?
O9 Ho3 Ho1 132.52(16) . . ?
O9 Ho3 Ho7 92.70(15) . . ?
O9 Ho3 O11 69.5(2) . . ?
O9 Ho3 O2 142.2(2) . . ?
O9 Ho3 O10 62.6(2) . . ?
O9 Ho3 O1 99.2(2) . . ?
O9 Ho3 O18 70.8(2) . . ?
O9 Ho3 O19 120.8(2) . . ?
O9 Ho3 N16 95.5(2) . . ?
O9 Ho3 O38 134.7(2) . . ?
O2 Ho3 Ho1 41.88(16) . . ?
O2 Ho3 Ho7 102.01(16) . . ?
O2 Ho3 O11 141.0(2) . . ?
O2 Ho3 O10 79.6(2) . . ?
O2 Ho3 O1 66.6(2) . . ?
O2 Ho3 O18 127.7(2) . . ?
O2 Ho3 O19 90.9(2) . . ?
O2 Ho3 N16 110.8(3) . . ?
O2 Ho3 O38 69.9(2) . . ?
O10 Ho3 Ho1 91.32(15) . . ?
O10 Ho3 Ho7 113.64(16) . . ?
O10 Ho3 N16 130.6(2) . . ?
O12 Ho3 Ho1 43.63(17) . . ?
O12 Ho3 Ho7 43.32(18) . . ?
O12 Ho3 O11 80.7(2) . . ?
O12 Ho3 O9 89.5(2) . . ?
O12 Ho3 O2 78.5(2) . . ?
O12 Ho3 O10 73.9(2) . . ?
O12 Ho3 O1 133.2(2) . . ?
O12 Ho3 O18 153.6(2) . . ?
O12 Ho3 O19 136.2(2) . . ?
O12 Ho3 N16 154.1(3) . . ?
O12 Ho3 O38 62.6(2) . . ?
O1 Ho3 Ho1 108.39(15) . . ?
O1 Ho3 Ho7 167.74(15) . . ?
O1 Ho3 O10 70.0(2) . . ?
O1 Ho3 O18 69.3(2) . . ?
O1 Ho3 N16 71.0(3) . . ?
O18 Ho3 Ho1 155.25(16) . . ?
O18 Ho3 Ho7 118.08(15) . . ?
O18 Ho3 O10 109.9(2) . . ?
O18 Ho3 N16 25.8(2) . . ?
O19 Ho3 Ho1 103.15(16) . . ?
O19 Ho3 Ho7 100.09(17) . . ?
O19 Ho3 O10 146.1(2) . . ?
O19 Ho3 O1 76.4(2) . . ?
O19 Ho3 O18 52.1(2) . . ?
O19 Ho3 N16 26.3(2) . . ?
N16 Ho3 Ho1 129.47(19) . . ?
N16 Ho3 Ho7 110.97(19) . . ?
O38 Ho3 Ho1 40.53(16) . . ?
O38 Ho3 Ho7 42.33(15) . . ?
O38 Ho3 O10 130.4(2) . . ?
O38 Ho3 O1 126.0(2) . . ?
O38 Ho3 O18 119.7(2) . . ?
O38 Ho3 O19 73.9(2) . . ?
O38 Ho3 N16 97.1(3) . . ?
Ho7 Ho4 Ho6 60.269(18) . . ?
O16 Ho4 Ho6 42.86(15) . . ?
O16 Ho4 Ho7 43.59(16) . . ?
O16 Ho4 O37 89.0(2) . . ?
O16 Ho4 O14 80.9(2) . . ?
O16 Ho4 O6 77.1(2) . . ?
O16 Ho4 O36 75.6(2) . . ?
O16 Ho4 O15 61.9(2) . . ?
O16 Ho4 O22 154.3(2) . . ?
O16 Ho4 O5 131.0(2) . . ?
O16 Ho4 O21 137.1(2) . . ?
O16 Ho4 N17 157.5(3) . . ?
O37 Ho4 Ho6 131.29(16) . . ?
O37 Ho4 Ho7 92.16(16) . . ?
O37 Ho4 O14 68.9(2) . . ?
O37 Ho4 O6 142.9(2) . . ?
O37 Ho4 O36 63.6(2) . . ?
O37 Ho4 O15 133.2(2) . . ?
O37 Ho4 O22 70.4(2) . . ?
O37 Ho4 O5 102.3(2) . . ?
O37 Ho4 O21 121.0(2) . . ?
O37 Ho4 N17 95.3(3) . . ?
O14 Ho4 Ho6 102.55(15) . . ?
O14 Ho4 Ho7 43.18(16) . . ?
O14 Ho4 O6 139.6(2) . . ?
O14 Ho4 O36 126.7(2) . . ?
O14 Ho4 O15 70.8(2) . . ?
O14 Ho4 O22 77.5(2) . . ?
O14 Ho4 O5 147.7(2) . . ?
O14 Ho4 O21 82.6(3) . . ?
O14 Ho4 N17 80.1(3) . . ?
O6 Ho4 Ho6 40.67(15) . . ?
O6 Ho4 Ho7 100.33(15) . . ?
O6 Ho4 O36 79.6(2) . . ?
O6 Ho4 O22 128.5(2) . . ?
O6 Ho4 O5 65.2(2) . . ?
O6 Ho4 O21 90.9(3) . . ?
O6 Ho4 N17 110.7(3) . . ?
O36 Ho4 Ho6 91.52(16) . . ?
O36 Ho4 Ho7 115.77(17) . . ?
O36 Ho4 N17 126.0(3) . . ?
O15 Ho4 Ho6 40.82(15) . . ?
O15 Ho4 Ho7 41.28(15) . . ?
O15 Ho4 O6 69.0(2) . . ?
O15 Ho4 O36 131.2(2) . . ?
O15 Ho4 O22 122.0(2) . . ?
O15 Ho4 O5 124.5(2) . . ?
O15 Ho4 O21 75.3(2) . . ?
O15 Ho4 N17 100.2(3) . . ?
O22 Ho4 Ho6 157.32(18) . . ?
O22 Ho4 Ho7 119.80(18) . . ?
O22 Ho4 O36 106.7(2) . . ?
O22 Ho4 N17 25.7(3) . . ?
O5 Ho4 Ho6 105.79(17) . . ?
O5 Ho4 Ho7 164.82(16) . . ?
O5 Ho4 O36 67.9(3) . . ?
O5 Ho4 O22 70.3(2) . . ?
O5 Ho4 N17 69.7(3) . . ?
O21 Ho4 Ho6 104.23(18) . . ?
O21 Ho4 Ho7 100.9(2) . . ?
O21 Ho4 O36 143.1(3) . . ?
O21 Ho4 O22 53.1(2) . . ?
O21 Ho4 O5 75.7(3) . . ?
O21 Ho4 N17 27.4(3) . . ?
N17 Ho4 Ho6 131.6(2) . . ?
N17 Ho4 Ho7 114.0(2) . . ?
Ho3 Ho5 Ho6 108.811(15) . . ?
Ho3 Ho5 Ho7 54.138(17) . . ?
Ho6 Ho5 Ho7 54.767(19) . . ?
O11 Ho5 Ho3 35.39(16) . . ?
O11 Ho5 Ho6 83.84(16) . . ?
O11 Ho5 Ho7 35.47(17) . . ?
O11 Ho5 O9 70.0(2) . . ?
O11 Ho5 O8 94.8(2) . . ?
O11 Ho5 N15 114.4(2) . . ?
O11 Ho5 O17 72.5(2) . . ?
O11 Ho5 N23 163.1(3) . . ?
O11 Ho5 N13 81.7(3) . . ?
O11 Ho5 N25 132.8(3) . . ?
O9 Ho5 Ho3 34.77(15) . . ?
O9 Ho5 Ho6 132.64(15) . . ?
O9 Ho5 Ho7 83.62(15) . . ?
O9 Ho5 O8 164.2(2) . . ?
O9 Ho5 N15 69.1(2) . . ?
O9 Ho5 O17 97.4(2) . . ?
O9 Ho5 N23 125.2(3) . . ?
O9 Ho5 N13 105.3(2) . . ?
O9 Ho5 N25 74.1(2) . . ?
O8 Ho5 Ho3 129.67(15) . . ?
O8 Ho5 Ho6 37.26(16) . . ?
O8 Ho5 Ho7 81.26(16) . . ?
O8 Ho5 N15 123.4(2) . . ?
O8 Ho5 O17 73.0(2) . . ?
O8 Ho5 N23 70.5(3) . . ?
O8 Ho5 N13 75.7(2) . . ?
O8 Ho5 N25 116.1(2) . . ?
N15 Ho5 Ho3 93.65(18) . . ?
N15 Ho5 Ho6 157.23(18) . . ?
N15 Ho5 Ho7 147.11(18) . . ?
O17 Ho5 Ho3 81.74(15) . . ?
O17 Ho5 Ho6 35.86(15) . . ?
O17 Ho5 Ho7 37.13(16) . . ?
O17 Ho5 N15 159.5(2) . . ?
O17 Ho5 N23 109.4(3) . . ?
O17 Ho5 N13 137.1(2) . . ?
O17 Ho5 N25 83.0(3) . . ?
N23 Ho5 Ho3 159.8(2) . . ?
N23 Ho5 Ho6 88.7(2) . . ?
N23 Ho5 Ho7 142.9(2) . . ?
N23 Ho5 N15 70.0(3) . . ?
N23 Ho5 N25 63.4(3) . . ?
N13 Ho5 Ho3 96.71(19) . . ?
N13 Ho5 Ho6 109.13(18) . . ?
N13 Ho5 Ho7 109.69(19) . . ?
N13 Ho5 N15 63.1(3) . . ?
N13 Ho5 N23 86.5(3) . . ?
N13 Ho5 N25 137.9(3) . . ?
N25 Ho5 Ho3 102.7(2) . . ?
N25 Ho5 Ho6 99.4(2) . . ?
N25 Ho5 Ho7 112.0(2) . . ?
N25 Ho5 N15 78.6(3) . . ?
Ho4 Ho6 Ho5 113.32(2) . . ?
Ho7 Ho6 Ho4 58.658(18) . . ?
Ho7 Ho6 Ho5 63.276(13) . . ?
O16 Ho6 Ho4 39.80(14) . . ?
O16 Ho6 Ho5 105.04(14) . . ?
O16 Ho6 Ho7 42.81(15) . . ?
O16 Ho6 O25 69.3(2) . . ?
O16 Ho6 O24 87.8(2) . . ?
O16 Ho6 N10 144.6(2) . . ?
O16 Ho6 N12 136.7(3) . . ?
O6 Ho6 Ho4 41.63(15) . . ?
O6 Ho6 Ho5 137.04(16) . . ?
O6 Ho6 Ho7 99.67(15) . . ?
O6 Ho6 O16 75.2(2) . . ?
O6 Ho6 O8 111.0(2) . . ?
O6 Ho6 O17 143.1(2) . . ?
O6 Ho6 O25 115.4(2) . . ?
O6 Ho6 O24 77.2(2) . . ?
O6 Ho6 O15 70.1(2) . . ?
O6 Ho6 N10 72.5(2) . . ?
O6 Ho6 N12 133.2(2) . . ?
O8 Ho6 Ho4 112.58(15) . . ?
O8 Ho6 Ho5 35.81(15) . . ?
O8 Ho6 Ho7 87.70(15) . . ?
O8 Ho6 O16 129.1(2) . . ?
O8 Ho6 O25 133.4(2) . . ?
O8 Ho6 O24 143.0(2) . . ?
O8 Ho6 N10 76.9(2) . . ?
O8 Ho6 N12 77.0(2) . . ?
O17 Ho6 Ho4 102.20(16) . . ?
O17 Ho6 Ho5 35.66(16) . . ?
O17 Ho6 Ho7 43.60(16) . . ?
O17 Ho6 O16 76.1(2) . . ?
O17 Ho6 O8 71.4(2) . . ?
O17 Ho6 O25 74.5(2) . . ?
O17 Ho6 O24 124.2(2) . . ?
O17 Ho6 N10 139.3(2) . . ?
O17 Ho6 N12 83.7(2) . . ?
O25 Ho6 Ho4 104.88(17) . . ?
O25 Ho6 Ho5 103.92(17) . . ?
O25 Ho6 Ho7 88.94(17) . . ?
O24 Ho6 Ho4 97.39(17) . . ?
O24 Ho6 Ho5 145.17(17) . . ?
O24 Ho6 Ho7 127.58(17) . . ?
O24 Ho6 O25 50.0(2) . . ?
O24 Ho6 N10 71.4(3) . . ?
O24 Ho6 N12 72.5(3) . . ?
O15 Ho6 Ho4 41.28(15) . . ?
O15 Ho6 Ho5 73.31(15) . . ?
O15 Ho6 Ho7 40.15(15) . . ?
O15 Ho6 O16 60.1(2) . . ?
O15 Ho6 O8 74.4(2) . . ?
O15 Ho6 O17 75.6(2) . . ?
O15 Ho6 O25 125.8(2) . . ?
O15 Ho6 O24 138.6(2) . . ?
O15 Ho6 N10 119.5(2) . . ?
O15 Ho6 N12 148.8(2) . . ?
N10 Ho6 Ho4 113.34(19) . . ?
N10 Ho6 Ho5 108.34(18) . . ?
N10 Ho6 Ho7 158.35(19) . . ?
N10 Ho6 O25 112.7(3) . . ?
N10 Ho6 N12 64.5(3) . . ?
N12 Ho6 Ho4 169.90(19) . . ?
N12 Ho6 Ho5 76.25(18) . . ?
N12 Ho6 Ho7 127.08(19) . . ?
N12 Ho6 O25 68.5(3) . . ?
Ho3 Ho7 Ho1 60.994(14) . . ?
Ho3 Ho7 Ho6 123.939(17) . . ?
Ho4 Ho7 Ho1 125.783(18) . . ?
Ho4 Ho7 Ho3 153.86(2) . . ?
Ho4 Ho7 Ho6 61.073(16) . . ?
Ho6 Ho7 Ho1 157.71(2) . . ?
O16 Ho7 Ho1 124.34(15) . . ?
O16 Ho7 Ho3 161.51(15) . . ?
O16 Ho7 Ho4 41.20(15) . . ?
O16 Ho7 Ho6 43.63(15) . . ?
O16 Ho7 O13 83.7(2) . . ?
O16 Ho7 O17 75.2(2) . . ?
O16 Ho7 O12 127.8(2) . . ?
O11 Ho7 Ho1 101.90(15) . . ?
O11 Ho7 Ho3 41.96(15) . . ?
O11 Ho7 Ho4 119.34(16) . . ?
O11 Ho7 Ho6 89.38(15) . . ?
O11 Ho7 O16 132.6(2) . . ?
O11 Ho7 O13 143.5(2) . . ?
O11 Ho7 O17 69.4(2) . . ?
O11 Ho7 O12 77.4(2) . . ?
O14 Ho7 Ho1 89.70(15) . . ?
O14 Ho7 Ho3 119.97(15) . . ?
O14 Ho7 Ho4 42.90(15) . . ?
O14 Ho7 Ho6 103.06(15) . . ?
O14 Ho7 O16 78.5(2) . . ?
O14 Ho7 O11 114.8(2) . . ?
O14 Ho7 O13 69.8(2) . . ?
O14 Ho7 O17 144.4(2) . . ?
O14 Ho7 O12 133.4(2) . . ?
O13 Ho7 Ho1 41.90(14) . . ?
O13 Ho7 Ho3 102.80(14) . . ?
O13 Ho7 Ho4 89.31(14) . . ?
O13 Ho7 Ho6 125.95(15) . . ?
O13 Ho7 O17 129.3(2) . . ?
O17 Ho7 Ho1 124.97(15) . . ?
O17 Ho7 Ho3 87.55(15) . . ?
O17 Ho7 Ho4 102.71(15) . . ?
O17 Ho7 Ho6 41.70(15) . . ?
O12 Ho7 Ho1 44.15(16) . . ?
O12 Ho7 Ho3 40.84(17) . . ?
O12 Ho7 Ho4 163.22(17) . . ?
O12 Ho7 Ho6 122.51(17) . . ?
O12 Ho7 O13 75.6(2) . . ?
O12 Ho7 O17 82.0(2) . . ?
O15 Ho7 Ho1 159.62(16) . . ?
O15 Ho7 Ho3 120.90(15) . . ?
O15 Ho7 Ho4 42.75(15) . . ?
O15 Ho7 Ho6 41.11(16) . . ?
O15 Ho7 O16 61.3(2) . . ?
O15 Ho7 O11 79.4(2) . . ?
O15 Ho7 O14 71.7(2) . . ?
O15 Ho7 O13 132.1(2) . . ?
O15 Ho7 O17 74.8(2) . . ?
O15 Ho7 O12 151.7(2) . . ?
O15 Ho7 O38 124.5(2) . . ?
O38 Ho7 Ho1 40.63(17) . . ?
O38 Ho7 Ho3 43.36(15) . . ?
O38 Ho7 Ho4 121.80(16) . . ?
O38 Ho7 Ho6 159.17(16) . . ?
O38 Ho7 O16 153.3(2) . . ?
O38 Ho7 O11 71.2(2) . . ?
