#------------------------------------------------------------------------------
#$Date: 2019-11-17 10:04:57 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229251 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/54/7045466.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7045466
loop_
_publ_author_name
'Gao, Hong-Ling'
'Huang, Shao-Xia'
'Zhou, Xiao-Pu'
'Liu, Zhen'
'Cui, Jian-Zhong'
_publ_section_title
;
 Magnetic properties and structure of tetranuclear lanthanide complexes
 based on 8-hydroxylquinoline Schiff base derivative and β-diketone
 coligand.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3503
_journal_page_last               3511
_journal_paper_doi               10.1039/c8dt00063h
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C75 H53 Dy2 N9 O8'
_chemical_formula_sum            'C75 H53 Dy2 N9 O8'
_chemical_formula_weight         1533.26
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2018-01-19
_audit_creation_method
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_audit_update_record
;
2018-01-26 deposited with the CCDC.
2018-01-30 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 108.248(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.2543(15)
_cell_length_b                   18.7296(13)
_cell_length_c                   22.2646(18)
_cell_measurement_reflns_used    21641
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     7229.4(10)
_computing_cell_refinement
;
Rigaku CrystalClear-SM Expert 2.1 b42 
;
_computing_data_collection
;
Rigaku CrystalClear-SM Expert 2.1 b42 
;
_computing_data_reduction
;
Rigaku CrystalClear-SM Expert 2.1 b42 
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    shelxs
_diffrn_ambient_temperature      113.15
_diffrn_detector_area_resol_mean 5.8140
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0257
_diffrn_reflns_av_unetI/netI     0.0171
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            91361
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.599
_diffrn_reflns_theta_min         3.009
_exptl_absorpt_coefficient_mu    2.110
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.840
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   CrystalClear
_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    1.409
_exptl_crystal_density_method    "'not measured'"
_exptl_crystal_description       block
_exptl_crystal_F_000             3048
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         2.660
_refine_diff_density_min         -0.666
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     847
_refine_ls_number_reflns         16698
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0353
_refine_ls_R_factor_gt           0.0276
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0415P)²+6.1430P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0699
_refine_ls_wR_factor_ref         0.0741
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14342
_reflns_number_total             16698
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt00063h2.cif
_cod_data_source_block           shelx_sq
_cod_depositor_comments
'Adding full bibliography for 7045466--7045470.cif.'
_cod_database_code               7045466
_shelx_shelxl_version_number     2017/1
_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.
;
_shelx_estimated_absorpt_t_max   0.786
_shelx_estimated_absorpt_t_min   0.678
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All O(H) groups
2.a Ternary CH refined with riding coordinates:
 O8(H8)
2.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C6(H6), C7(H7), C10(H10), C12(H12), C13(H13),
 C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C21(H21), C22(H22), C25(H25),
  C27(H27), C28(H28), C29(H29), C30(H30), C31(H31), C32(H32), C33(H33),
 C36(H36), C37(H37), C40(H40), C42(H42), C43(H43), C44(H44), C45(H45), C46(H46),
  C47(H47), C48(H48), C49(H49), C50(H50), C53(H53), C56(H56), C57(H57),
 C58(H58), C59(H59), C60(H60), C61(H61), C62(H62), C63(H63), C64(H64), C65(H65),
  C68(H68), C71(H71), C72(H72), C73(H73), C74(H74), C75(H75)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
Dy1 Dy 0.40875(2) 0.44637(2) 0.46008(2) 0.02981(4) Uani 1 1 d .
Dy2 Dy 0.46185(2) 0.57943(2) 0.36714(2) 0.03077(4) Uani 1 1 d .
O1 O 0.40792(11) 0.41947(10) 0.56371(9) 0.0346(4) Uani 1 1 d .
O2 O 0.34824(11) 0.51782(10) 0.36742(9) 0.0355(4) Uani 1 1 d .
O3 O 0.48573(11) 0.45727(9) 0.39177(9) 0.0355(4) Uani 1 1 d .
O4 O 0.29142(11) 0.38976(10) 0.43670(10) 0.0397(4) Uani 1 1 d .
O5 O 0.42840(12) 0.32578(9) 0.44662(9) 0.0375(4) Uani 1 1 d .