O38 Ho7 O14 79.5(2) . . ?
O38 Ho7 O13 74.6(2) . . ?
O38 Ho7 O17 130.9(2) . . ?
O38 Ho7 O12 61.6(2) . . ?
Ho2 O4 Ho1 109.0(2) . . ?
C20 O4 Ho1 124.2(5) . . ?
C20 O4 Ho2 125.2(5) . . ?
Ho4 O16 Ho6 97.3(2) . . ?
Ho4 O16 Ho7 95.2(2) . . ?
Ho7 O16 Ho6 93.6(2) . . ?
C9 N2 N1 124.3(9) . . ?
Ho4 O37 Ho2 110.5(3) . . ?
C71 O37 Ho2 129.4(5) . . ?
C71 O37 Ho4 120.1(5) . . ?
Ho3 O11 Ho7 95.0(2) . . ?
Ho5 O11 Ho3 109.8(3) . . ?
Ho5 O11 Ho7 110.4(3) . . ?
N9 N8 C73 117.0(8) . . ?
Ho3 O9 Ho5 110.4(2) . . ?
C59 O9 Ho3 119.5(5) . . ?
C59 O9 Ho5 130.0(5) . . ?
Ho3 O2 Ho1 98.0(2) . . ?
C7 O2 Ho1 140.0(6) . . ?
C7 O2 Ho3 120.6(6) . . ?
Ho2 O14 Ho4 110.3(3) . . ?
Ho2 O14 Ho7 110.5(3) . . ?
Ho4 O14 Ho7 93.9(2) . . ?
C54 O10 Ho3 111.2(5) . . ?
C54 O10 C53 114.4(7) . . ?
C53 O10 Ho3 126.5(6) . . ?
Ho6 O6 Ho4 97.7(2) . . ?
C33 O6 Ho4 117.9(6) . . ?
C33 O6 Ho6 139.6(6) . . ?
Ho1 O13 Ho7 95.4(2) . . ?
Ho2 O13 Ho1 109.7(2) . . ?
Ho2 O13 Ho7 107.0(2) . . ?
Ho5 O8 Ho6 106.9(2) . . ?
C46 O8 Ho5 125.5(6) . . ?
C46 O8 Ho6 126.1(6) . . ?
N19 O27 Ho1 97.1(5) . . ?
C18 C17 C16 120.1(9) . . ?
N14 N15 Ho5 111.3(5) . . ?
C60 N15 Ho5 131.5(7) . . ?
C60 N15 N14 115.4(8) . . ?
Ho5 O17 Ho6 108.5(3) . . ?
Ho5 O17 Ho7 107.5(2) . . ?
Ho6 O17 Ho7 94.7(2) . . ?
N4 C21 C19 126.9(9) . . ?
O2 C7 C6 122.8(9) . . ?
O2 C7 C2 120.7(9) . . ?
C2 C7 C6 116.5(10) . . ?
C41 O7 C40 116.5(8) . . ?
Ho3 O12 Ho1 96.9(3) . . ?
Ho3 O12 Ho7 95.8(3) . . ?
Ho7 O12 Ho1 93.5(2) . . ?
C66 O36 Ho4 125.4(6) . . ?
C67 O36 Ho4 114.9(5) . . ?
C67 O36 C66 115.3(7) . . ?
C12 C13 N3 123.8(12) . . ?
N18 O25 Ho6 94.9(6) . . ?
C21 C19 C20 124.2(9) . . ?
C21 C19 C18 117.5(8) . . ?
C18 C19 C20 118.3(9) . . ?
C2 O1 Ho3 115.3(5) . . ?
C2 O1 C1 116.0(7) . . ?
C1 O1 Ho3 128.6(5) . . ?
C15 C16 C17 117.7(9) . . ?
N24 N23 Ho5 114.8(6) . . ?
C47 N23 Ho5 128.5(7) . . ?
C47 N23 N24 115.4(8) . . ?
N2 N1 Ho1 112.9(6) . . ?
C8 N1 Ho1 133.3(7) . . ?
C8 N1 N2 113.7(8) . . ?
C21 N4 Ho2 127.3(6) . . ?
C21 N4 N5 116.5(7) . . ?
N5 N4 Ho2 115.5(5) . . ?
N18 O24 Ho6 99.6(6) . . ?
C7 C6 C8 125.6(10) . . ?
C7 C6 C5 117.0(10) . . ?
C8 C6 C5 117.4(9) . . ?
Ho6 O15 Ho4 97.9(2) . . ?
Ho7 O15 Ho4 96.0(2) . . ?
Ho7 O15 Ho6 98.7(2) . . ?
N11 N10 Ho6 115.3(6) . . ?
C34 N10 Ho6 129.9(7) . . ?
C34 N10 N11 114.5(9) . . ?
C15 O3 C14 118.6(7) . . ?
N17 O22 Ho4 94.2(6) . . ?
C61 N13 Ho5 116.5(7) . . ?
C61 N13 C65 117.8(9) . . ?
C65 N13 Ho5 124.8(7) . . ?
C28 O5 Ho4 114.7(6) . . ?
C28 O5 C27 115.3(8) . . ?
C27 O5 Ho4 128.3(6) . . ?
N6 C22 N5 115.8(8) . . ?
N6 C22 C23 123.5(9) . . ?
C23 C22 N5 120.7(9) . . ?
C38 C39 N12 124.2(11) . . ?
N8 N9 Ho2 114.9(6) . . ?
C72 N9 Ho2 127.8(7) . . ?
C72 N9 N8 115.9(8) . . ?
O25 N18 O24 114.9(9) . . ?
O26 N18 O25 125.2(10) . . ?
O26 N18 O24 119.8(10) . . ?
C5 C4 C3 121.0(11) . . ?
C52 C51 C50 119.1(12) . . ?
N16 O18 Ho3 93.9(5) . . ?
C13 N3 Ho1 124.7(7) . . ?
C9 N3 Ho1 119.6(7) . . ?
C9 N3 C13 115.4(9) . . ?
O37 C71 C70 123.5(8) . . ?
O37 C71 C67 117.3(8) . . ?
C70 C71 C67 119.1(9) . . ?
C50 C49 C48 120.1(11) . . ?
C73 N7 Ho2 118.8(6) . . ?
C77 N7 Ho2 124.4(7) . . ?
C77 N7 C73 116.2(9) . . ?
C71 C70 C72 122.2(9) . . ?
C71 C70 C69 119.3(9) . . ?
C69 C70 C72 117.3(9) . . ?
O4 C20 C19 122.1(8) . . ?
O4 C20 C15 119.3(8) . . ?
C15 C20 C19 118.5(8) . . ?
C41 C42 C43 118.9(12) . . ?
N16 O19 Ho3 97.7(6) . . ?
C22 N5 N4 116.0(7) . . ?
C36 C37 C38 120.7(11) . . ?
C59 C58 C60 122.9(8) . . ?
C59 C58 C57 122.4(9) . . ?
C57 C58 C60 114.2(8) . . ?
C44 C45 C47 116.1(10) . . ?
C46 C45 C44 118.0(10) . . ?
C46 C45 C47 125.6(10) . . ?
C52 N25 Ho5 123.8(6) . . ?
C48 N25 Ho5 117.9(7) . . ?
C48 N25 C52 115.7(9) . . ?
C61 N14 N15 113.9(8) . . ?
O9 C59 C58 124.4(8) . . ?
O9 C59 C54 118.0(8) . . ?
C58 C59 C54 117.5(9) . . ?
O27 N19 Ho1 57.0(5) . . ?
O29 N19 Ho1 172.8(7) . . ?
O29 N19 O27 123.5(9) . . ?
O29 N19 O28 121.7(9) . . ?
O28 N19 Ho1 59.0(5) . . ?
O28 N19 O27 114.6(8) . . ?
C22 N6 Ho2 120.5(6) . . ?
C22 N6 C26 116.1(8) . . ?
C26 N6 Ho2 122.5(6) . . ?
N7 C73 N8 115.9(9) . . ?
C74 C73 N8 121.3(10) . . ?
C74 C73 N7 122.9(10) . . ?
C59 C54 O10 112.9(8) . . ?
C55 C54 O10 125.2(9) . . ?
C55 C54 C59 121.9(9) . . ?
O3 C15 C16 122.2(8) . . ?
O3 C15 C20 114.8(8) . . ?
C20 C15 C16 122.9(9) . . ?
C31 C32 C34 115.2(9) . . ?
C33 C32 C31 120.3(9) . . ?
C33 C32 C34 124.4(9) . . ?
C49 C50 C51 118.0(11) . . ?
C43 C44 C45 122.5(12) . . ?
C63 C62 C61 118.7(11) . . ?
O18 N16 Ho3 60.3(5) . . ?
O18 N16 O19 116.3(9) . . ?
O19 N16 Ho3 56.0(5) . . ?
O20 N16 Ho3 175.7(8) . . ?
O20 N16 O18 123.8(9) . . ?
O20 N16 O19 119.9(9) . . ?
C71 C67 O36 111.9(8) . . ?
C80 C67 O36 125.7(9) . . ?
C80 C67 C71 122.3(10) . . ?
C51 C52 N25 123.2(11) . . ?
C39 N12 Ho6 124.3(7) . . ?
C35 N12 Ho6 118.2(7) . . ?
C35 N12 C39 117.2(10) . . ?
N1 C8 C6 127.1(10) . . ?
C65 C64 C63 116.6(11) . . ?
N17 O21 Ho4 94.9(6) . . ?
C48 N24 N23 118.3(8) . . ?
N2 C9 N3 116.2(9) . . ?
N2 C9 C10 119.2(11) . . ?
N3 C9 C10 124.6(11) . . ?
C26 C25 C24 118.8(10) . . ?
C9 C10 C11 118.8(12) . . ?
N15 C60 C58 120.4(9) . . ?
N25 C48 C49 123.5(11) . . ?
N25 C48 N24 117.2(9) . . ?
N24 C48 C49 119.3(10) . . ?
O31 N22 O32 119.6(12) . . ?
O31 N22 O30 125.4(12) . . ?
O30 N22 O32 114.9(12) . . ?
C35 N11 N10 121.0(9) . . ?
N12 C35 N11 119.1(10) . . ?
N12 C35 C36 124.2(11) . . ?
N11 C35 C36 116.7(10) . . ?
C7 C2 O1 114.0(9) . . ?
C7 C2 C3 126.6(10) . . ?
C3 C2 O1 119.4(9) . . ?
N13 C61 N14 118.8(9) . . ?
N13 C61 C62 122.8(10) . . ?
N14 C61 C62 118.2(9) . . ?
N19 O28 Ho1 95.3(6) . . ?
C37 C36 C35 116.0(11) . . ?
C17 C18 C19 122.3(9) . . ?
C33 C28 O5 109.7(8) . . ?
C29 C28 O5 125.2(10) . . ?
C29 C28 C33 124.7(10) . . ?
N9 C72 C70 123.6(9) . . ?
C67 C80 C68 119.6(10) . . ?
C58 C57 C56 118.3(9) . . ?
C25 C26 N6 123.3(10) . . ?
C30 C31 C32 120.3(10) . . ?
C24 C23 C22 119.7(9) . . ?
C74 C75 C76 117.9(11) . . ?
C54 C55 C56 119.8(10) . . ?
C55 C56 C57 120.0(9) . . ?
N23 C47 C45 123.6(9) . . ?
O6 C33 C32 123.3(9) . . ?
O6 C33 C28 122.1(9) . . ?
C32 C33 C28 114.6(9) . . ?
C28 C29 C30 119.5(11) . . ?
C23 C24 C25 118.4(9) . . ?
C2 C3 C4 116.2(11) . . ?
N13 C65 C64 123.5(12) . . ?
N10 C34 C32 127.7(10) . . ?
N7 C77 C76 124.1(10) . . ?
O8 C46 C45 122.4(9) . . ?
O8 C46 C41 120.7(9) . . ?
C45 C46 C41 116.9(9) . . ?
C4 C5 C6 122.6(11) . . ?
C39 C38 C37 117.6(11) . . ?
C68 C69 C70 119.2(10) . . ?
C44 C43 C42 120.5(12) . . ?
C10 C11 C12 117.0(11) . . ?
C73 C74 C75 119.2(11) . . ?
O7 C41 C46 113.7(9) . . ?
C42 C41 O7 123.6(10) . . ?
C42 C41 C46 122.7(10) . . ?
O23 N17 Ho4 169.4(9) . . ?
O23 N17 O22 125.6(11) . . ?
O23 N17 O21 116.5(10) . . ?
O22 N17 Ho4 60.0(5) . . ?
O22 N17 O21 117.6(9) . . ?
O21 N17 Ho4 57.7(5) . . ?
C13 C12 C11 120.3(13) . . ?
C77 C76 C75 119.6(11) . . ?
C31 C30 C29 120.5(10) . . ?
C80 C68 C69 120.2(10) . . ?
C62 C63 C64 120.2(12) . . ?
Ho1 O38 Ho3 97.8(2) . . ?
Ho1 O38 Ho7 98.6(3) . . ?
Ho7 O38 Ho3 94.3(2) . . ?
O1A N31 O72 145(3) . . ?
O1A N31 O1B 101.9(18) . . ?
O72 N31 O1B 113(2) . . ?
O1C N1A O1D 121.3(10) . . ?
O1E N1A O1C 120.1(10) . . ?
O1E N1A O1D 118.1(11) . . ?

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
Ho1 O4 C20 C19 115.5(8) . . . . ?
Ho1 O4 C20 C15 -61.3(10) . . . . ?
Ho1 O2 C7 C6 -4.4(17) . . . . ?
Ho1 O2 C7 C2 177.8(7) . . . . ?
Ho1 O27 N19 O29 171.4(8) . . . . ?
Ho1 O27 N19 O28 -12.9(8) . . . . ?
Ho1 N1 C8 C6 -0.4(16) . . . . ?
Ho1 N3 C9 N2 8.4(12) . . . . ?
Ho1 N3 C9 C10 -174.5(8) . . . . ?
Ho2 O4 C20 C19 -48.1(11) . . . . ?
Ho2 O4 C20 C15 135.1(7) . . . . ?
Ho2 O37 C71 C70 -34.9(12) . . . . ?
Ho2 O37 C71 C67 148.9(7) . . . . ?
Ho2 N4 N5 C22 -33.0(10) . . . . ?
Ho2 N9 C72 C70 23.4(13) . . . . ?
Ho2 N7 C73 N8 7.5(11) . . . . ?
Ho2 N7 C73 C74 -172.6(8) . . . . ?
Ho2 N7 C77 C76 173.0(8) . . . . ?
Ho2 N6 C26 C25 173.1(8) . . . . ?
Ho3 O9 C59 C58 142.0(8) . . . . ?
Ho3 O9 C59 C54 -33.9(11) . . . . ?
Ho3 O2 C7 C6 -166.9(8) . . . . ?
Ho3 O2 C7 C2 15.2(14) . . . . ?
Ho3 O10 C54 C59 27.0(10) . . . . ?
Ho3 O10 C54 C55 -152.2(10) . . . . ?
Ho3 O1 C2 C7 -11.1(12) . . . . ?
Ho3 O1 C2 C3 168.9(8) . . . . ?
Ho3 O18 N16 O19 -0.8(9) . . . . ?
Ho3 O18 N16 O20 178.5(10) . . . . ?
Ho3 O19 N16 O18 0.8(9) . . . . ?
Ho3 O19 N16 O20 -178.5(9) . . . . ?
Ho4 O37 C71 C70 143.9(8) . . . . ?
Ho4 O37 C71 C67 -32.4(10) . . . . ?
Ho4 O6 C33 C32 -159.1(7) . . . . ?
Ho4 O6 C33 C28 19.8(12) . . . . ?
Ho4 O36 C67 C71 21.4(10) . . . . ?
Ho4 O36 C67 C80 -155.0(9) . . . . ?
Ho4 O22 N17 O23 -169.4(12) . . . . ?
Ho4 O22 N17 O21 4.7(11) . . . . ?
Ho4 O5 C28 C33 -28.0(11) . . . . ?
Ho4 O5 C28 C29 158.7(10) . . . . ?
Ho4 O21 N17 O23 169.8(11) . . . . ?
Ho4 O21 N17 O22 -4.8(11) . . . . ?
Ho5 O9 C59 C58 -36.4(13) . . . . ?
Ho5 O9 C59 C54 147.7(7) . . . . ?
Ho5 O8 C46 C45 -52.3(13) . . . . ?
Ho5 O8 C46 C41 130.4(8) . . . . ?
Ho5 N15 N14 C61 -42.3(10) . . . . ?
Ho5 N15 C60 C58 23.6(14) . . . . ?
Ho5 N23 N24 C48 -24.3(11) . . . . ?
Ho5 N23 C47 C45 17.5(17) . . . . ?
Ho5 N13 C61 N14 13.3(13) . . . . ?
Ho5 N13 C61 C62 -162.3(9) . . . . ?
Ho5 N13 C65 C64 163.5(10) . . . . ?
Ho5 N25 C52 C51 161.0(8) . . . . ?
Ho5 N25 C48 C49 -161.8(9) . . . . ?
Ho5 N25 C48 N24 20.7(12) . . . . ?
Ho6 O6 C33 C32 -10.2(15) . . . . ?
Ho6 O6 C33 C28 168.7(7) . . . . ?
Ho6 O8 C46 C45 111.6(10) . . . . ?
Ho6 O8 C46 C41 -65.7(11) . . . . ?
Ho6 O25 N18 O24 7.6(9) . . . . ?
Ho6 O25 N18 O26 -169.2(10) . . . . ?
Ho6 O24 N18 O25 -8.0(9) . . . . ?
Ho6 O24 N18 O26 169.0(8) . . . . ?
Ho6 N10 N11 C35 -12.3(12) . . . . ?
Ho6 N10 C34 C32 8.5(17) . . . . ?
Ho6 N12 C35 N11 9.9(14) . . . . ?
Ho6 N12 C35 C36 -169.4(9) . . . . ?
O4 C20 C15 C16 176.5(9) . . . . ?
O4 C20 C15 O3 -3.6(13) . . . . ?
N2 N1 C8 C6 -178.0(9) . . . . ?
N2 C9 C10 C11 179.3(10) . . . . ?
O37 C71 C70 C72 -13.8(15) . . . . ?
O37 C71 C70 C69 179.1(9) . . . . ?
O37 C71 C67 O36 4.4(12) . . . . ?
O37 C71 C67 C80 -179.1(10) . . . . ?
N8 N9 C72 C70 -171.1(9) . . . . ?
N8 C73 C74 C75 179.1(11) . . . . ?
O9 C59 C54 O10 0.2(13) . . . . ?
O9 C59 C54 C55 179.4(10) . . . . ?
O2 C7 C6 C8 -0.3(18) . . . . ?
O2 C7 C6 C5 180.0(10) . . . . ?
O2 C7 C2 O1 -1.8(16) . . . . ?
O2 C7 C2 C3 178.2(11) . . . . ?
O10 C54 C55 C56 178.8(10) . . . . ?
O8 C46 C41 O7 -4.7(14) . . . . ?
O8 C46 C41 C42 177.4(10) . . . . ?
O27 N19 O28 Ho1 12.6(8) . . . . ?
C17 C16 C15 O3 178.8(9) . . . . ?
C17 C16 C15 C20 -1.3(15) . . . . ?
N15 N14 C61 N13 20.0(14) . . . . ?
N15 N14 C61 C62 -164.1(10) . . . . ?
C21 C19 C20 O4 2.7(14) . . . . ?
C21 C19 C20 C15 179.5(9) . . . . ?
C21 C19 C18 C17 -179.1(9) . . . . ?
C21 N4 N5 C22 156.3(8) . . . . ?
C7 C6 C8 N1 2.4(18) . . . . ?
C7 C6 C5 C4 3.4(18) . . . . ?
C7 C2 C3 C4 0.7(19) . . . . ?
O36 C67 C80 C68 176.4(10) . . . . ?
C13 N3 C9 N2 -177.7(9) . . . . ?
C13 N3 C9 C10 -0.7(14) . . . . ?
C19 C21 N4 Ho2 10.5(13) . . . . ?
C19 C21 N4 N5 180.0(8) . . . . ?
C19 C20 C15 C16 -0.5(14) . . . . ?
C19 C20 C15 O3 179.5(8) . . . . ?
O1 C2 C3 C4 -179.3(10) . . . . ?
C16 C17 C18 C19 -0.6(15) . . . . ?
N23 N24 C48 C49 -174.8(10) . . . . ?
N23 N24 C48 N25 2.8(14) . . . . ?
N1 N2 C9 N3 5.5(14) . . . . ?
N1 N2 C9 C10 -171.7(9) . . . . ?
N4 C21 C19 C20 16.1(15) . . . . ?
N4 C21 C19 C18 -166.1(9) . . . . ?
C6 C7 C2 O1 -179.8(9) . . . . ?
C6 C7 C2 C3 0.2(18) . . . . ?
N10 N11 C35 N12 1.8(17) . . . . ?
N10 N11 C35 C36 -178.9(10) . . . . ?
O5 C28 C33 O6 6.5(14) . . . . ?
O5 C28 C33 C32 -174.5(8) . . . . ?
O5 C28 C29 C30 176.0(11) . . . . ?
C22 N6 C26 C25 3.7(14) . . . . ?
C22 C23 C24 C25 3.0(15) . . . . ?
C39 N12 C35 N11 -176.7(10) . . . . ?
C39 N12 C35 C36 4.0(17) . . . . ?
N9 N8 C73 N7 19.0(13) . . . . ?
N9 N8 C73 C74 -160.9(10) . . . . ?
N3 C13 C12 C11 -0.5(17) . . . . ?
N3 C9 C10 C11 2.3(16) . . . . ?
C71 C70 C72 N9 17.2(15) . . . . ?
C71 C70 C69 C68 0.4(16) . . . . ?
C71 C67 C80 C68 0.4(17) . . . . ?
N7 C73 C74 C75 -0.8(17) . . . . ?
N7 C77 C76 C75 -1.0(17) . . . . ?
C70 C71 C67 O36 -172.0(8) . . . . ?
C70 C71 C67 C80 4.4(16) . . . . ?
C70 C69 C68 C80 4.5(17) . . . . ?
C20 C19 C18 C17 -1.2(14) . . . . ?
N5 C22 N6 Ho2 9.7(10) . . . . ?
N5 C22 N6 C26 179.3(8) . . . . ?
N5 C22 C23 C24 177.3(9) . . . . ?
C66 O36 C67 C71 179.2(9) . . . . ?
C66 O36 C67 C80 2.9(15) . . . . ?
C58 C59 C54 O10 -176.0(8) . . . . ?
C58 C59 C54 C55 3.2(16) . . . . ?
C58 C57 C56 C55 2.6(16) . . . . ?
C45 C44 C43 C42 -7(2) . . . . ?
C45 C46 C41 O7 177.8(9) . . . . ?
C45 C46 C41 C42 0.0(17) . . . . ?
N14 N15 C60 C58 -173.3(8) . . . . ?
C59 C58 C60 N15 13.1(15) . . . . ?
C59 C58 C57 C56 0.4(16) . . . . ?
C59 C54 C55 C56 -0.3(17) . . . . ?
N6 C22 N5 N4 15.7(12) . . . . ?
N6 C22 C23 C24 -2.1(15) . . . . ?
C73 N8 N9 Ho2 -35.6(10) . . . . ?
C73 N8 N9 C72 157.0(9) . . . . ?
C73 N7 C77 C76 1.8(14) . . . . ?
C54 C55 C56 C57 -2.7(17) . . . . ?
C32 C31 C30 C29 -0.2(19) . . . . ?
O29 N19 O28 Ho1 -171.6(8) . . . . ?
C50 C51 C52 N25 -3.1(18) . . . . ?
C50 C49 C48 N25 2.7(19) . . . . ?
C50 C49 C48 N24 -179.8(12) . . . . ?
C44 C45 C47 N23 -167.6(12) . . . . ?
C44 C45 C46 O8 -176.0(10) . . . . ?
C44 C45 C46 C41 1.4(16) . . . . ?
C14 O3 C15 C16 4.8(14) . . . . ?
C14 O3 C15 C20 -175.1(9) . . . . ?
C67 C71 C70 C72 162.4(9) . . . . ?
C67 C71 C70 C69 -4.7(15) . . . . ?
C67 C80 C68 C69 -4.9(18) . . . . ?
C52 C51 C50 C49 6.2(19) . . . . ?
C52 N25 C48 C49 0.6(15) . . . . ?
C52 N25 C48 N24 -176.9(9) . . . . ?
N12 C39 C38 C37 -2.7(17) . . . . ?
N12 C35 C36 C37 -4.1(18) . . . . ?
C8 C6 C5 C4 -176.4(11) . . . . ?
N24 N23 C47 C45 -176.1(10) . . . . ?
C9 N2 N1 Ho1 -15.9(11) . . . . ?
C9 N2 N1 C8 162.2(10) . . . . ?
C9 C10 C11 C12 -2.9(16) . . . . ?
C10 C11 C12 C13 2.1(16) . . . . ?
C60 N15 N14 C61 151.3(9) . . . . ?
C60 C58 C59 O9 -8.4(15) . . . . ?
C60 C58 C59 C54 167.5(9) . . . . ?
C60 C58 C57 C56 -171.1(9) . . . . ?
C48 C49 C50 C51 -6.0(19) . . . . ?
C48 N25 C52 C51 -0.3(15) . . . . ?
N11 N10 C34 C32 -178.2(10) . . . . ?
N11 C35 C36 C37 176.6(11) . . . . ?
C2 C7 C6 C8 177.7(10) . . . . ?
C2 C7 C6 C5 -2.1(16) . . . . ?
C61 N13 C65 C64 -4.8(18) . . . . ?
C61 C62 C63 C64 -1(2) . . . . ?
C40 O7 C41 C42 5.7(15) . . . . ?
C40 O7 C41 C46 -172.1(9) . . . . ?
C36 C37 C38 C39 2.4(18) . . . . ?
C18 C17 C16 C15 1.9(15) . . . . ?
C18 C19 C20 O4 -175.1(8) . . . . ?
C18 C19 C20 C15 1.7(13) . . . . ?
C28 C29 C30 C31 -2.9(19) . . . . ?
C72 C70 C69 C68 -167.3(10) . . . . ?
C57 C58 C59 O9 -179.2(9) . . . . ?
C57 C58 C59 C54 -3.3(15) . . . . ?
C57 C58 C60 N15 -175.4(10) . . . . ?
C26 C25 C24 C23 -0.7(15) . . . . ?
C31 C32 C33 O6 176.9(10) . . . . ?
C31 C32 C33 C28 -2.1(15) . . . . ?
C31 C32 C34 N10 -177.2(11) . . . . ?
C23 C22 N5 N4 -163.8(8) . . . . ?
C23 C22 N6 Ho2 -170.9(7) . . . . ?
C23 C22 N6 C26 -1.2(13) . . . . ?
C1 O1 C2 C7 166.1(9) . . . . ?
C1 O1 C2 C3 -13.9(14) . . . . ?
C47 N23 N24 C48 167.4(10) . . . . ?
C47 C45 C44 C43 177.2(13) . . . . ?
C47 C45 C46 O8 9.3(18) . . . . ?
C47 C45 C46 C41 -173.3(11) . . . . ?
C33 C32 C31 C30 2.8(17) . . . . ?
C33 C32 C34 N10 6.1(18) . . . . ?
C33 C28 C29 C30 3.7(19) . . . . ?
C29 C28 C33 O6 179.8(11) . . . . ?
C29 C28 C33 C32 -1.1(16) . . . . ?
C24 C25 C26 N6 -2.7(16) . . . . ?
C3 C4 C5 C6 -3(2) . . . . ?
C65 N13 C61 N14 -177.4(10) . . . . ?
C65 N13 C61 C62 7.0(17) . . . . ?
C65 C64 C63 C62 2(2) . . . . ?
C34 N10 N11 C35 173.4(10) . . . . ?
C34 C32 C31 C30 -174.0(11) . . . . ?
C34 C32 C33 O6 -6.6(16) . . . . ?
C34 C32 C33 C28 174.4(10) . . . . ?
C77 N7 C73 N8 179.3(9) . . . . ?
C77 N7 C73 C74 -0.9(15) . . . . ?
C46 C45 C44 C43 2(2) . . . . ?
C46 C45 C47 N23 7.2(19) . . . . ?
C5 C6 C8 N1 -177.8(10) . . . . ?
C5 C4 C3 C2 0.5(19) . . . . ?
C38 C39 N12 Ho6 172.5(8) . . . . ?
C38 C39 N12 C35 -0.5(16) . . . . ?
C38 C37 C36 C35 0.7(18) . . . . ?
C53 O10 C54 C59 178.3(9) . . . . ?
C53 O10 C54 C55 -0.9(15) . . . . ?
C27 O5 C28 C33 165.3(10) . . . . ?
C27 O5 C28 C29 -8.0(16) . . . . ?
C69 C70 C72 N9 -175.4(10) . . . . ?
C43 C42 C41 O7 177.7(11) . . . . ?
C43 C42 C41 C46 -4.7(19) . . . . ?
C74 C75 C76 C77 -0.7(17) . . . . ?
C41 C42 C43 C44 8(2) . . . . ?
C12 C13 N3 Ho1 173.2(8) . . . . ?
C12 C13 N3 C9 -0.3(15) . . . . ?
C76 C75 C74 C73 1.5(18) . . . . ?
C63 C62 C61 N13 -4(2) . . . . ?
C63 C62 C61 N14 179.9(13) . . . . ?
C63 C64 C65 N13 0(2) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.962 -0.174 -0.915 1597.8 595.4 ?

_olex2_submission_special_instructions 'No special instructions were received'
_database_code_depnum_ccdc_archive 'CCDC 1027761'
#######################################################################
#
#                 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
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#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
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data_Er7
_vrf_PLAT019_Er7                 
;
PROBLEM: _diffrn_measured_fraction_theta_full/_max < 1.0 0.977 Report
RESPONSE: Significant disorder in these structures leads to weak diffraction spots, and therefore prevents 100% completeness. 
;
_vrf_PLAT342_Er7                 
;
PROBLEM: Low Bond Precision on C-C Bonds ............... 0.0241 Ang.
RESPONSE: Significant disorder results in many weak reflections, and as a consequence a low C-C bond precision.
;
_vrf_PLAT430_Er7                 
;
PROBLEM: Short Inter D...A Contact O1B .. O7 .. 2.75 Ang.
RESPONSE: This nitrate counterion has large ADPs caused by heavy disorder. 
;
_audit_creation_date             2014-10-30
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.09.19 svn.r3010 for OlexSys, GUI svn.r4874)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C78 H72 Er7 N22 O32, 3(N O3)'
_chemical_formula_sum            'C78 H72 Er7 N25 O41'
_chemical_formula_weight         3186.42
_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'
Er Er -0.2586 4.9576 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   14.963(5)
_cell_length_b                   16.133(5)
_cell_length_c                   24.357(5)
_cell_angle_alpha                104.800(5)
_cell_angle_beta                 96.154(5)
_cell_angle_gamma                93.300(5)
_cell_volume                     5630(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    6646
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.646
_cell_measurement_theta_min      2.433
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    5.246
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  -1.000000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS v.2.10 (Bruker,2003) was used for absorption correction.
R(int) was 0.3718 before and 0.0000 after correction.
The Ratio of minimum to maximum transmission is -1.0000.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.880
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3038
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0961
_diffrn_reflns_av_unetI/netI     0.1936
_diffrn_reflns_Laue_measured_fraction_full 0.965
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            45097
_diffrn_reflns_point_group_measured_fraction_full 0.965
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.240
_diffrn_reflns_theta_max         25.024
_diffrn_reflns_theta_min         4.083
_diffrn_reflns_v_R_equivalents   ?
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.988
_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                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11932
_reflns_number_total             19658
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         3.047
_refine_diff_density_min         -2.649
_refine_diff_density_rms         0.258
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1270
_refine_ls_number_reflns         19658
_refine_ls_number_restraints     2287
_refine_ls_R_factor_all          0.1266
_refine_ls_R_factor_gt           0.0755
_refine_ls_restrained_S_all      1.060
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0715P)²+23.1720P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1674
_refine_ls_wR_factor_ref         0.1809
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 O1C-N1A \\sim N1A-O1B
 with sigma of 0.02
 O1B-N1A \\sim N1A-O1A
 with sigma of 0.02
 O1A-N1A \\sim N1A-O1C
 with sigma of 0.02
 O1C-O1B \\sim O1B-O1A
 with sigma of 0.02
 O1F-N1B \\sim N1B-O1D
 with sigma of 0.02
 O1D-N1B \\sim N1B-O1E
 with sigma of 0.02
 O1E-N1B \\sim N1B-O1F
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C56) = Uanis(C58) = Uanis(C55) = Uanis(C57)
Uanis(C32) = Uanis(C30) = Uanis(C31) = Uanis(C33)
Uanis(O16) = Uanis(C44)
Uanis(N15) = Uanis(C63) = Uanis(C59)
Uanis(O17) = Uanis(C51)
Uanis(O1C) = Uanis(N1A) = Uanis(O1A) = Uanis(O1B)
Uanis(N1B) = Uanis(O1F) = Uanis(O1E) = Uanis(O1D)
4. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5.a Aromatic/amide H refined with riding coordinates:
 N2(H2), N5(H5), N8(H8), N11(H11), N14(H14), N17(H17), C3(H3), C4(H4), C5(H5A),
  C8(H8A), C10(H10), C11(H11A), C12(H12), C13(H13), C16(H16), C17(H17A),
 C18(H18), C21(H21), C23(H23), C24(H24), C25(H25), C28(H28), C29(H29), C30(H30),
  C33(H33), C35(H35), C36(H36), C37(H37), C40(H40), C41(H41), C42(H42),
 C45(H45), C47(H47), C48(H48), C49(H49), C50(H50), C53(H53), C54(H54), C55(H55),
  C58(H58), C60(H60), C61(H61), C62(H62), C63(H63), C66(H66), C67(H67),
 C68(H68), C71(H71), C73(H73), C74(H74), C75(H75), C76(H76), C77(H77), C78(H78)
5.b Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C14(H14A,H14B,H14C), C26(H26A,H26B,H26C), C38(H38A,H38B,
 H38C), C51(H51A,H51B,H51C), C64(H64A,H64B,H64C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Er1 Er 0.28680(5) 0.40018(4) 0.32633(3) 0.02388(18) Uani 1 1 d . . . . .