O6 O 0.40731(11) 0.68011(10) 0.39653(9) 0.0370(4) Uani 1 1 d .
O7 O 0.50237(11) 0.67561(10) 0.32112(9) 0.0381(4) Uani 1 1 d .
O8 O 0.46514(11) 0.56134(9) 0.47158(9) 0.0302(4) Uani 1 1 d .
H8 H 0.433888 0.597543 0.485857 0.036 Uiso 1 1 calc R
N1 N 0.31603(13) 0.52357(12) 0.49593(10) 0.0333(5) Uani 1 1 d .
N2 N 0.17010(14) 0.52960(14) 0.64387(12) 0.0409(5) Uani 1 1 d .
N3 N 0.0225(2) 0.64459(17) 0.77540(18) 0.0678(9) Uani 1 1 d .
N4 N 0.35152(13) 0.58798(12) 0.26348(11) 0.0343(5) Uani 1 1 d .
N5 N 0.08120(18) 0.52824(16) 0.15807(15) 0.0600(8) Uani 1 1 d .
N6 N -0.2027(4) 0.5571(3) 0.0289(4) 0.134(3) Uani 1 1 d .
N7 N 0.52028(14) 0.51328(13) 0.29366(11) 0.0386(5) Uani 1 1 d .
N8 N 0.69005(14) 0.31550(13) 0.29159(11) 0.0410(5) Uani 1 1 d .
N9 N 0.8979(2) 0.18634(17) 0.23215(18) 0.0653(8) Uani 1 1 d .
C1 C 0.27285(16) 0.57611(14) 0.46404(13) 0.0354(6) Uani 1 1 d .
H1 H 0.283235 0.593741 0.427525 0.043 Uiso 1 1 calc R
C2 C 0.21228(17) 0.60734(16) 0.48130(14) 0.0404(6) Uani 1 1 d .
H2 H 0.183054 0.645386 0.457120 0.048 Uiso 1 1 calc R
C3 C 0.19609(16) 0.58218(15) 0.53336(13) 0.0375(6) Uani 1 1 d .
H3 H 0.155758 0.602999 0.545976 0.045 Uiso 1 1 calc R
C4 C 0.23954(15) 0.52515(15) 0.56822(13) 0.0347(6) Uani 1 1 d .
C5 C 0.22637(16) 0.49520(16) 0.62250(13) 0.0385(6) Uani 1 1 d .
C6 C 0.26769(17) 0.43617(17) 0.65001(15) 0.0437(7) Uani 1 1 d .
H6 H 0.255931 0.413754 0.684155 0.052 Uiso 1 1 calc R
C7 C 0.32679(17) 0.40774(16) 0.62939(14) 0.0408(6) Uani 1 1 d .
H7 H 0.353415 0.366195 0.649232 0.049 Uiso 1 1 calc R
C8 C 0.34688(16) 0.43933(15) 0.58057(13) 0.0349(6) Uani 1 1 d .
C9 C 0.29988(15) 0.49727(14) 0.54790(12) 0.0332(5) Uani 1 1 d .
C10 C 0.18020(18) 0.53228(18) 0.70294(15) 0.0458(7) Uani 1 1 d .
H10 H 0.223997 0.509728 0.731439 0.055 Uiso 1 1 calc R
C11 C 0.12510(19) 0.56979(17) 0.72783(16) 0.0454(7) Uani 1 1 d .
C12 C 0.1446(2) 0.5870(2) 0.79074(18) 0.0614(9) Uani 1 1 d .
H12 H 0.193211 0.573230 0.819226 0.074 Uiso 1 1 calc R
C13 C 0.0921(3) 0.6250(2) 0.8122(2) 0.0720(12) Uani 1 1 d .
H13 H 0.106816 0.637608 0.855675 0.086 Uiso 1 1 calc R
C14 C 0.0042(2) 0.6268(2) 0.7144(2) 0.0633(10) Uani 1 1 d .
H14 H -0.045187 0.640179 0.687147 0.076 Uiso 1 1 calc R
C15 C 0.0527(2) 0.59009(19) 0.68859(18) 0.0536(8) Uani 1 1 d .