Er2 Er 0.36290(5) 0.34472(4) 0.17907(3) 0.02566(19) Uani 1 1 d . . . . .
Er3 Er 0.36634(7) 0.10164(5) 0.12798(3) 0.0430(3) Uani 1 1 d . . . . .
Er4 Er 0.19721(6) -0.01145(5) 0.17752(3) 0.0386(2) Uani 1 1 d . . . . .
Er5 Er 0.17756(5) 0.03171(4) 0.33612(3) 0.02608(19) Uani 1 1 d . . . . .
Er6 Er 0.29900(5) 0.25348(4) 0.41259(3) 0.02218(18) Uani 1 1 d . . . . .
Er7 Er 0.29459(8) 0.18414(5) 0.26247(3) 0.0547(3) Uani 1 1 d . . . . .
O1 O 0.3378(8) 0.0514(6) 0.2112(4) 0.040(2) Uani 1 1 d . . . . .
O2 O 0.2322(9) 0.1251(7) 0.1677(4) 0.041(2) Uani 1 1 d . . . . .
O3 O 0.1646(8) 0.0902(6) 0.2598(4) 0.034(2) Uani 1 1 d . . . . .
O4 O 0.3097(7) 0.1223(6) 0.3434(4) 0.029(2) Uani 1 1 d . . . . .
O5 O 0.2130(7) 0.2678(6) 0.3307(4) 0.028(2) Uani 1 1 d . . . . .
O6 O 0.3753(7) 0.2950(6) 0.3379(4) 0.032(2) Uani 1 1 d . . . . .
O7 O 0.2554(8) 0.3098(6) 0.2334(4) 0.034(2) Uani 1 1 d . . . . .
O8 O 0.4053(8) 0.2244(6) 0.2057(4) 0.034(2) Uani 1 1 d . . . . .
O9 O 0.1393(9) -0.1403(8) 0.0991(5) 0.055(3) Uani 1 1 d . . . . .
O10 O 0.2637(9) -0.0214(7) 0.0950(4) 0.044(2) Uani 1 1 d . . . . .
O11 O 0.1709(8) 0.1258(7) 0.0483(5) 0.041(3) Uani 1 1 d . . . . .
O12 O 0.3189(8) 0.2250(6) 0.1005(4) 0.033(2) Uani 1 1 d . . . . .
O13 O 0.3840(7) 0.4432(6) 0.2689(4) 0.027(2) Uani 1 1 d . . . . .
O14 O 0.4458(7) 0.4754(6) 0.3748(4) 0.031(2) Uani 1 1 d . . . . .
O15 O 0.2734(8) 0.5435(6) 0.3888(4) 0.032(2) Uani 1 1 d . . . . .
O16 O 0.2773(7) 0.3988(6) 0.4207(4) 0.0255(18) Uani 1 1 d . . . . .
O17 O 0.0842(7) 0.3049(6) 0.4190(4) 0.0252(19) Uani 1 1 d . . . . .
O18 O 0.1682(7) 0.1600(6) 0.4065(4) 0.0236(19) Uani 1 1 d . . . . .
O19 O 0.1982(8) -0.0715(6) 0.2536(4) 0.031(2) Uani 1 1 d . . . . .
O20 O 0.2997(8) -0.1365(6) 0.1770(4) 0.036(2) Uani 1 1 d . . . . .
O21 O 0.5193(10) 0.0770(9) 0.1809(6) 0.065(3) Uani 1 1 d . . . . .
O22 O 0.4688(11) -0.0155(9) 0.1046(6) 0.068(3) Uani 1 1 d . . . . .
O23 O 0.6076(12) -0.0209(9) 0.1414(6) 0.080(4) Uani 1 1 d . . . . .
O24 O 0.0371(10) -0.0611(10) 0.1881(6) 0.069(3) Uani 1 1 d . . . . .
O25 O -0.0806(14) -0.0103(14) 0.1505(9) 0.122(7) Uani 1 1 d . . . . .
O26 O 0.0578(10) 0.0294(9) 0.1363(6) 0.065(3) Uani 1 1 d . . . . .
O27 O 0.4616(7) 0.2141(6) 0.4186(4) 0.034(2) Uani 1 1 d . . . . .
O28 O 0.4299(7) 0.3260(6) 0.4807(4) 0.022(2) Uani 1 1 d . . . . .
O29 O 0.5644(8) 0.2810(7) 0.4899(5) 0.039(3) Uani 1 1 d . . . . .
O30 O 0.2028(7) 0.4890(7) 0.2704(4) 0.032(2) Uani 1 1 d . . . . .
O31 O 0.1278(8) 0.4164(7) 0.3168(5) 0.041(3) Uani 1 1 d . . . . .
O32 O 0.0640(10) 0.5074(12) 0.2764(9) 0.103(7) Uani 1 1 d . . . . .
N1 N 0.3681(11) 0.0513(9) 0.0223(6) 0.045(3) Uani 1 1 d . . . . .
N2 N 0.4288(12) 0.0970(10) -0.0017(6) 0.060(4) Uani 1 1 d . . . . .
H2 H 0.4233 0.0925 -0.0387 0.072 Uiso 1 1 calc R . . . .
N3 N 0.5030(12) 0.1587(9) 0.0908(6) 0.051(3) Uani 1 1 d . . . . .
N4 N 0.4463(10) 0.3569(8) 0.0974(5) 0.036(3) Uani 1 1 d . . . . .
N5 N 0.5240(10) 0.4106(9) 0.1138(5) 0.039(3) Uani 1 1 d . . . . .
H5 H 0.5444 0.4370 0.0896 0.047 Uiso 1 1 calc R . . . .
N6 N 0.5299(9) 0.3861(8) 0.2023(5) 0.032(3) Uani 1 1 d . . . . .
N7 N 0.3696(9) 0.4978(8) 0.1702(5) 0.028(2) Uani 1 1 d . . . . .
N8 N 0.3250(9) 0.5023(8) 0.1202(5) 0.032(3) Uani 1 1 d . . . . .
H8 H 0.3463 0.5370 0.1012 0.039 Uiso 1 1 calc R . . . .
N9 N 0.2331(9) 0.3879(9) 0.1252(5) 0.036(3) Uani 1 1 d . . . . .
N10 N 0.2561(8) 0.3178(8) 0.5110(5) 0.024(2) Uani 1 1 d . . . . .
N11 N 0.2547(10) 0.2631(8) 0.5462(5) 0.035(3) Uani 1 1 d . . . . .
H11 H 0.2269 0.2765 0.5769 0.042 Uiso 1 1 calc R . . . .
N12 N 0.3328(9) 0.1671(8) 0.4860(5) 0.027(2) Uani 1 1 d . . . . .
N13 N 0.1703(9) -0.0001(8) 0.4303(5) 0.027(2) Uani 1 1 d . . . . .
N14 N 0.2062(9) -0.0765(7) 0.4352(5) 0.028(3) Uani 1 1 d . . . . .
H14 H 0.1837 -0.1085 0.4557 0.034 Uiso 1 1 calc R . . . .
N15 N 0.2920(9) -0.0608(7) 0.3637(5) 0.0278(17) Uani 1 1 d . . . . .
N16 N 0.0735(9) -0.1020(8) 0.3236(5) 0.030(3) Uani 1 1 d . . . . .
N17 N -0.0077(9) -0.0869(8) 0.3455(5) 0.032(3) Uani 1 1 d . . . . .
H17 H -0.0358 -0.1239 0.3602 0.038 Uiso 1 1 calc R . . . .
N18 N 0.0151(9) 0.0514(8) 0.3364(5) 0.031(2) Uani 1 1 d . . . . .
N19 N 0.1273(10) 0.4729(10) 0.2857(6) 0.044(3) Uani 1 1 d . . . . .
N20 N 0.0027(15) -0.0127(12) 0.1584(7) 0.070(4) Uani 1 1 d . . . . .
N21 N 0.4878(9) 0.2745(8) 0.4635(5) 0.027(2) Uani 1 1 d . . . . .
N22 N 0.5327(15) 0.0139(12) 0.1431(8) 0.068(4) Uani 1 1 d . . . . .
C1 C 0.0829(14) -0.2122(12) 0.1023(7) 0.059(6) Uani 1 1 d . . . . .
H1A H 0.0319 -0.2236 0.0719 0.089 Uiso 1 1 calc GR . . . .
H1B H 0.0604 -0.1999 0.1397 0.089 Uiso 1 1 calc GR . . . .
H1C H 0.1176 -0.2627 0.0977 0.089 Uiso 1 1 calc GR . . . .
C2 C 0.1615(14) -0.1394(11) 0.0448(7) 0.046(4) Uani 1 1 d . . . . .
C3 C 0.1142(16) -0.1929(14) -0.0024(8) 0.074(6) Uani 1 1 d . . . . .
H3 H 0.0699 -0.2360 0.0001 0.089 Uiso 1 1 calc R . . . .
C4 C 0.1337(16) -0.1818(15) -0.0557(9) 0.073(6) Uani 1 1 d . . . . .
H4 H 0.1023 -0.2184 -0.0901 0.088 Uiso 1 1 calc R . . . .
C5 C 0.1973(15) -0.1190(14) -0.0584(8) 0.067(5) Uani 1 1 d . . . . .
H5A H 0.2095 -0.1134 -0.0948 0.080 Uiso 1 1 calc R . . . .
C6 C 0.2452(14) -0.0625(12) -0.0090(7) 0.050(4) Uani 1 1 d . . . . .
C7 C 0.2309(14) -0.0716(11) 0.0440(7) 0.046(4) Uani 1 1 d . . . . .
C8 C 0.3131(15) -0.0068(12) -0.0159(7) 0.053(4) Uani 1 1 d . . . . .
H8A H 0.3219 -0.0109 -0.0546 0.063 Uiso 1 1 calc R . . . .
C9 C 0.4958(16) 0.1482(13) 0.0346(8) 0.061(5) Uani 1 1 d . . . . .
C10 C 0.5640(16) 0.1934(12) 0.0095(9) 0.061(5) Uani 1 1 d . . . . .
H10 H 0.5569 0.1887 -0.0304 0.073 Uiso 1 1 calc R . . . .
C11 C 0.6349(18) 0.2403(15) 0.0431(10) 0.079(6) Uani 1 1 d . . . . .
H11A H 0.6789 0.2706 0.0285 0.095 Uiso 1 1 calc R . . . .
C12 C 0.6409(17) 0.2425(14) 0.0996(10) 0.072(5) Uani 1 1 d . . . . .
H12 H 0.6937 0.2703 0.1241 0.087 Uiso 1 1 calc R . . . .
C13 C 0.5759(14) 0.2075(11) 0.1219(8) 0.051(4) Uani 1 1 d . . . . .
H13 H 0.5813 0.2176 0.1624 0.061 Uiso 1 1 calc R . . . .
C14 C 0.0890(13) 0.0781(12) 0.0217(8) 0.054(5) Uani 1 1 d . . . . .
H14A H 0.0424 0.1175 0.0187 0.081 Uiso 1 1 calc GR . . . .
H14B H 0.0705 0.0397 0.0446 0.081 Uiso 1 1 calc GR . . . .
H14C H 0.0970 0.0438 -0.0166 0.081 Uiso 1 1 calc GR . . . .
C15 C 0.2131(12) 0.1753(11) 0.0183(6) 0.036(4) Uani 1 1 d . . . . .
C16 C 0.1788(15) 0.1728(14) -0.0390(7) 0.063(6) Uani 1 1 d . . . . .
H16 H 0.1250 0.1383 -0.0573 0.075 Uiso 1 1 calc R . . . .
C17 C 0.2236(17) 0.2195(16) -0.0662(8) 0.084(8) Uani 1 1 d . . . . .
H17A H 0.2068 0.2114 -0.1060 0.101 Uiso 1 1 calc R . . . .
C18 C 0.2938(15) 0.2796(14) -0.0385(8) 0.062(5) Uani 1 1 d . . . . .
H18 H 0.3160 0.3210 -0.0564 0.074 Uiso 1 1 calc R . . . .
C19 C 0.3343(13) 0.2790(11) 0.0197(7) 0.040(4) Uani 1 1 d . . . . .
C20 C 0.2855(12) 0.2261(10) 0.0468(6) 0.032(3) Uani 1 1 d . . . . .
C21 C 0.4121(12) 0.3340(11) 0.0417(7) 0.038(4) Uani 1 1 d . . . . .
H21 H 0.4430 0.3567 0.0159 0.046 Uiso 1 1 calc R . . . .
C22 C 0.5691(12) 0.4234(10) 0.1657(7) 0.033(3) Uani 1 1 d . . . . .
C23 C 0.6546(14) 0.4725(13) 0.1822(8) 0.059(5) Uani 1 1 d . . . . .
H23 H 0.6800 0.5013 0.1573 0.070 Uiso 1 1 calc R . . . .
C24 C 0.5771(12) 0.3954(10) 0.2526(7) 0.035(3) Uani 1 1 d . . . . .
H24 H 0.5532 0.3656 0.2775 0.042 Uiso 1 1 calc R . . . .
C25 C 0.6574(12) 0.4443(11) 0.2722(8) 0.046(4) Uani 1 1 d . . . . .
H25 H 0.6834 0.4551 0.3110 0.055 Uiso 1 1 calc R . . . .
C26 C 0.4767(12) 0.4924(10) 0.4352(6) 0.033(4) Uani 1 1 d . . . . .
H26A H 0.5416 0.4860 0.4407 0.049 Uiso 1 1 calc GR . . . .
H26B H 0.4442 0.4514 0.4513 0.049 Uiso 1 1 calc GR . . . .
H26C H 0.4653 0.5512 0.4548 0.049 Uiso 1 1 calc GR . . . .
C27 C 0.4758(10) 0.5340(9) 0.3460(6) 0.022(3) Uani 1 1 d . . . . .
C28 C 0.5377(11) 0.6057(10) 0.3730(6) 0.032(4) Uani 1 1 d . . . . .
H28 H 0.5600 0.6183 0.4125 0.039 Uiso 1 1 calc R . . . .
C29 C 0.5641(12) 0.6565(10) 0.3387(6) 0.033(4) Uani 1 1 d . . . . .
H29 H 0.6074 0.7044 0.3547 0.040 Uiso 1 1 calc R . . . .
C30 C 0.5300(10) 0.6399(9) 0.2835(6) 0.0249(16) Uani 1 1 d . . . . .
H30 H 0.5497 0.6765 0.2613 0.030 Uiso 1 1 calc R . . . .
C31 C 0.4656(11) 0.5695(9) 0.2573(6) 0.0249(16) Uani 1 1 d . . . . .
C32 C 0.4442(11) 0.5112(9) 0.2905(6) 0.0249(16) Uani 1 1 d . . . . .
C33 C 0.4241(10) 0.5606(9) 0.2003(6) 0.0249(16) Uani 1 1 d . . . . .
H33 H 0.4384 0.6056 0.1832 0.030 Uiso 1 1 calc R . . . .
C34 C 0.2467(12) 0.4524(11) 0.0998(7) 0.040(4) Uani 1 1 d . . . . .
C35 C 0.1904(14) 0.4725(13) 0.0576(8) 0.060(5) Uani 1 1 d . . . . .
H35 H 0.2044 0.5175 0.0405 0.071 Uiso 1 1 calc R . . . .
C36 C 0.1510(14) 0.3387(14) 0.1081(10) 0.074(6) Uani 1 1 d . . . . .
H36 H 0.1391 0.2917 0.1238 0.089 Uiso 1 1 calc R . . . .
C37 C 0.0848(16) 0.3564(15) 0.0683(11) 0.083(7) Uani 1 1 d . . . . .
H37 H 0.0264 0.3266 0.0601 0.100 Uiso 1 1 calc R . . . .
C38 C 0.2867(11) 0.6249(9) 0.3763(6) 0.030(4) Uani 1 1 d . . . . .
H38A H 0.2364 0.6591 0.3872 0.045 Uiso 1 1 calc GR . . . .
H38B H 0.2896 0.6158 0.3352 0.045 Uiso 1 1 calc GR . . . .
H38C H 0.3433 0.6555 0.3978 0.045 Uiso 1 1 calc GR . . . .
C39 C 0.2525(10) 0.5484(9) 0.4444(6) 0.021(3) Uani 1 1 d . . . . .
C40 C 0.2286(11) 0.6213(10) 0.4815(6) 0.033(4) Uani 1 1 d . . . . .
H40 H 0.2249 0.6733 0.4702 0.039 Uiso 1 1 calc R . . . .
C41 C 0.2106(13) 0.6180(11) 0.5341(7) 0.041(5) Uani 1 1 d . . . . .
H41 H 0.1957 0.6686 0.5600 0.049 Uiso 1 1 calc R . . . .
C42 C 0.2134(11) 0.5433(10) 0.5507(6) 0.033(4) Uani 1 1 d . . . . .
H42 H 0.1992 0.5421 0.5876 0.039 Uiso 1 1 calc R . . . .
C43 C 0.2374(12) 0.4678(10) 0.5131(6) 0.036(4) Uani 1 1 d . . . . .
C44 C 0.2581(11) 0.4706(9) 0.4601(6) 0.0255(18) Uani 1 1 d . . . . .
C45 C 0.2410(11) 0.3942(9) 0.5356(6) 0.027(3) Uani 1 1 d . . . . .
H45 H 0.2306 0.4038 0.5744 0.033 Uiso 1 1 calc R . . . .
C46 C 0.2943(11) 0.1910(10) 0.5343(6) 0.028(3) Uani 1 1 d . . . . .
C47 C 0.3009(11) 0.1413(9) 0.5753(6) 0.029(3) Uani 1 1 d . . . . .
H47 H 0.2751 0.1593 0.6099 0.035 Uiso 1 1 calc R . . . .
C48 C 0.3439(11) 0.0688(9) 0.5646(7) 0.031(3) Uani 1 1 d . . . . .
H48 H 0.3444 0.0333 0.5903 0.037 Uiso 1 1 calc R . . . .
C49 C 0.3882(11) 0.0457(10) 0.5152(7) 0.033(3) Uani 1 1 d . . . . .
H49 H 0.4223 -0.0030 0.5087 0.040 Uiso 1 1 calc R . . . .
C50 C 0.3814(11) 0.0941(9) 0.4773(7) 0.031(3) Uani 1 1 d . . . . .
H50 H 0.4103 0.0782 0.4437 0.038 Uiso 1 1 calc R . . . .
C51 C 0.0376(10) 0.3770(9) 0.4244(6) 0.0252(19) Uani 1 1 d . . . . .
H51A H -0.0228 0.3610 0.4029 0.038 Uiso 1 1 calc GR . . . .
H51B H 0.0701 0.4190 0.4092 0.038 Uiso 1 1 calc GR . . . .
H51C H 0.0325 0.4024 0.4649 0.038 Uiso 1 1 calc GR . . . .
C52 C 0.0653(10) 0.2536(9) 0.4551(6) 0.022(3) Uani 1 1 d . . . . .
C53 C 0.0114(10) 0.2729(10) 0.4972(6) 0.026(3) Uani 1 1 d . . . . .
H53 H -0.0141 0.3266 0.5043 0.031 Uiso 1 1 calc R . . . .
C54 C -0.0077(12) 0.2186(11) 0.5296(7) 0.037(4) Uani 1 1 d . . . . .
H54 H -0.0481 0.2325 0.5574 0.045 Uiso 1 1 calc R . . . .
C55 C 0.0340(10) 0.1415(10) 0.5207(6) 0.0259(16) Uani 1 1 d . . . . .
H55 H 0.0236 0.1039 0.5441 0.031 Uiso 1 1 calc R . . . .
C56 C 0.0910(10) 0.1186(10) 0.4779(6) 0.0259(16) Uani 1 1 d . . . . .
C57 C 0.1091(10) 0.1751(10) 0.4445(6) 0.0259(16) Uani 1 1 d . . . . .
C58 C 0.1314(10) 0.0372(9) 0.4740(6) 0.0259(16) Uani 1 1 d . . . . .
H58 H 0.1291 0.0107 0.5045 0.031 Uiso 1 1 calc R . . . .
C59 C 0.2769(11) -0.0981(9) 0.4068(6) 0.0278(17) Uani 1 1 d . . . . .
C60 C 0.3352(11) -0.1590(9) 0.4199(6) 0.031(3) Uani 1 1 d . . . . .
H60 H 0.3253 -0.1864 0.4492 0.037 Uiso 1 1 calc R . . . .
C61 C 0.4050(12) -0.1764(10) 0.3892(6) 0.035(4) Uani 1 1 d . . . . .
H61 H 0.4446 -0.2167 0.3977 0.042 Uiso 1 1 calc R . . . .
C62 C 0.4215(13) -0.1392(10) 0.3466(7) 0.038(4) Uani 1 1 d . . . . .
H62 H 0.4717 -0.1522 0.3262 0.046 Uiso 1 1 calc R . . . .
C63 C 0.3637(11) -0.0830(9) 0.3345(6) 0.0278(17) Uani 1 1 d . . . . .
H63 H 0.3735 -0.0578 0.3042 0.033 Uiso 1 1 calc R . . . .
C64 C 0.3555(12) -0.1707(10) 0.1343(7) 0.038(4) Uani 1 1 d . . . . .
H64A H 0.4039 -0.1988 0.1508 0.057 Uiso 1 1 calc GR . . . .
H64B H 0.3818 -0.1239 0.1205 0.057 Uiso 1 1 calc GR . . . .
H64C H 0.3192 -0.2128 0.1023 0.057 Uiso 1 1 calc GR . . . .
C65 C 0.2618(12) -0.1935(9) 0.2046(7) 0.032(4) Uani 1 1 d . . . . .
C66 C 0.2767(12) -0.2812(10) 0.1910(7) 0.037(4) Uani 1 1 d . . . . .
H66 H 0.3166 -0.3045 0.1644 0.044 Uiso 1 1 calc R . . . .
C67 C 0.2285(12) -0.3333(10) 0.2194(7) 0.036(4) Uani 1 1 d . . . . .
H67 H 0.2349 -0.3933 0.2116 0.043 Uiso 1 1 calc R . . . .
C68 C 0.1756(12) -0.2976(10) 0.2561(7) 0.039(4) Uani 1 1 d . . . . .
H68 H 0.1444 -0.3335 0.2746 0.047 Uiso 1 1 calc R . . . .
C69 C 0.1616(11) -0.2093(9) 0.2704(6) 0.029(3) Uani 1 1 d . . . . .
C70 C 0.2055(11) -0.1548(9) 0.2456(6) 0.023(3) Uani 1 1 d . . . . .
C71 C 0.0856(11) -0.1820(10) 0.3038(6) 0.033(3) Uani 1 1 d . . . . .
H71 H 0.0451 -0.2248 0.3106 0.039 Uiso 1 1 calc R . . . .
C72 C -0.0415(12) -0.0103(11) 0.3427(6) 0.034(3) Uani 1 1 d . . . . .
C73 C -0.1343(14) -0.0027(13) 0.3470(8) 0.057(5) Uani 1 1 d . . . . .
H73 H -0.1734 -0.0476 0.3525 0.068 Uiso 1 1 calc R . . . .
C74 C -0.1607(15) 0.0678(14) 0.3430(9) 0.063(5) Uani 1 1 d . . . . .
H74 H -0.2230 0.0740 0.3459 0.076 Uiso 1 1 calc R . . . .
C75 C -0.1128(13) 0.1368(13) 0.3351(8) 0.053(4) Uani 1 1 d . . . . .
H75 H -0.1382 0.1879 0.3311 0.063 Uiso 1 1 calc R . . . .
C76 C -0.0220(12) 0.1240(10) 0.3335(7) 0.037(4) Uani 1 1 d . . . . .
H76 H 0.0170 0.1705 0.3300 0.045 Uiso 1 1 calc R . . . .
C77 C 0.1072(17) 0.4167(17) 0.0424(12) 0.100(8) Uani 1 1 d . . . . .
H77 H 0.0657 0.4235 0.0118 0.120 Uiso 1 1 calc R . . . .
C78 C 0.6982(15) 0.4764(13) 0.2345(9) 0.060(5) Uani 1 1 d . . . . .
H78 H 0.7584 0.5022 0.2448 0.072 Uiso 1 1 calc R . . . .
O36 O 0.1899(8) 0.3442(8) 0.6535(5) 0.049(3) Uani 1 1 d . . . . .
O37 O 0.1482(9) 0.2199(8) 0.6639(6) 0.061(4) Uani 1 1 d . . . . .
O38 O 0.0792(13) 0.3287(10) 0.6998(9) 0.120(8) Uani 1 1 d . . . . .
N24 N 0.1403(11) 0.2980(10) 0.6748(7) 0.054(4) Uani 1 1 d . . . . .
N1A N 0.016(2) 0.236(3) 0.2099(18) 0.233(9) Uani 1 1 d . . . . .
O1A O -0.057(2) 0.263(3) 0.2057(13) 0.233(9) Uani 1 1 d . . . . .
O1B O 0.075(2) 0.273(3) 0.1937(14) 0.233(9) Uani 1 1 d . . . . .
O1C O 0.042(2) 0.205(2) 0.2473(12) 0.233(9) Uani 1 1 d . . . . .
O1D O 0.4923(14) -0.0542(17) 0.2452(8) 0.154(6) Uani 1 1 d . . . . .
N1B N 0.5286(16) 0.0116(15) 0.2888(10) 0.154(6) Uani 1 1 d . . . . .
O1E O 0.4904(14) 0.0847(18) 0.3145(8) 0.154(6) Uani 1 1 d . . . . .
O1F O 0.6112(15) -0.0010(17) 0.3035(8) 0.154(6) 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
Er1 Er6 3.5435(12) . ?
Er1 Er7 3.4492(14) . ?
Er1 O5 2.378(10) . ?
Er1 O6 2.267(11) . ?
Er1 O7 2.340(9) . ?
Er1 O13 2.318(10) . ?
Er1 O14 2.619(10) . ?
Er1 O15 2.454(9) . ?
Er1 O16 2.323(9) . ?
Er1 O30 2.515(11) . ?
Er1 O31 2.401(12) . ?
Er1 N19 2.909(16) . ?
Er2 Er3 3.8044(15) . ?
Er2 Er7 3.8357(13) . ?
Er2 O7 2.322(10) . ?
Er2 O8 2.299(10) . ?
Er2 O12 2.350(10) . ?
Er2 O13 2.329(9) . ?
Er2 N4 2.500(12) . ?
Er2 N6 2.515(14) . ?
Er2 N7 2.531(12) . ?
Er2 N9 2.461(14) . ?
Er3 Er4 3.5267(14) . ?
Er3 Er7 3.5138(12) . ?
Er3 O1 2.435(10) . ?
Er3 O2 2.329(12) . ?
Er3 O8 2.358(10) . ?
Er3 O10 2.348(12) . ?
Er3 O12 2.378(10) . ?
Er3 O21 2.606(15) . ?
Er3 O22 2.494(14) . ?
Er3 N1 2.496(13) . ?
Er3 N3 2.542(16) . ?
Er4 Er7 3.4424(13) . ?
Er4 O1 2.256(12) . ?
Er4 O2 2.313(11) . ?
Er4 O3 2.359(10) . ?
Er4 O9 2.476(11) . ?
Er4 O10 2.312(11) . ?
Er4 O19 2.300(10) . ?
Er4 O20 2.602(11) . ?
Er4 O24 2.542(15) . ?
Er4 O26 2.416(14) . ?
Er4 N20 2.90(2) . ?
Er5 Er6 3.8331(13) . ?
Er5 Er7 3.8421(13) . ?
Er5 O3 2.285(9) . ?
Er5 O4 2.352(10) . ?
Er5 O18 2.348(9) . ?
Er5 O19 2.322(9) . ?
Er5 N13 2.487(12) . ?
Er5 N15 2.485(12) . ?
Er5 N16 2.520(13) . ?
Er5 N18 2.471(14) . ?
Er6 Er7 3.5320(12) . ?
Er6 O4 2.371(9) . ?
Er6 O5 2.326(10) . ?
Er6 O6 2.459(10) . ?
Er6 O16 2.347(9) . ?
Er6 O18 2.369(10) . ?
Er6 O27 2.549(11) . ?
Er6 O28 2.451(10) . ?
Er6 N10 2.523(11) . ?
Er6 N12 2.561(12) . ?
Er6 N21 2.926(14) . ?
Er7 O1 2.352(10) . ?
Er7 O2 2.328(10) . ?
Er7 O3 2.381(11) . ?
Er7 O4 2.422(10) . ?
Er7 O5 2.356(10) . ?
Er7 O6 2.372(10) . ?
Er7 O7 2.394(11) . ?
Er7 O8 2.431(10) . ?
O9 C1 1.42(2) . ?
O9 C2 1.40(2) . ?
O10 C7 1.321(18) . ?
O11 C14 1.41(2) . ?
O11 C15 1.382(19) . ?
O12 C20 1.355(17) . ?
O13 C32 1.336(17) . ?
O14 C26 1.446(16) . ?
O14 C27 1.394(17) . ?
O15 C38 1.430(17) . ?
O15 C39 1.406(16) . ?
O16 C44 1.369(15) . ?
O17 C51 1.375(16) . ?
O17 C52 1.390(17) . ?
O18 C57 1.335(17) . ?
O19 C70 1.320(16) . ?
O20 C64 1.423(17) . ?
O20 C65 1.398(18) . ?
O21 N22 1.228(19) . ?
O22 N22 1.24(2) . ?
O23 N22 1.28(2) . ?
O24 N20 1.29(2) . ?
O25 N20 1.24(2) . ?
O26 N20 1.28(2) . ?
O27 N21 1.274(15) . ?
O28 N21 1.264(15) . ?
O29 N21 1.238(16) . ?
O30 N19 1.260(17) . ?
O31 N19 1.325(17) . ?
O32 N19 1.157(18) . ?
N1 N2 1.40(2) . ?
N1 C8 1.31(2) . ?
N2 C9 1.34(3) . ?
N3 C9 1.33(2) . ?
N3 C13 1.34(2) . ?
N4 N5 1.367(18) . ?
N4 C21 1.346(19) . ?
N5 C22 1.33(2) . ?
N6 C22 1.358(19) . ?
N6 C24 1.32(2) . ?
N7 N8 1.345(16) . ?
N7 C33 1.275(18) . ?
N8 C34 1.35(2) . ?
N9 C34 1.35(2) . ?
N9 C36 1.39(2) . ?
N10 N11 1.379(16) . ?
N10 C45 1.270(18) . ?
N11 C46 1.316(19) . ?
N12 C46 1.344(18) . ?
N12 C50 1.401(19) . ?
N13 N14 1.401(16) . ?
N13 C58 1.295(18) . ?
N14 C59 1.339(19) . ?
N15 C59 1.368(18) . ?
N15 C63 1.366(19) . ?
N16 N17 1.387(17) . ?
N16 C71 1.289(19) . ?
N17 C72 1.38(2) . ?
N18 C72 1.321(19) . ?
N18 C76 1.34(2) . ?
C2 C3 1.35(2) . ?
C2 C7 1.47(3) . ?
C3 C4 1.41(3) . ?
C4 C5 1.37(3) . ?
C5 C6 1.40(3) . ?
C6 C7 1.38(2) . ?
C6 C8 1.37(3) . ?
C9 C10 1.49(3) . ?
C10 C11 1.33(3) . ?
C11 C12 1.36(3) . ?
C12 C13 1.33(3) . ?
C15 C16 1.43(2) . ?
C15 C20 1.33(2) . ?
C16 C17 1.32(3) . ?
C17 C18 1.38(3) . ?
C18 C19 1.48(2) . ?
C19 C20 1.42(2) . ?
C19 C21 1.39(2) . ?
C22 C23 1.43(2) . ?
C23 C78 1.35(3) . ?
C24 C25 1.37(2) . ?
C25 C78 1.35(2) . ?
C27 C28 1.41(2) . ?
C27 C32 1.333(19) . ?
C28 C29 1.38(2) . ?
C29 C30 1.34(2) . ?
C30 C31 1.41(2) . ?
C31 C32 1.43(2) . ?
C31 C33 1.43(2) . ?
C34 C35 1.37(2) . ?
C35 C77 1.45(3) . ?
C36 C37 1.40(3) . ?
C37 C77 1.33(3) . ?
C39 C40 1.380(19) . ?
C39 C44 1.407(19) . ?
C40 C41 1.35(2) . ?
C41 C42 1.37(2) . ?
C42 C43 1.41(2) . ?
C43 C44 1.369(19) . ?
C43 C45 1.43(2) . ?
C46 C47 1.43(2) . ?
C47 C48 1.35(2) . ?
C48 C49 1.41(2) . ?
C49 C50 1.35(2) . ?
C52 C53 1.358(19) . ?
C52 C57 1.44(2) . ?
C53 C54 1.36(2) . ?
C54 C55 1.40(2) . ?
C55 C56 1.41(2) . ?
C56 C57 1.40(2) . ?
C56 C58 1.46(2) . ?
C59 C60 1.42(2) . ?
C60 C61 1.35(2) . ?
C61 C62 1.36(2) . ?
C62 C63 1.35(2) . ?
C65 C66 1.41(2) . ?
C65 C70 1.42(2) . ?
C66 C67 1.43(2) . ?
C67 C68 1.30(2) . ?
C68 C69 1.41(2) . ?
C69 C70 1.36(2) . ?
C69 C71 1.49(2) . ?
C72 C73 1.41(2) . ?
C73 C74 1.25(3) . ?
C74 C75 1.36(3) . ?
C75 C76 1.39(2) . ?
O36 N24 1.261(18) . ?
O37 N24 1.235(18) . ?
O38 N24 1.212(19) . ?
N1A O1A 1.21(2) . ?
N1A O1B 1.19(2) . ?
N1A O1C 1.18(2) . ?
O1D N1B 1.335(17) . ?
N1B O1E 1.373(17) . ?
N1B O1F 1.292(17) . ?

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
Er7 Er1 Er6 60.66(3) . . ?