H15 H 0.036864 0.578907 0.644773 0.064 Uiso 1 1 calc R
C16 C 0.35306(17) 0.62161(15) 0.21166(13) 0.0377(6) Uani 1 1 d .
H16 H 0.398171 0.647752 0.213084 0.045 Uiso 1 1 calc R
C17 C 0.29185(18) 0.62091(16) 0.15466(14) 0.0435(7) Uani 1 1 d .
H17 H 0.297421 0.643067 0.117953 0.052 Uiso 1 1 calc R
C18 C 0.2239(2) 0.58796(17) 0.15241(15) 0.0483(7) Uani 1 1 d .
H18 H 0.181478 0.588083 0.114545 0.058 Uiso 1 1 calc R
C19 C 0.21819(19) 0.55360(15) 0.20774(15) 0.0429(7) Uani 1 1 d .
C20 C 0.14855(19) 0.52254(18) 0.21113(16) 0.0502(7) Uani 1 1 d .
C21 C 0.14986(19) 0.48849(18) 0.26614(17) 0.0522(8) Uani 1 1 d .
H21 H 0.104082 0.466155 0.268432 0.063 Uiso 1 1 calc R
C22 C 0.21636(17) 0.48554(16) 0.31905(15) 0.0430(7) Uani 1 1 d .
H22 H 0.214488 0.460960 0.355863 0.052 Uiso 1 1 calc R
C23 C 0.28430(16) 0.51743(14) 0.31890(13) 0.0343(6) Uani 1 1 d .
C24 C 0.28438(16) 0.55287(13) 0.26155(13) 0.0346(6) Uani 1 1 d .
C25 C 0.0170(2) 0.5398(2) 0.1699(2) 0.0663(11) Uani 1 1 d .
H25 H 0.018185 0.545008 0.212657 0.080 Uiso 1 1 calc R
C26 C -0.0577(3) 0.5451(2) 0.1193(3) 0.0804(14) Uani 1 1 d .
C27 C -0.1232(2) 0.5645(3) 0.1354(3) 0.0953(18) Uani 1 1 d .
H27 H -0.118348 0.573809 0.178384 0.114 Uiso 1 1 calc R
C28 C -0.1933(3) 0.5703(3) 0.0910(4) 0.118(3) Uani 1 1 d .
H28 H -0.236623 0.583758 0.103367 0.141 Uiso 1 1 calc R
C29 C -0.1397(5) 0.5389(4) 0.0119(4) 0.131(3) Uani 1 1 d .
H29 H -0.145282 0.530016 -0.031358 0.157 Uiso 1 1 calc R
C30 C -0.0660(4) 0.5330(3) 0.0576(3) 0.107(2) Uani 1 1 d .
H30 H -0.022437 0.520525 0.045090 0.128 Uiso 1 1 calc R
C31 C 0.53515(19) 0.53930(18) 0.24330(14) 0.0475(8) Uani 1 1 d .
H31 H 0.512857 0.583822 0.226760 0.057 Uiso 1 1 calc R
C32 C 0.58198(19) 0.50457(19) 0.21324(15) 0.0516(8) Uani 1 1 d .
H32 H 0.589539 0.524608 0.176430 0.062 Uiso 1 1 calc R
C33 C 0.61640(19) 0.44219(18) 0.23708(14) 0.0464(7) Uani 1 1 d .
H33 H 0.648979 0.418574 0.217476 0.056 Uiso 1 1 calc R
C34 C 0.60370(17) 0.41247(16) 0.29105(13) 0.0389(6) Uani 1 1 d .
C35 C 0.64175(17) 0.34953(15) 0.32104(13) 0.0378(6) Uani 1 1 d .
C36 C 0.62674(17) 0.32570(14) 0.37445(13) 0.0377(6) Uani 1 1 d .
H36 H 0.652373 0.284182 0.395260 0.045 Uiso 1 1 calc R
C37 C 0.57483(17) 0.36089(14) 0.39894(13) 0.0362(6) Uani 1 1 d .
H37 H 0.565512 0.342124 0.435519 0.043 Uiso 1 1 calc R
C38 C 0.53653(16) 0.42237(14) 0.37142(13) 0.0343(6) Uani 1 1 d .