O5 Er1 Er6 40.6(2) . . ?
O5 Er1 Er7 43.0(2) . . ?
O5 Er1 O14 129.9(3) . . ?
O5 Er1 O15 126.6(3) . . ?
O5 Er1 O30 118.0(4) . . ?
O5 Er1 O31 73.4(4) . . ?
O5 Er1 N19 97.1(4) . . ?
O6 Er1 Er6 43.5(2) . . ?
O6 Er1 Er7 43.1(3) . . ?
O6 Er1 O5 62.8(4) . . ?
O6 Er1 O7 81.9(4) . . ?
O6 Er1 O13 90.6(4) . . ?
O6 Er1 O14 72.9(4) . . ?
O6 Er1 O15 131.3(4) . . ?
O6 Er1 O16 77.3(3) . . ?
O6 Er1 O30 155.2(3) . . ?
O6 Er1 O31 136.2(4) . . ?
O6 Er1 N19 156.7(4) . . ?
O7 Er1 Er6 103.0(3) . . ?
O7 Er1 Er7 43.9(3) . . ?
O7 Er1 O5 71.3(3) . . ?
O7 Er1 O14 125.4(3) . . ?
O7 Er1 O15 145.7(4) . . ?
O7 Er1 O30 75.6(4) . . ?
O7 Er1 O31 84.4(4) . . ?
O7 Er1 N19 80.2(4) . . ?
O13 Er1 Er6 133.4(3) . . ?
O13 Er1 Er7 93.5(2) . . ?
O13 Er1 O5 136.1(3) . . ?
O13 Er1 O7 70.9(3) . . ?
O13 Er1 O14 62.0(3) . . ?
O13 Er1 O15 97.2(3) . . ?
O13 Er1 O16 141.7(4) . . ?
O13 Er1 O30 72.2(3) . . ?
O13 Er1 O31 123.4(4) . . ?
O13 Er1 N19 97.5(4) . . ?
O14 Er1 Er6 90.9(2) . . ?
O14 Er1 Er7 112.1(2) . . ?
O14 Er1 N19 130.1(4) . . ?
O15 Er1 Er6 107.9(2) . . ?
O15 Er1 Er7 168.1(2) . . ?
O15 Er1 O14 69.1(3) . . ?
O15 Er1 O30 70.1(3) . . ?
O15 Er1 N19 69.4(4) . . ?
O16 Er1 Er6 40.9(2) . . ?
O16 Er1 Er7 101.2(2) . . ?
O16 Er1 O5 69.3(3) . . ?
O16 Er1 O7 140.4(3) . . ?
O16 Er1 O14 79.7(3) . . ?
O16 Er1 O15 67.1(3) . . ?
O16 Er1 O30 127.2(3) . . ?
O16 Er1 O31 87.7(4) . . ?
O16 Er1 N19 107.9(4) . . ?
O30 Er1 Er6 153.1(2) . . ?
O30 Er1 Er7 118.3(2) . . ?
O30 Er1 O14 112.0(3) . . ?
O30 Er1 N19 25.6(3) . . ?
O31 Er1 Er6 100.9(3) . . ?
O31 Er1 Er7 102.6(3) . . ?
O31 Er1 O14 144.7(4) . . ?
O31 Er1 O15 75.6(4) . . ?
O31 Er1 O30 52.3(4) . . ?
O31 Er1 N19 26.8(4) . . ?
N19 Er1 Er6 127.7(3) . . ?
N19 Er1 Er7 114.2(3) . . ?
Er1 Er2 Er3 108.57(2) . . ?
Er1 Er2 Er7 53.83(2) . . ?
Er3 Er2 Er7 54.76(2) . . ?
O7 Er2 Er1 35.9(2) . . ?
O7 Er2 Er3 83.2(2) . . ?
O7 Er2 Er7 36.2(3) . . ?
O7 Er2 O12 94.7(3) . . ?
O7 Er2 O13 71.0(3) . . ?
O7 Er2 N4 163.4(4) . . ?
O7 Er2 N6 132.0(4) . . ?
O7 Er2 N7 115.5(4) . . ?
O7 Er2 N9 83.8(4) . . ?
O8 Er2 Er1 82.3(2) . . ?
O8 Er2 Er3 35.7(2) . . ?
O8 Er2 Er7 37.0(3) . . ?
O8 Er2 O7 73.2(4) . . ?
O8 Er2 O12 72.4(4) . . ?
O8 Er2 O13 99.0(3) . . ?
O8 Er2 N4 107.4(4) . . ?
O8 Er2 N6 81.3(4) . . ?
O8 Er2 N7 159.7(4) . . ?
O8 Er2 N9 138.2(4) . . ?
O12 Er2 Er1 129.9(3) . . ?
O12 Er2 Er3 36.7(3) . . ?
O12 Er2 Er7 82.0(2) . . ?
O12 Er2 N4 70.3(4) . . ?
O12 Er2 N6 115.6(4) . . ?
O12 Er2 N7 122.7(4) . . ?
O12 Er2 N9 75.4(4) . . ?
O13 Er2 Er1 35.4(2) . . ?
O13 Er2 Er3 133.9(2) . . ?
O13 Er2 Er7 84.0(2) . . ?
O13 Er2 O12 165.2(3) . . ?
O13 Er2 N4 124.4(4) . . ?
O13 Er2 N6 73.8(4) . . ?
O13 Er2 N7 68.9(4) . . ?
O13 Er2 N9 105.9(4) . . ?
N4 Er2 Er1 159.7(3) . . ?
N4 Er2 Er3 88.2(3) . . ?
N4 Er2 Er7 141.8(3) . . ?
N4 Er2 N6 63.4(4) . . ?
N4 Er2 N7 69.9(4) . . ?
N6 Er2 Er1 101.7(3) . . ?
N6 Er2 Er3 99.1(3) . . ?
N6 Er2 Er7 109.2(3) . . ?
N6 Er2 N7 79.6(4) . . ?
N7 Er2 Er1 94.8(3) . . ?
N7 Er2 Er3 156.3(3) . . ?
N7 Er2 Er7 148.2(3) . . ?
N9 Er2 Er1 99.2(3) . . ?
N9 Er2 Er3 108.6(3) . . ?
N9 Er2 Er7 113.0(3) . . ?
N9 Er2 N4 85.5(5) . . ?
N9 Er2 N6 137.5(4) . . ?
N9 Er2 N7 62.1(4) . . ?
Er4 Er3 Er2 113.00(3) . . ?
Er7 Er3 Er2 63.07(2) . . ?
Er7 Er3 Er4 58.54(3) . . ?
O1 Er3 Er2 104.0(2) . . ?
O1 Er3 Er4 39.4(3) . . ?
O1 Er3 Er7 41.9(2) . . ?
O1 Er3 O21 70.8(4) . . ?
O1 Er3 O22 87.6(4) . . ?
O1 Er3 N1 142.5(4) . . ?
O1 Er3 N3 136.5(5) . . ?
O2 Er3 Er2 74.1(3) . . ?
O2 Er3 Er4 40.4(3) . . ?
O2 Er3 Er7 41.0(3) . . ?
O2 Er3 O1 59.1(4) . . ?
O2 Er3 O8 76.3(4) . . ?
O2 Er3 O10 69.5(4) . . ?
O2 Er3 O12 76.7(4) . . ?
O2 Er3 O21 126.2(4) . . ?
O2 Er3 O22 138.6(4) . . ?
O2 Er3 N1 121.7(5) . . ?
O2 Er3 N3 149.8(4) . . ?
O8 Er3 Er2 34.7(3) . . ?
O8 Er3 Er4 102.1(3) . . ?
O8 Er3 Er7 43.6(3) . . ?
O8 Er3 O1 76.1(3) . . ?
O8 Er3 O12 70.9(3) . . ?
O8 Er3 O21 73.6(4) . . ?
O8 Er3 O22 122.0(5) . . ?
O8 Er3 N1 141.2(4) . . ?
O8 Er3 N3 83.4(4) . . ?
O10 Er3 Er2 138.9(3) . . ?
O10 Er3 Er4 40.4(3) . . ?
O10 Er3 Er7 98.7(3) . . ?
O10 Er3 O1 73.0(4) . . ?
O10 Er3 O8 142.3(4) . . ?
O10 Er3 O12 114.7(4) . . ?
O10 Er3 O21 114.7(4) . . ?
O10 Er3 O22 77.9(5) . . ?
O10 Er3 N1 73.3(4) . . ?
O10 Er3 N3 134.3(4) . . ?
O12 Er3 Er2 36.2(2) . . ?
O12 Er3 Er4 114.2(3) . . ?
O12 Er3 Er7 89.1(2) . . ?
O12 Er3 O1 129.7(4) . . ?
O12 Er3 O21 130.4(4) . . ?
O12 Er3 O22 142.2(4) . . ?
O12 Er3 N1 80.1(4) . . ?
O12 Er3 N3 75.8(4) . . ?
O21 Er3 Er2 102.0(3) . . ?
O21 Er3 Er4 106.1(3) . . ?
O21 Er3 Er7 88.3(3) . . ?
O22 Er3 Er2 143.1(4) . . ?
O22 Er3 Er4 98.3(3) . . ?
O22 Er3 Er7 125.5(3) . . ?
O22 Er3 O21 48.6(5) . . ?
O22 Er3 N1 69.5(5) . . ?
O22 Er3 N3 71.4(5) . . ?
N1 Er3 Er2 112.2(3) . . ?
N1 Er3 Er4 113.1(4) . . ?
N1 Er3 Er7 162.0(4) . . ?
N1 Er3 O21 109.7(5) . . ?
N1 Er3 N3 64.6(5) . . ?
N3 Er3 Er2 76.5(3) . . ?
N3 Er3 Er4 169.7(3) . . ?
N3 Er3 Er7 126.6(3) . . ?
N3 Er3 O21 66.7(5) . . ?
Er7 Er4 Er3 60.54(3) . . ?
O1 Er4 Er3 43.2(3) . . ?
O1 Er4 Er7 42.7(3) . . ?
O1 Er4 O2 62.0(4) . . ?
O1 Er4 O3 81.0(4) . . ?
O1 Er4 O9 132.3(4) . . ?
O1 Er4 O10 77.1(4) . . ?
O1 Er4 O19 90.1(4) . . ?
O1 Er4 O20 74.0(4) . . ?
O1 Er4 O24 153.9(4) . . ?
O1 Er4 O26 136.7(5) . . ?
O1 Er4 N20 154.0(5) . . ?
O2 Er4 Er3 40.7(3) . . ?
O2 Er4 Er7 42.3(2) . . ?
O2 Er4 O3 71.4(3) . . ?
O2 Er4 O9 126.0(4) . . ?
O2 Er4 O20 129.7(4) . . ?
O2 Er4 O24 121.0(5) . . ?
O2 Er4 O26 74.9(5) . . ?
O2 Er4 N20 97.5(5) . . ?
O3 Er4 Er3 103.1(3) . . ?
O3 Er4 Er7 43.7(3) . . ?
O3 Er4 O9 146.0(4) . . ?
O3 Er4 O20 125.6(3) . . ?
O3 Er4 O24 76.4(4) . . ?
O3 Er4 O26 82.1(4) . . ?
O3 Er4 N20 77.0(4) . . ?
O9 Er4 Er3 107.5(3) . . ?
O9 Er4 Er7 167.3(3) . . ?
O9 Er4 O20 69.1(4) . . ?
O9 Er4 O24 69.6(4) . . ?
O9 Er4 N20 72.1(5) . . ?
O10 Er4 Er3 41.2(3) . . ?
O10 Er4 Er7 101.5(3) . . ?
O10 Er4 O2 70.4(4) . . ?
O10 Er4 O3 141.6(4) . . ?
O10 Er4 O9 66.4(4) . . ?
O10 Er4 O20 77.5(4) . . ?
O10 Er4 O24 129.0(4) . . ?
O10 Er4 O26 92.7(5) . . ?
O10 Er4 N20 112.8(5) . . ?
O19 Er4 Er3 132.6(3) . . ?
O19 Er4 Er7 92.9(2) . . ?
O19 Er4 O2 134.8(3) . . ?
O19 Er4 O3 69.5(3) . . ?
O19 Er4 O9 99.1(4) . . ?
O19 Er4 O10 140.8(4) . . ?
O19 Er4 O20 63.3(3) . . ?
O19 Er4 O24 69.9(4) . . ?
O19 Er4 O26 120.2(5) . . ?
O19 Er4 N20 95.0(5) . . ?
O20 Er4 Er3 90.4(2) . . ?
O20 Er4 Er7 113.2(2) . . ?
O20 Er4 N20 130.8(5) . . ?
O24 Er4 Er3 156.4(4) . . ?
O24 Er4 Er7 119.2(3) . . ?
O24 Er4 O20 109.3(4) . . ?
O24 Er4 N20 26.3(5) . . ?
O26 Er4 Er3 104.0(4) . . ?
O26 Er4 Er7 101.3(3) . . ?
O26 Er4 O9 76.4(4) . . ?
O26 Er4 O20 145.3(4) . . ?
O26 Er4 O24 52.3(5) . . ?
O26 Er4 N20 26.0(5) . . ?
N20 Er4 Er3 130.0(4) . . ?
N20 Er4 Er7 111.4(4) . . ?
Er4 Er5 Er6 108.38(2) . . ?
Er4 Er5 Er7 53.59(2) . . ?
Er6 Er5 Er7 54.80(2) . . ?
O3 Er5 Er4 35.9(3) . . ?
O3 Er5 Er6 82.4(3) . . ?
O3 Er5 Er7 35.4(3) . . ?
O3 Er5 O4 72.4(4) . . ?
O3 Er5 O18 96.4(3) . . ?
O3 Er5 O19 70.4(3) . . ?
O3 Er5 N13 165.3(4) . . ?
O3 Er5 N15 129.5(4) . . ?
O3 Er5 N16 114.4(4) . . ?
O3 Er5 N18 84.3(4) . . ?
O4 Er5 Er4 82.1(2) . . ?
O4 Er5 Er6 35.9(2) . . ?
O4 Er5 Er7 37.0(2) . . ?
O4 Er5 N13 108.0(4) . . ?
O4 Er5 N15 80.2(4) . . ?
O4 Er5 N16 161.0(4) . . ?
O4 Er5 N18 135.5(4) . . ?
O18 Er5 Er4 131.6(2) . . ?
O18 Er5 Er6 35.8(2) . . ?
O18 Er5 Er7 83.0(2) . . ?
O18 Er5 O4 71.7(3) . . ?
O18 Er5 N13 70.4(3) . . ?
O18 Er5 N15 114.3(4) . . ?
O18 Er5 N16 122.9(4) . . ?
O18 Er5 N18 73.9(4) . . ?
O19 Er5 Er4 34.7(2) . . ?
O19 Er5 Er6 133.0(3) . . ?
O19 Er5 Er7 82.9(2) . . ?
O19 Er5 O4 98.1(3) . . ?
O19 Er5 O18 165.6(3) . . ?
O19 Er5 N13 123.4(4) . . ?
O19 Er5 N15 72.6(4) . . ?
O19 Er5 N16 69.5(4) . . ?
O19 Er5 N18 109.2(4) . . ?
N13 Er5 Er4 158.0(3) . . ?
N13 Er5 Er6 89.8(3) . . ?
N13 Er5 Er7 143.0(3) . . ?
N13 Er5 N16 70.2(4) . . ?
N15 Er5 Er4 99.9(3) . . ?
N15 Er5 Er6 99.4(3) . . ?
N15 Er5 Er7 107.5(3) . . ?
N15 Er5 N13 64.0(4) . . ?
N15 Er5 N16 82.2(4) . . ?
N16 Er5 Er4 93.8(3) . . ?
N16 Er5 Er6 157.0(3) . . ?
N16 Er5 Er7 146.7(3) . . ?
N18 Er5 Er4 100.8(3) . . ?
N18 Er5 Er6 105.1(3) . . ?
N18 Er5 Er7 111.6(3) . . ?
N18 Er5 N13 85.7(4) . . ?
N18 Er5 N15 140.7(4) . . ?
N18 Er5 N16 63.5(4) . . ?
Er7 Er6 Er1 58.35(2) . . ?
O4 Er6 Er1 101.4(2) . . ?
O4 Er6 Er7 43.1(2) . . ?
O4 Er6 O6 75.0(3) . . ?
O4 Er6 O27 70.3(3) . . ?
O4 Er6 O28 121.1(3) . . ?
O4 Er6 N10 144.0(4) . . ?
O4 Er6 N12 85.1(4) . . ?
O4 Er6 N21 95.9(4) . . ?
O5 Er6 Er1 41.7(2) . . ?
O5 Er6 Er7 41.3(2) . . ?
O5 Er6 O4 76.0(3) . . ?
O5 Er6 O6 60.7(4) . . ?
O5 Er6 O16 69.8(3) . . ?
O5 Er6 O18 77.6(3) . . ?
O5 Er6 O27 125.5(3) . . ?
O5 Er6 O28 139.8(3) . . ?
O5 Er6 N10 121.3(4) . . ?
O5 Er6 N12 149.2(4) . . ?
O5 Er6 N21 139.4(3) . . ?
O6 Er6 Er1 39.4(2) . . ?