C39 C 0.55341(17) 0.44967(15) 0.31766(13) 0.0364(6) Uani 1 1 d .
C40 C 0.75264(17) 0.28712(15) 0.32411(14) 0.0402(6) Uani 1 1 d .
H40 H 0.767890 0.289152 0.368977 0.048 Uiso 1 1 calc R
C41 C 0.80224(17) 0.25066(15) 0.29221(15) 0.0416(6) Uani 1 1 d .
C42 C 0.8783(2) 0.23546(19) 0.32547(19) 0.0559(8) Uani 1 1 d .
H42 H 0.898925 0.245548 0.369379 0.067 Uiso 1 1 calc R
C43 C 0.9237(2) 0.2047(2) 0.2922(2) 0.0679(11) Uani 1 1 d .
H43 H 0.976691 0.196617 0.314285 0.081 Uiso 1 1 calc R
C44 C 0.8243(2) 0.1999(2) 0.20144(18) 0.0603(9) Uani 1 1 d .
H44 H 0.804593 0.186418 0.158223 0.072 Uiso 1 1 calc R
C45 C 0.7746(2) 0.23266(18) 0.22886(16) 0.0493(7) Uani 1 1 d .
H45 H 0.722647 0.242519 0.204690 0.059 Uiso 1 1 calc R
C46 C 0.15287(18) 0.38145(18) 0.45988(16) 0.0482(7) Uani 1 1 d .
H46 H 0.178385 0.426175 0.463245 0.058 Uiso 1 1 calc R
C47 C 0.08061(19) 0.3779(2) 0.46778(19) 0.0585(9) Uani 1 1 d .
H47 H 0.057364 0.419815 0.477562 0.070 Uiso 1 1 calc R
C48 C 0.0425(2) 0.3134(2) 0.46142(19) 0.0635(10) Uani 1 1 d .
H48 H -0.006913 0.310831 0.467049 0.076 Uiso 1 1 calc R
C49 C 0.0758(2) 0.2534(2) 0.4471(2) 0.0638(10) Uani 1 1 d .
H49 H 0.048830 0.209287 0.441726 0.077 Uiso 1 1 calc R
C50 C 0.14826(19) 0.25605(18) 0.44018(19) 0.0562(9) Uani 1 1 d .
H50 H 0.171135 0.213756 0.430642 0.067 Uiso 1 1 calc R
C51 C 0.18808(17) 0.32075(16) 0.44719(15) 0.0427(6) Uani 1 1 d .
C52 C 0.26887(17) 0.32708(15) 0.44407(14) 0.0393(6) Uani 1 1 d .
C53 C 0.31537(18) 0.26712(15) 0.45003(16) 0.0448(7) Uani 1 1 d .
H53 H 0.294352 0.222131 0.455593 0.054 Uiso 1 1 calc R
C54 C 0.39130(17) 0.26899(14) 0.44832(13) 0.0373(6) Uani 1 1 d .
C55 C 0.43153(17) 0.20024(14) 0.44465(13) 0.0380(6) Uani 1 1 d .
C56 C 0.41179(18) 0.13579(16) 0.46719(15) 0.0450(7) Uani 1 1 d .
H56 H 0.372525 0.134511 0.486851 0.054 Uiso 1 1 calc R
C57 C 0.4500(2) 0.07361(16) 0.46060(17) 0.0505(8) Uani 1 1 d .
H57 H 0.436263 0.029795 0.475701 0.061 Uiso 1 1 calc R
C58 C 0.5074(2) 0.07414(16) 0.43268(16) 0.0470(7) Uani 1 1 d .
H58 H 0.533025 0.031135 0.428526 0.056 Uiso 1 1 calc R
C59 C 0.52743(19) 0.13761(17) 0.41082(14) 0.0458(7) Uani 1 1 d .
H59 H 0.567238 0.138695 0.391730 0.055 Uiso 1 1 calc R
C60 C 0.48948(19) 0.19966(16) 0.41669(14) 0.0429(7) Uani 1 1 d .
H60 H 0.503469 0.243113 0.401160 0.052 Uiso 1 1 calc R
C61 C 0.32417(18) 0.75994(16) 0.45511(15) 0.0447(7) Uani 1 1 d .