O6 Er6 Er7 42.1(2) . . ?
O6 Er6 O27 69.7(4) . . ?
O6 Er6 N10 140.5(4) . . ?
O6 Er6 N12 137.1(4) . . ?
O6 Er6 N21 78.7(4) . . ?
O16 Er6 Er1 40.4(2) . . ?
O16 Er6 Er7 98.4(2) . . ?
O16 Er6 O4 141.5(3) . . ?
O16 Er6 O6 73.2(3) . . ?
O16 Er6 O18 116.7(3) . . ?
O16 Er6 O27 116.8(3) . . ?
O16 Er6 O28 78.4(3) . . ?
O16 Er6 N10 72.0(3) . . ?
O16 Er6 N12 133.3(3) . . ?
O16 Er6 N21 98.6(3) . . ?
O18 Er6 Er1 117.0(2) . . ?
O18 Er6 Er7 89.9(2) . . ?
O18 Er6 O4 71.0(3) . . ?
O18 Er6 O6 131.2(3) . . ?
O18 Er6 O27 126.4(3) . . ?
O18 Er6 O28 140.5(3) . . ?
O18 Er6 N10 81.8(4) . . ?
O18 Er6 N12 73.2(4) . . ?
O18 Er6 N21 138.0(3) . . ?
O27 Er6 Er1 105.9(2) . . ?
O27 Er6 Er7 86.4(2) . . ?
O27 Er6 N12 67.8(4) . . ?
O27 Er6 N21 25.7(3) . . ?
O28 Er6 Er1 98.1(2) . . ?
O28 Er6 Er7 125.5(2) . . ?
O28 Er6 O6 87.2(3) . . ?
O28 Er6 O27 50.9(3) . . ?
O28 Er6 N10 68.0(4) . . ?
O28 Er6 N12 71.0(3) . . ?
O28 Er6 N21 25.3(3) . . ?
N10 Er6 Er1 112.0(3) . . ?
N10 Er6 Er7 162.5(3) . . ?
N10 Er6 O27 111.0(4) . . ?
N10 Er6 N12 64.3(4) . . ?
N10 Er6 N21 88.6(4) . . ?
N12 Er6 Er1 169.1(3) . . ?
N12 Er6 Er7 128.0(3) . . ?
N12 Er6 N21 65.8(4) . . ?
N21 Er6 Er1 104.6(2) . . ?
N21 Er6 Er7 107.6(2) . . ?
Er1 Er7 Er3 124.46(3) . . ?
Er1 Er7 Er6 60.99(2) . . ?
Er3 Er7 Er6 160.22(4) . . ?
Er4 Er7 Er1 151.78(4) . . ?
Er4 Er7 Er3 60.92(3) . . ?
Er4 Er7 Er6 124.93(3) . . ?
O1 Er7 Er1 163.7(3) . . ?
O1 Er7 Er3 43.7(2) . . ?
O1 Er7 Er4 40.6(3) . . ?
O1 Er7 Er6 125.7(3) . . ?
O1 Er7 O3 78.6(4) . . ?
O1 Er7 O4 84.6(3) . . ?
O1 Er7 O5 152.1(4) . . ?
O1 Er7 O6 130.9(4) . . ?
O1 Er7 O7 131.8(3) . . ?
O1 Er7 O8 76.3(4) . . ?
O2 Er7 Er1 120.4(3) . . ?
O2 Er7 Er3 41.0(3) . . ?
O2 Er7 Er4 41.9(3) . . ?
O2 Er7 Er6 157.1(3) . . ?
O2 Er7 O1 60.3(4) . . ?
O2 Er7 O3 70.8(4) . . ?
O2 Er7 O4 131.1(3) . . ?
O2 Er7 O5 122.1(4) . . ?
O2 Er7 O6 153.1(4) . . ?
O2 Er7 O7 78.3(3) . . ?
O2 Er7 O8 74.9(4) . . ?
O3 Er7 Er1 117.5(3) . . ?
O3 Er7 Er3 103.0(2) . . ?
O3 Er7 Er4 43.2(2) . . ?
O3 Er7 Er6 88.2(2) . . ?
O3 Er7 O4 69.6(3) . . ?
O3 Er7 O7 111.6(4) . . ?
O3 Er7 O8 144.3(3) . . ?
O4 Er7 Er1 102.9(2) . . ?
O4 Er7 Er3 127.0(2) . . ?
O4 Er7 Er4 89.2(2) . . ?
O4 Er7 Er6 42.0(2) . . ?
O4 Er7 O8 131.6(4) . . ?
O5 Er7 Er1 43.5(2) . . ?
O5 Er7 Er3 157.5(2) . . ?
O5 Er7 Er4 119.4(2) . . ?
O5 Er7 Er6 40.7(2) . . ?
O5 Er7 O3 77.0(3) . . ?
O5 Er7 O4 74.5(3) . . ?
O5 Er7 O6 61.6(4) . . ?
O5 Er7 O7 70.7(3) . . ?
O5 Er7 O8 131.6(3) . . ?
O6 Er7 Er1 40.8(3) . . ?
O6 Er7 Er3 125.0(2) . . ?
O6 Er7 Er4 164.1(3) . . ?
O6 Er7 Er6 44.0(2) . . ?
O6 Er7 O3 131.5(3) . . ?
O6 Er7 O4 75.7(3) . . ?
O6 Er7 O7 78.7(3) . . ?
O6 Er7 O8 84.1(3) . . ?
O7 Er7 Er1 42.6(2) . . ?
O7 Er7 Er3 89.0(2) . . ?
O7 Er7 Er4 117.1(2) . . ?
O7 Er7 Er6 102.2(2) . . ?
O7 Er7 O4 143.6(3) . . ?
O7 Er7 O8 69.6(4) . . ?
O8 Er7 Er1 88.1(2) . . ?
O8 Er7 Er3 42.0(2) . . ?
O8 Er7 Er4 102.9(2) . . ?
O8 Er7 Er6 127.1(2) . . ?
Er4 O1 Er3 97.4(4) . . ?
Er4 O1 Er7 96.7(5) . . ?
Er7 O1 Er3 94.4(4) . . ?
Er4 O2 Er3 98.9(4) . . ?
Er4 O2 Er7 95.8(4) . . ?
Er7 O2 Er3 98.0(5) . . ?
Er4 O3 Er7 93.2(4) . . ?
Er5 O3 Er4 109.5(4) . . ?
Er5 O3 Er7 110.8(4) . . ?
Er5 O4 Er6 108.5(4) . . ?
Er5 O4 Er7 107.1(4) . . ?
Er6 O4 Er7 94.9(3) . . ?
Er6 O5 Er1 97.7(4) . . ?
Er6 O5 Er7 98.0(4) . . ?
Er7 O5 Er1 93.5(3) . . ?
Er1 O6 Er6 97.1(4) . . ?
Er1 O6 Er7 96.0(4) . . ?
Er7 O6 Er6 93.9(4) . . ?
Er1 O7 Er7 93.5(4) . . ?
Er2 O7 Er1 108.5(4) . . ?
Er2 O7 Er7 108.8(4) . . ?
Er2 O8 Er3 109.5(4) . . ?
Er2 O8 Er7 108.4(4) . . ?
Er3 O8 Er7 94.4(4) . . ?
C1 O9 Er4 127.6(10) . . ?
C2 O9 Er4 115.6(11) . . ?
C2 O9 C1 116.7(13) . . ?
Er4 O10 Er3 98.4(4) . . ?
C7 O10 Er3 135.0(11) . . ?
C7 O10 Er4 124.6(12) . . ?
C15 O11 C14 117.4(14) . . ?
Er2 O12 Er3 107.2(4) . . ?
C20 O12 Er2 126.9(9) . . ?
C20 O12 Er3 125.2(9) . . ?
Er1 O13 Er2 109.0(4) . . ?
C32 O13 Er1 120.2(8) . . ?
C32 O13 Er2 130.6(9) . . ?
C26 O14 Er1 124.2(9) . . ?
C27 O14 Er1 110.6(8) . . ?
C27 O14 C26 117.8(11) . . ?
C38 O15 Er1 127.8(8) . . ?
C39 O15 Er1 117.6(8) . . ?
C39 O15 C38 114.6(10) . . ?
Er1 O16 Er6 98.7(3) . . ?
C44 O16 Er1 121.1(8) . . ?
C44 O16 Er6 140.0(8) . . ?
C51 O17 C52 115.7(11) . . ?
Er5 O18 Er6 108.7(4) . . ?
C57 O18 Er5 127.4(9) . . ?
C57 O18 Er6 123.0(9) . . ?
Er4 O19 Er5 110.3(4) . . ?
C70 O19 Er4 120.0(8) . . ?
C70 O19 Er5 129.6(9) . . ?
C64 O20 Er4 126.2(9) . . ?
C65 O20 Er4 109.6(9) . . ?
C65 O20 C64 117.2(11) . . ?
N22 O21 Er3 94.6(13) . . ?
N22 O22 Er3 99.7(12) . . ?
N20 O24 Er4 92.4(13) . . ?
N20 O26 Er4 98.4(13) . . ?
N21 O27 Er6 93.9(8) . . ?
N21 O28 Er6 98.9(8) . . ?
N19 O30 Er1 94.9(9) . . ?
N19 O31 Er1 98.5(9) . . ?
N2 N1 Er3 117.0(11) . . ?
C8 N1 Er3 129.1(13) . . ?
C8 N1 N2 113.5(15) . . ?
C9 N2 N1 116.8(16) . . ?
C9 N3 Er3 115.7(15) . . ?
C9 N3 C13 116.6(18) . . ?
C13 N3 Er3 127.1(12) . . ?
N5 N4 Er2 113.6(9) . . ?
C21 N4 Er2 125.9(11) . . ?
C21 N4 N5 118.5(13) . . ?
C22 N5 N4 121.0(13) . . ?
C22 N6 Er2 116.5(11) . . ?
C24 N6 Er2 125.2(11) . . ?
C24 N6 C22 115.9(15) . . ?
N8 N7 Er2 111.3(9) . . ?
C33 N7 Er2 126.3(10) . . ?
C33 N7 N8 120.4(13) . . ?
N7 N8 C34 118.7(14) . . ?
C34 N9 Er2 118.8(11) . . ?
C34 N9 C36 115.9(16) . . ?
C36 N9 Er2 123.7(13) . . ?
N11 N10 Er6 115.5(8) . . ?
C45 N10 Er6 131.0(10) . . ?
C45 N10 N11 113.3(12) . . ?
C46 N11 N10 120.8(12) . . ?
C46 N12 Er6 116.0(10) . . ?
C46 N12 C50 118.9(13) . . ?
C50 N12 Er6 124.9(10) . . ?
N14 N13 Er5 114.8(8) . . ?
C58 N13 Er5 131.2(10) . . ?
C58 N13 N14 113.6(12) . . ?
C59 N14 N13 115.9(12) . . ?
C59 N15 Er5 117.7(10) . . ?
C63 N15 Er5 123.3(10) . . ?
C63 N15 C59 118.6(13) . . ?
N17 N16 Er5 114.3(9) . . ?
C71 N16 Er5 130.6(12) . . ?
C71 N16 N17 114.9(14) . . ?
C72 N17 N16 115.8(13) . . ?
C72 N18 Er5 120.3(11) . . ?
C72 N18 C76 114.9(15) . . ?
C76 N18 Er5 124.6(11) . . ?
O30 N19 Er1 59.5(8) . . ?
O30 N19 O31 114.0(14) . . ?
O31 N19 Er1 54.7(8) . . ?
O32 N19 Er1 171.6(15) . . ?
O32 N19 O30 123.5(16) . . ?
O32 N19 O31 122.3(15) . . ?
O24 N20 Er4 61.3(12) . . ?
O25 N20 Er4 177.9(17) . . ?
O25 N20 O24 120(2) . . ?
O25 N20 O26 123(2) . . ?
O26 N20 Er4 55.6(11) . . ?
O26 N20 O24 117(2) . . ?
O27 N21 Er6 60.4(7) . . ?
O28 N21 Er6 55.8(7) . . ?
O28 N21 O27 116.0(13) . . ?
O29 N21 Er6 173.2(10) . . ?
O29 N21 O27 122.1(13) . . ?
O29 N21 O28 121.9(12) . . ?
O21 N22 O22 116(2) . . ?
O21 N22 O23 124(2) . . ?
O22 N22 O23 120.0(18) . . ?
O9 C2 C7 115.3(14) . . ?
C3 C2 O9 120.0(19) . . ?
C3 C2 C7 124.4(18) . . ?
C2 C3 C4 117(2) . . ?
C5 C4 C3 121(2) . . ?
C4 C5 C6 122(2) . . ?
C7 C6 C5 120(2) . . ?
C8 C6 C5 117.9(18) . . ?
C8 C6 C7 121.9(18) . . ?
O10 C7 C2 114.8(15) . . ?
O10 C7 C6 128.5(19) . . ?
C6 C7 C2 116.2(16) . . ?
N1 C8 C6 130.3(17) . . ?
N2 C9 C10 117.6(18) . . ?
N3 C9 N2 123(2) . . ?
N3 C9 C10 120(2) . . ?
C11 C10 C9 120(2) . . ?
C10 C11 C12 116(2) . . ?
C13 C12 C11 123(3) . . ?
C12 C13 N3 124(2) . . ?
O11 C15 C16 121.2(16) . . ?
C20 C15 O11 115.9(14) . . ?
C20 C15 C16 122.9(17) . . ?
C17 C16 C15 118.5(19) . . ?
C16 C17 C18 122.0(19) . . ?
C17 C18 C19 119.2(19) . . ?
C20 C19 C18 115.6(16) . . ?
C21 C19 C18 115.7(16) . . ?
C21 C19 C20 128.7(16) . . ?
O12 C20 C19 117.6(15) . . ?
C15 C20 O12 121.8(15) . . ?
C15 C20 C19 120.4(15) . . ?
N4 C21 C19 123.8(15) . . ?
N5 C22 N6 116.3(16) . . ?
N5 C22 C23 122.2(16) . . ?
N6 C22 C23 121.5(16) . . ?
C78 C23 C22 117.7(19) . . ?
N6 C24 C25 125.7(17) . . ?
C78 C25 C24 117.4(19) . . ?
O14 C27 C28 122.5(13) . . ?
C32 C27 O14 112.6(13) . . ?
C32 C27 C28 124.8(14) . . ?
C29 C28 C27 116.2(14) . . ?
C30 C29 C28 121.6(15) . . ?
C29 C30 C31 121.7(15) . . ?
C30 C31 C32 117.4(13) . . ?
C30 C31 C33 119.2(14) . . ?
C33 C31 C32 123.4(14) . . ?
O13 C32 C31 121.0(13) . . ?
C27 C32 O13 120.7(14) . . ?
C27 C32 C31 117.6(14) . . ?
N7 C33 C31 126.0(14) . . ?
N8 C34 N9 114.2(15) . . ?
N8 C34 C35 118.1(18) . . ?
N9 C34 C35 127.7(18) . . ?
C34 C35 C77 112(2) . . ?
N9 C36 C37 122(2) . . ?
C77 C37 C36 117(2) . . ?
O15 C39 C44 113.8(12) . . ?
C40 C39 O15 124.8(13) . . ?
C40 C39 C44 121.4(13) . . ?
C41 C40 C39 119.2(15) . . ?
C40 C41 C42 121.3(15) . . ?
C41 C42 C43 120.2(14) . . ?
C42 C43 C45 115.5(13) . . ?
C44 C43 C42 119.3(15) . . ?
C44 C43 C45 125.2(14) . . ?
O16 C44 C39 119.1(12) . . ?
C43 C44 O16 122.2(13) . . ?
C43 C44 C39 118.5(13) . . ?
N10 C45 C43 129.2(14) . . ?
N11 C46 N12 120.4(14) . . ?
N11 C46 C47 119.1(14) . . ?
N12 C46 C47 120.4(14) . . ?
C48 C47 C46 119.8(15) . . ?
C47 C48 C49 119.9(16) . . ?
C50 C49 C48 119.0(15) . . ?
C49 C50 N12 121.9(15) . . ?
O17 C52 C57 113.8(12) . . ?
C53 C52 O17 125.4(13) . . ?
C53 C52 C57 120.8(14) . . ?
C54 C53 C52 122.8(15) . . ?
C53 C54 C55 118.1(15) . . ?
C54 C55 C56 121.4(15) . . ?
C55 C56 C58 115.8(14) . . ?
C57 C56 C55 119.6(14) . . ?
C57 C56 C58 124.5(14) . . ?
O18 C57 C52 120.5(13) . . ?
O18 C57 C56 122.3(14) . . ?
C56 C57 C52 117.2(13) . . ?
N13 C58 C56 122.3(14) . . ?
N14 C59 N15 118.5(13) . . ?
N14 C59 C60 121.8(14) . . ?
N15 C59 C60 119.8(14) . . ?
C61 C60 C59 117.7(15) . . ?
C60 C61 C62 123.2(16) . . ?
C63 C62 C61 117.6(17) . . ?
C62 C63 N15 123.1(15) . . ?
O20 C65 C66 122.2(14) . . ?
O20 C65 C70 113.8(12) . . ?
C66 C65 C70 124.0(14) . . ?