H61 H 0.326958 0.709588 0.460518 0.054 Uiso 1 1 calc R
C62 C 0.27515(19) 0.79916(16) 0.47929(16) 0.0483(7) Uani 1 1 d .
H62 H 0.244301 0.775614 0.500543 0.058 Uiso 1 1 calc R
C63 C 0.27143(18) 0.87249(17) 0.47232(15) 0.0464(7) Uani 1 1 d .
H63 H 0.237550 0.899563 0.488234 0.056 Uiso 1 1 calc R
C64 C 0.3171(2) 0.90601(16) 0.44217(16) 0.0486(7) Uani 1 1 d .
H64 H 0.315416 0.956525 0.438145 0.058 Uiso 1 1 calc R
C65 C 0.36559(18) 0.86712(15) 0.41763(14) 0.0418(6) Uani 1 1 d .
H65 H 0.396658 0.891165 0.396852 0.050 Uiso 1 1 calc R
C66 C 0.36922(16) 0.79308(14) 0.42311(13) 0.0365(6) Uani 1 1 d .
C67 C 0.41707(16) 0.74703(14) 0.39459(13) 0.0351(6) Uani 1 1 d .
C68 C 0.46726(17) 0.77860(16) 0.36607(16) 0.0466(7) Uani 1 1 d .
H68 H 0.475663 0.828582 0.371369 0.056 Uiso 1 1 calc R
C69 C 0.50577(16) 0.74215(15) 0.33052(15) 0.0407(6) Uani 1 1 d .
C70 C 0.55374(18) 0.78427(18) 0.29926(19) 0.0545(9) Uani 1 1 d .
C71 C 0.5775(3) 0.8528(2) 0.3164(4) 0.121(3) Uani 1 1 d .
H71 H 0.563926 0.875314 0.349646 0.145 Uiso 1 1 calc R
C72 C 0.6213(3) 0.8899(3) 0.2854(5) 0.148(4) Uani 1 1 d .
H72 H 0.636853 0.937571 0.297585 0.177 Uiso 1 1 calc R
C73 C 0.6419(2) 0.8595(3) 0.2388(3) 0.108(2) Uani 1 1 d .
H73 H 0.672788 0.884620 0.218549 0.130 Uiso 1 1 calc R
C74 C 0.6183(2) 0.7937(4) 0.2215(2) 0.100(2) Uani 1 1 d .
H74 H 0.631553 0.772055 0.187749 0.120 Uiso 1 1 calc R
C75 C 0.5745(2) 0.7554(3) 0.25145(16) 0.0709(12) Uani 1 1 d .
H75 H 0.559015 0.708024 0.238067 0.085 Uiso 1 1 calc R
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'
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
Dy1 Dy1 Dy2 55.249(5) 3_666 3_666
Dy2 Dy1 Dy1 62.999(5) . 3_666
Dy2 Dy1 Dy2 118.248(5) . 3_666
O1 Dy1 Dy1 85.94(5) . 3_666
O1 Dy1 Dy2 36.00(5) . 3_666
O1 Dy1 Dy2 143.26(5) . .
O1 Dy1 O2 144.05(6) . .
O1 Dy1 O3 145.73(7) . .
O1 Dy1 N1 66.80(6) . .
O2 Dy1 Dy1 101.83(5) . 3_666
O2 Dy1 Dy2 153.25(5) . 3_666
O2 Dy1 Dy2 41.53(4) . .
O2 Dy1 N1 77.37(6) . .
O3 Dy1 Dy1 69.45(5) . 3_666
O3 Dy1 Dy2 110.35(5) . 3_666
O3 Dy1 Dy2 41.11(4) . .
O3 Dy1 O2 67.08(6) . .
O3 Dy1 N1 137.51(6) . .
O4 Dy1 Dy1 164.40(5) . 3_666
O4 Dy1 Dy2 126.50(5) . .
O4 Dy1 Dy2 113.81(5) . 3_666
O4 Dy1 O1 80.37(7) . .
O4 Dy1 O2 85.28(6) . .
O4 Dy1 O3 126.11(7) . .
O4 Dy1 O5 72.09(7) . .
O4 Dy1 O8 141.94(6) . .
O4 Dy1 O8 141.11(6) . 3_666
O4 Dy1 N1 70.62(7) . .
O5 Dy1 Dy1 115.12(5) . 3_666
O5 Dy1 Dy2 86.32(5) . 3_666
O5 Dy1 Dy2 121.65(4) . .
O5 Dy1 O1 88.12(6) . .
O5 Dy1 O2 118.45(7) . .
O5 Dy1 O3 81.66(6) . .
O5 Dy1 O8 145.10(6) . .
O5 Dy1 O8 82.14(7) . 3_666
O5 Dy1 N1 137.76(7) . .
O8 Dy1 Dy1 35.92(4) 3_666 3_666
O8 Dy1 Dy1 35.34(4) . 3_666
O8 Dy1 Dy2 91.71(4) 3_666 .
O8 Dy1 Dy2 40.34(4) . .
O8 Dy1 Dy2 34.09(4) 3_666 3_666
O8 Dy1 Dy2 84.06(4) . 3_666
O8 Dy1 O1 69.95(6) 3_666 .
O8 Dy1 O1 102.93(6) . .
O8 Dy1 O2 133.24(6) 3_666 .
O8 Dy1 O2 69.84(6) . .
O8 Dy1 O3 70.56(6) . .
O8 Dy1 O3 76.27(6) 3_666 .
O8 Dy1 O8 71.26(7) 3_666 .
O8 Dy1 N1 75.98(6) . .
O8 Dy1 N1 116.70(7) 3_666 .
N1 Dy1 Dy1 97.15(5) . 3_666
N1 Dy1 Dy2 96.53(5) . .
N1 Dy1 Dy2 91.04(5) . 3_666
Dy1 Dy2 Dy1 61.751(6) . 3_666
O1 Dy2 Dy1 35.52(4) 3_666 3_666
O1 Dy2 Dy1 91.63(4) 3_666 .
O1 Dy2 N4 157.78(6) 3_666 .
O1 Dy2 N7 83.43(7) 3_666 .
O2 Dy2 Dy1 101.47(4) . 3_666
O2 Dy2 Dy1 42.43(4) . .
O2 Dy2 O1 134.00(6) . 3_666
O2 Dy2 N4 65.79(7) . .
O2 Dy2 N7 107.95(7) . .
O3 Dy2 Dy1 41.52(4) . .
O3 Dy2 Dy1 68.69(5) . 3_666
O3 Dy2 O1 77.58(7) . 3_666
O3 Dy2 O2 68.07(7) . .
O3 Dy2 N4 107.89(7) . .
O3 Dy2 N7 65.95(7) . .
O6 Dy2 Dy1 90.20(5) . 3_666
O6 Dy2 Dy1 100.72(4) . .
O6 Dy2 O1 103.83(7) . 3_666
O6 Dy2 O2 86.68(7) . .
O6 Dy2 O3 141.85(6) . .
O6 Dy2 O8 73.52(6) . .
O6 Dy2 N4 85.25(7) . .
O6 Dy2 N7 151.95(7) . .
O7 Dy2 Dy1 171.21(5) . .
O7 Dy2 Dy1 111.04(5) . 3_666
O7 Dy2 O1 83.51(6) . 3_666
O7 Dy2 O2 141.50(7) . .
O7 Dy2 O3 142.99(6) . .
O7 Dy2 O6 73.50(7) . .
O7 Dy2 O8 130.16(7) . .
O7 Dy2 N4 79.69(7) . .
O7 Dy2 N7 80.61(7) . .
O8 Dy2 Dy1 34.10(5) . 3_666
O8 Dy2 Dy1 41.05(4) . .
O8 Dy2 O1 69.48(6) . 3_666
O8 Dy2 O2 71.14(6) . .
O8 Dy2 O3 71.48(6) . .
O8 Dy2 N4 132.72(7) . .
O8 Dy2 N7 133.39(7) . .
N4 Dy2 Dy1 166.65(5) . 3_666
N4 Dy2 Dy1 106.77(5) . .
N7 Dy2 Dy1 109.36(5) . 3_666
N7 Dy2 Dy1 106.18(5) . .
N7 Dy2 N4 79.60(7) . .