C65 C66 C67 116.3(15) . . ?
C68 C67 C66 119.2(15) . . ?
C67 C68 C69 124.5(16) . . ?
C68 C69 C71 117.6(15) . . ?
C70 C69 C68 120.1(15) . . ?
C70 C69 C71 121.3(14) . . ?
O19 C70 C65 116.9(13) . . ?
O19 C70 C69 127.3(14) . . ?
C69 C70 C65 115.8(13) . . ?
N16 C71 C69 121.7(15) . . ?
N17 C72 C73 118.0(16) . . ?
N18 C72 N17 117.7(16) . . ?
N18 C72 C73 124.2(17) . . ?
C74 C73 C72 115(2) . . ?
C73 C74 C75 129(2) . . ?
C74 C75 C76 112.0(19) . . ?
N18 C76 C75 125.3(17) . . ?
C37 C77 C35 124(2) . . ?
C25 C78 C23 121(2) . . ?
O37 N24 O36 118.9(16) . . ?
O38 N24 O36 119.6(17) . . ?
O38 N24 O37 120.8(17) . . ?
O1B N1A O1A 115(3) . . ?
O1C N1A O1A 123(5) . . ?
O1C N1A O1B 114(3) . . ?
O1D N1B O1E 129(2) . . ?
O1F N1B O1D 109(2) . . ?
O1F N1B O1E 122(2) . . ?

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
Er1 O13 C32 C27 27.3(18) . . . . ?
Er1 O13 C32 C31 -142.6(11) . . . . ?
Er1 O14 C27 C28 154.3(12) . . . . ?
Er1 O14 C27 C32 -29.8(14) . . . . ?
Er1 O15 C39 C40 -169.2(12) . . . . ?
Er1 O15 C39 C44 11.0(16) . . . . ?
Er1 O16 C44 C39 -6.0(19) . . . . ?
Er1 O16 C44 C43 168.9(13) . . . . ?
Er1 O30 N19 O31 -5.1(14) . . . . ?
Er1 O30 N19 O32 170.8(19) . . . . ?
Er1 O31 N19 O30 5.4(14) . . . . ?
Er1 O31 N19 O32 -170.6(18) . . . . ?
Er2 O12 C20 C15 -133.6(14) . . . . ?
Er2 O12 C20 C19 50.9(19) . . . . ?
Er2 O13 C32 C27 -147.0(11) . . . . ?
Er2 O13 C32 C31 43.2(19) . . . . ?
Er2 N4 N5 C22 27.3(18) . . . . ?
Er2 N4 C21 C19 -18(2) . . . . ?
Er2 N6 C22 N5 -20.0(17) . . . . ?
Er2 N6 C22 C23 160.8(13) . . . . ?
Er2 N6 C24 C25 -156.2(13) . . . . ?
Er2 N7 N8 C34 38.8(16) . . . . ?
Er2 N7 C33 C31 -27(2) . . . . ?
Er2 N9 C34 N8 -17.9(18) . . . . ?
Er2 N9 C34 C35 163.2(15) . . . . ?
Er2 N9 C36 C37 -167.3(17) . . . . ?
Er3 O10 C7 C2 -175.8(11) . . . . ?
Er3 O10 C7 C6 -4(3) . . . . ?
Er3 O12 C20 C15 57(2) . . . . ?
Er3 O12 C20 C19 -118.2(14) . . . . ?
Er3 O21 N22 O22 -9.5(17) . . . . ?
Er3 O21 N22 O23 169.5(17) . . . . ?
Er3 O22 N22 O21 10.0(18) . . . . ?
Er3 O22 N22 O23 -169.0(15) . . . . ?
Er3 N1 N2 C9 17(2) . . . . ?
Er3 N1 C8 C6 -7(3) . . . . ?
Er3 N3 C9 N2 -12(3) . . . . ?
Er3 N3 C9 C10 168.5(14) . . . . ?
Er3 N3 C13 C12 -172.8(15) . . . . ?
Er4 O9 C2 C3 -161.5(16) . . . . ?
Er4 O9 C2 C7 12.3(19) . . . . ?
Er4 O10 C7 C2 -16(2) . . . . ?
Er4 O10 C7 C6 155.7(16) . . . . ?
Er4 O19 C70 C65 35.9(18) . . . . ?
Er4 O19 C70 C69 -140.6(13) . . . . ?
Er4 O20 C65 C66 152.1(14) . . . . ?
Er4 O20 C65 C70 -26.0(16) . . . . ?
Er4 O24 N20 O25 -178.4(18) . . . . ?
Er4 O24 N20 O26 4.0(16) . . . . ?
Er4 O26 N20 O24 -4.3(17) . . . . ?
Er4 O26 N20 O25 178.2(19) . . . . ?
Er5 O18 C57 C52 -135.2(11) . . . . ?
Er5 O18 C57 C56 48.6(19) . . . . ?
Er5 O19 C70 C65 -147.8(11) . . . . ?
Er5 O19 C70 C69 36(2) . . . . ?
Er5 N13 N14 C59 33.8(16) . . . . ?
Er5 N13 C58 C56 -9(2) . . . . ?
Er5 N15 C59 N14 -6.1(18) . . . . ?
Er5 N15 C59 C60 173.1(11) . . . . ?
Er5 N15 C63 C62 -174.2(12) . . . . ?
Er5 N16 N17 C72 32.7(14) . . . . ?
Er5 N16 C71 C69 -15(2) . . . . ?
Er5 N18 C72 N17 -4.0(17) . . . . ?
Er5 N18 C72 C73 175.8(13) . . . . ?
Er5 N18 C76 C75 -178.2(13) . . . . ?
Er6 O16 C44 C39 179.2(10) . . . . ?
Er6 O16 C44 C43 -6(3) . . . . ?
Er6 O18 C57 C52 57.3(17) . . . . ?
Er6 O18 C57 C56 -118.9(13) . . . . ?
Er6 O27 N21 O28 -5.1(12) . . . . ?
Er6 O27 N21 O29 172.6(12) . . . . ?
Er6 O28 N21 O27 5.4(12) . . . . ?
Er6 O28 N21 O29 -172.4(12) . . . . ?
Er6 N10 N11 C46 16.2(18) . . . . ?
Er6 N10 C45 C43 5(3) . . . . ?
Er6 N12 C46 N11 -10.8(19) . . . . ?
Er6 N12 C46 C47 173.3(11) . . . . ?
Er6 N12 C50 C49 -172.4(11) . . . . ?
O9 C2 C3 C4 173.1(18) . . . . ?
O9 C2 C7 O10 1(2) . . . . ?
O9 C2 C7 C6 -171.8(16) . . . . ?
O11 C15 C16 C17 -178(2) . . . . ?
O11 C15 C20 O12 4(2) . . . . ?
O11 C15 C20 C19 179.4(14) . . . . ?
O14 C27 C28 C29 177.6(13) . . . . ?
O14 C27 C32 O13 6(2) . . . . ?
O14 C27 C32 C31 175.9(12) . . . . ?
O15 C39 C40 C41 -179.5(16) . . . . ?
O15 C39 C44 O16 -4(2) . . . . ?
O15 C39 C44 C43 -178.8(14) . . . . ?
O17 C52 C53 C54 177.1(15) . . . . ?
O17 C52 C57 O18 6(2) . . . . ?
O17 C52 C57 C56 -177.9(13) . . . . ?
O20 C65 C66 C67 -175.5(15) . . . . ?
O20 C65 C70 O19 -2(2) . . . . ?
O20 C65 C70 C69 175.1(14) . . . . ?
N1 N2 C9 N3 -3(3) . . . . ?
N1 N2 C9 C10 176.5(15) . . . . ?
N2 N1 C8 C6 -179.3(19) . . . . ?
N2 C9 C10 C11 -176(2) . . . . ?
N3 C9 C10 C11 4(3) . . . . ?
N4 N5 C22 N6 -5(2) . . . . ?
N4 N5 C22 C23 174.0(15) . . . . ?
N5 N4 C21 C19 179.1(16) . . . . ?
N5 C22 C23 C78 -175.2(17) . . . . ?
N6 C22 C23 C78 4(3) . . . . ?
N6 C24 C25 C78 -10(3) . . . . ?
N7 N8 C34 N9 -15(2) . . . . ?
N7 N8 C34 C35 163.6(15) . . . . ?
N8 N7 C33 C31 170.5(14) . . . . ?
N8 C34 C35 C77 -176.7(18) . . . . ?
N9 C34 C35 C77 2(3) . . . . ?
N9 C36 C37 C77 7(4) . . . . ?
N10 N11 C46 N12 -4(2) . . . . ?
N10 N11 C46 C47 172.4(14) . . . . ?
N11 N10 C45 C43 179.8(16) . . . . ?
N11 C46 C47 C48 -177.8(15) . . . . ?
N12 C46 C47 C48 -2(2) . . . . ?
N13 N14 C59 N15 -18(2) . . . . ?
N13 N14 C59 C60 162.3(13) . . . . ?
N14 N13 C58 C56 178.9(13) . . . . ?
N14 C59 C60 C61 -179.7(15) . . . . ?
N15 C59 C60 C61 1(2) . . . . ?
N16 N17 C72 N18 -19.7(19) . . . . ?
N16 N17 C72 C73 160.5(14) . . . . ?
N17 N16 C71 C69 169.9(13) . . . . ?
N17 C72 C73 C74 -178.6(17) . . . . ?
N18 C72 C73 C74 2(3) . . . . ?
C1 O9 C2 C3 15(3) . . . . ?
C1 O9 C2 C7 -170.8(16) . . . . ?
C2 C3 C4 C5 0(3) . . . . ?
C3 C2 C7 O10 174.4(19) . . . . ?
C3 C2 C7 C6 2(3) . . . . ?
C3 C4 C5 C6 -1(4) . . . . ?
C4 C5 C6 C7 2(3) . . . . ?
C4 C5 C6 C8 174(2) . . . . ?
C5 C6 C7 O10 -174.2(19) . . . . ?
C5 C6 C7 C2 -3(3) . . . . ?
C5 C6 C8 N1 -179.4(19) . . . . ?
C7 C2 C3 C4 0(3) . . . . ?
C7 C6 C8 N1 -8(3) . . . . ?
C8 N1 N2 C9 -170.3(17) . . . . ?
C8 C6 C7 O10 14(3) . . . . ?
C8 C6 C7 C2 -174.3(17) . . . . ?
C9 N3 C13 C12 -2(3) . . . . ?
C9 C10 C11 C12 1(3) . . . . ?
C10 C11 C12 C13 -7(3) . . . . ?
C11 C12 C13 N3 8(3) . . . . ?
C13 N3 C9 N2 176.2(18) . . . . ?
C13 N3 C9 C10 -3(3) . . . . ?
C14 O11 C15 C16 -5(2) . . . . ?
C14 O11 C15 C20 173.6(15) . . . . ?
C15 C16 C17 C18 -10(4) . . . . ?
C16 C15 C20 O12 -177.5(16) . . . . ?
C16 C15 C20 C19 -2(3) . . . . ?
C16 C17 C18 C19 14(4) . . . . ?
C17 C18 C19 C20 -12(3) . . . . ?
C17 C18 C19 C21 172(2) . . . . ?
C18 C19 C20 O12 -178.6(15) . . . . ?
C18 C19 C20 C15 6(2) . . . . ?
C18 C19 C21 N4 164.2(17) . . . . ?
C20 C15 C16 C17 4(3) . . . . ?
C20 C19 C21 N4 -12(3) . . . . ?
C21 N4 N5 C22 -168.1(15) . . . . ?
C21 C19 C20 O12 -3(3) . . . . ?
C21 C19 C20 C15 -178.2(18) . . . . ?
C22 N6 C24 C25 5(2) . . . . ?
C22 C23 C78 C25 -8(3) . . . . ?
C24 N6 C22 N5 176.7(14) . . . . ?
C24 N6 C22 C23 -2(2) . . . . ?
C24 C25 C78 C23 11(3) . . . . ?
C26 O14 C27 C28 3(2) . . . . ?
C26 O14 C27 C32 179.0(13) . . . . ?
C27 C28 C29 C30 2(2) . . . . ?
C28 C27 C32 O13 -178.4(14) . . . . ?
C28 C27 C32 C31 -8(2) . . . . ?
C28 C29 C30 C31 0(2) . . . . ?
C29 C30 C31 C32 -6(2) . . . . ?
C29 C30 C31 C33 172.9(14) . . . . ?
C30 C31 C32 O13 179.9(13) . . . . ?
C30 C31 C32 C27 10(2) . . . . ?
C30 C31 C33 N7 175.2(14) . . . . ?
C32 C27 C28 C29 2(2) . . . . ?
C32 C31 C33 N7 -6(2) . . . . ?
C33 N7 N8 C34 -156.4(15) . . . . ?
C33 C31 C32 O13 1(2) . . . . ?
C33 C31 C32 C27 -168.9(14) . . . . ?
C34 N9 C36 C37 -2(3) . . . . ?
C34 C35 C77 C37 4(4) . . . . ?
C36 N9 C34 N8 175.9(16) . . . . ?
C36 N9 C34 C35 -3(3) . . . . ?
C36 C37 C77 C35 -8(4) . . . . ?
C38 O15 C39 C40 12(2) . . . . ?
C38 O15 C39 C44 -167.5(14) . . . . ?
C39 C40 C41 C42 -2(3) . . . . ?
C40 C39 C44 O16 176.5(14) . . . . ?
C40 C39 C44 C43 1(2) . . . . ?
C40 C41 C42 C43 1(3) . . . . ?
C41 C42 C43 C44 0(3) . . . . ?
C41 C42 C43 C45 178.1(17) . . . . ?
C42 C43 C44 O16 -176.6(15) . . . . ?
C42 C43 C44 C39 -2(3) . . . . ?
C42 C43 C45 N10 176.3(16) . . . . ?
C44 C39 C40 C41 0(3) . . . . ?
C44 C43 C45 N10 -6(3) . . . . ?
C45 N10 N11 C46 -159.5(15) . . . . ?
C45 C43 C44 O16 6(3) . . . . ?
C45 C43 C44 C39 -179.1(16) . . . . ?
C46 N12 C50 C49 2(2) . . . . ?
C46 C47 C48 C49 5(2) . . . . ?
C47 C48 C49 C50 -4(2) . . . . ?
C48 C49 C50 N12 1(2) . . . . ?
C50 N12 C46 N11 174.3(14) . . . . ?
C50 N12 C46 C47 -2(2) . . . . ?
C51 O17 C52 C53 -6(2) . . . . ?
C51 O17 C52 C57 174.6(12) . . . . ?
C52 C53 C54 C55 3(3) . . . . ?
C53 C52 C57 O18 -174.1(13) . . . . ?
C53 C52 C57 C56 2(2) . . . . ?
C53 C54 C55 C56 -3(2) . . . . ?
C54 C55 C56 C57 2(2) . . . . ?
C54 C55 C56 C58 178.9(14) . . . . ?
C55 C56 C57 O18 174.5(13) . . . . ?
C55 C56 C57 C52 -2(2) . . . . ?
C55 C56 C58 N13 166.2(14) . . . . ?
C57 C52 C53 C54 -3(2) . . . . ?
C57 C56 C58 N13 -17(2) . . . . ?
C58 N13 N14 C59 -152.5(14) . . . . ?
C58 C56 C57 O18 -2(2) . . . . ?
C58 C56 C57 C52 -178.3(13) . . . . ?
C59 N15 C63 C62 -1(2) . . . . ?
C59 C60 C61 C62 0(3) . . . . ?
C60 C61 C62 C63 -1(3) . . . . ?
C61 C62 C63 N15 2(2) . . . . ?
C63 N15 C59 N14 -179.6(13) . . . . ?
C63 N15 C59 C60 0(2) . . . . ?
C64 O20 C65 C66 -1(2) . . . . ?
C64 O20 C65 C70 -178.7(14) . . . . ?
C65 C66 C67 C68 -1(3) . . . . ?
C66 C65 C70 O19 -179.9(15) . . . . ?
C66 C65 C70 C69 -3(2) . . . . ?
C66 C67 C68 C69 0(3) . . . . ?
C67 C68 C69 C70 -1(3) . . . . ?
C67 C68 C69 C71 167.8(17) . . . . ?
C68 C69 C70 O19 178.5(15) . . . . ?
C68 C69 C70 C65 2(2) . . . . ?
C68 C69 C71 N16 172.8(15) . . . . ?
C70 C65 C66 C67 3(3) . . . . ?
C70 C69 C71 N16 -19(2) . . . . ?
C71 N16 N17 C72 -151.6(13) . . . . ?
C71 C69 C70 O19 10(2) . . . . ?
C71 C69 C70 C65 -166.1(14) . . . . ?
C72 N18 C76 C75 -2(2) . . . . ?
C72 C73 C74 C75 0(4) . . . . ?
C73 C74 C75 C76 -2(3) . . . . ?
C74 C75 C76 N18 3(3) . . . . ?
C76 N18 C72 N17 179.4(13) . . . . ?
C76 N18 C72 C73 -1(2) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.390 -0.192 0.000 1272.8 420.0 ?

_olex2_submission_special_instructions 'No special instructions were received'
_database_code_depnum_ccdc_archive 'CCDC 1027762'