Dy1 O1 Dy2 108.48(7) . 3_666
C8 O1 Dy1 118.39(16) . .
C8 O1 Dy2 124.40(17) . 3_666
Dy2 O2 Dy1 96.04(7) . .
C23 O2 Dy1 138.31(16) . .
C23 O2 Dy2 123.37(15) . .
Dy2 O3 Dy1 97.38(6) . .
C38 O3 Dy1 142.42(16) . .
C38 O3 Dy2 119.78(15) . .
C52 O4 Dy1 135.48(19) . .
C54 O5 Dy1 134.99(18) . .
C67 O6 Dy2 135.74(18) . .
C69 O7 Dy2 134.72(18) . .
Dy1 O8 Dy1 108.74(7) 3_666 .
Dy1 O8 H8 112.3 3_666 .
Dy1 O8 H8 112.3 . .
Dy2 O8 Dy1 98.62(7) . .
Dy2 O8 Dy1 111.81(7) . 3_666
Dy2 O8 H8 112.3 . .
C1 N1 Dy1 126.89(17) . .
C1 N1 C9 118.1(2) . .
C9 N1 Dy1 113.67(17) . .
C10 N2 C5 118.7(3) . .
C13 N3 C14 116.4(3) . .
C16 N4 Dy2 126.39(19) . .
C16 N4 C24 117.5(2) . .
C24 N4 Dy2 116.13(16) . .
C25 N5 C20 116.5(3) . .
C28 N6 C29 118.6(6) . .
C31 N7 Dy2 127.2(2) . .
C31 N7 C39 117.9(2) . .
C39 N7 Dy2 113.41(16) . .
C40 N8 C35 120.7(3) . .
C43 N9 C44 117.2(3) . .
N1 C1 H1 118.3 . .
N1 C1 C2 123.4(2) . .
C2 C1 H1 118.3 . .
C1 C2 H2 120.5 . .
C3 C2 C1 119.1(3) . .
C3 C2 H2 120.5 . .
C2 C3 H3 120.2 . .
C2 C3 C4 119.6(3) . .
C4 C3 H3 120.2 . .
C3 C4 C5 123.5(2) . .
C3 C4 C9 117.6(2) . .
C9 C4 C5 118.9(2) . .
N2 C5 C4 116.1(2) . .
C6 C5 N2 125.0(2) . .
C6 C5 C4 118.9(2) . .
C5 C6 H6 118.9 . .
C5 C6 C7 122.1(2) . .
C7 C6 H6 118.9 . .
C6 C7 H7 119.5 . .
C8 C7 C6 121.0(3) . .
C8 C7 H7 119.5 . .
O1 C8 C7 123.5(2) . .
O1 C8 C9 119.2(2) . .
C7 C8 C9 117.3(2) . .
N1 C9 C4 122.1(2) . .
N1 C9 C8 116.6(2) . .
C4 C9 C8 121.3(2) . .
N2 C10 H10 119.5 . .
N2 C10 C11 121.0(3) . .
C11 C10 H10 119.5 . .
C12 C11 C10 120.5(3) . .
C12 C11 C15 118.0(3) . .
C15 C11 C10 121.5(3) . .
C11 C12 H12 120.6 . .
C11 C12 C13 118.9(4) . .
C13 C12 H12 120.6 . .
N3 C13 C12 123.9(4) . .
N3 C13 H13 118.1 . .
C12 C13 H13 118.1 . .
N3 C14 H14 118.0 . .
N3 C14 C15 124.0(4) . .
C15 C14 H14 118.0 . .
C11 C15 H15 120.6 . .
C14 C15 C11 118.8(4) . .
C14 C15 H15 120.6 . .
N4 C16 H16 118.1 . .
N4 C16 C17 123.8(3) . .
C17 C16 H16 118.1 . .
C16 C17 H17 120.3 . .
C18 C17 C16 119.4(3) . .
C18 C17 H17 120.3 . .
C17 C18 H18 120.6 . .
C17 C18 C19 118.9(3) . .
C19 C18 H18 120.6 . .
C20 C19 C18 122.8(3) . .
C24 C19 C18 117.7(3) . .
C24 C19 C20 119.6(3) . .
N5 C20 C19 118.8(3) . .
C21 C20 N5 123.1(3) . .
C21 C20 C19 118.1(3) . .
C20 C21 H21 118.8 . .
C20 C21 C22 122.4(3) . .
C22 C21 H21 118.8 . .
C21 C22 H22 119.2 . .
C23 C22 C21 121.6(3) . .
C23 C22 H22 119.2 . .
O2 C23 C22 124.5(2) . .
O2 C23 C24 118.5(2) . .
C22 C23 C24 116.9(3) . .
N4 C24 C19 122.6(2) . .
N4 C24 C23 116.1(2) . .
C19 C24 C23 121.3(3) . .
N5 C25 H25 118.9 . .
N5 C25 C26 122.2(4) . .
C26 C25 H25 118.9 . .
C27 C26 C25 118.8(5) . .
C30 C26 C25 123.1(5) . .
C30 C26 C27 118.1(5) . .
C26 C27 H27 119.3 . .
C28 C27 C26 121.5(7) . .
C28 C27 H27 119.3 . .
N6 C28 H28 119.4 . .
C27 C28 N6 121.1(7) . .
C27 C28 H28 119.4 . .
N6 C29 H29 119.5 . .
N6 C29 C30 121.0(8) . .
C30 C29 H29 119.5 . .
C26 C30 C29 119.8(7) . .
C26 C30 H30 120.1 . .
C29 C30 H30 120.1 . .
N7 C31 H31 118.3 . .
N7 C31 C32 123.4(3) . .
C32 C31 H31 118.3 . .
C31 C32 H32 120.3 . .
C33 C32 C31 119.4(3) . .
C33 C32 H32 120.3 . .
C32 C33 H33 120.1 . .
C32 C33 C34 119.7(3) . .
C34 C33 H33 120.1 . .
C33 C34 C35 122.8(3) . .
C33 C34 C39 117.5(3) . .
C39 C34 C35 119.6(2) . .
N8 C35 C34 116.2(2) . .
C36 C35 N8 125.4(3) . .
C36 C35 C34 118.3(2) . .
C35 C36 H36 119.1 . .
C35 C36 C37 121.8(3) . .
C37 C36 H36 119.1 . .
C36 C37 H37 119.0 . .
C38 C37 C36 121.9(2) . .
C38 C37 H37 119.0 . .
O3 C38 C37 124.7(2) . .
O3 C38 C39 118.0(2) . .
C37 C38 C39 117.3(2) . .
N7 C39 C34 121.9(2) . .
N7 C39 C38 117.2(2) . .
C34 C39 C38 120.9(2) . .
N8 C40 H40 120.1 . .
N8 C40 C41 119.9(3) . .
C41 C40 H40 120.1 . .
C42 C41 C40 120.0(3) . .
C45 C41 C40 121.2(3) . .
C45 C41 C42 118.7(3) . .
C41 C42 H42 121.2 . .
C41 C42 C43 117.6(4) . .
C43 C42 H42 121.2 . .
N9 C43 C42 124.2(4) . .
N9 C43 H43 117.9 . .
C42 C43 H43 117.9 . .
N9 C44 H44 118.2 . .
N9 C44 C45 123.7(4) . .
C45 C44 H44 118.2 . .
C41 C45 C44 118.5(3) . .
C41 C45 H45 120.8 . .
C44 C45 H45 120.8 . .
C47 C46 H46 119.7 . .
C51 C46 H46 119.7 . .
C51 C46 C47 120.6(3) . .
C46 C47 H47 120.0 . .
C48 C47 C46 119.9(4) . .
C48 C47 H47 120.0 . .
C47 C48 H48 120.0 . .
C49 C48 C47 119.9(3) . .
C49 C48 H48 120.0 . .
C48 C49 H49 119.7 . .
C48 C49 C50 120.7(3) . .
C50 C49 H49 119.7 . .
C49 C50 H50 119.9 . .
C49 C50 C51 120.2(3) . .
C51 C50 H50 119.9 . .
C46 C51 C50 118.6(3) . .
C46 C51 C52 118.2(3) . .
C50 C51 C52 123.2(3) . .
O4 C52 C51 116.2(3) . .
O4 C52 C53 123.1(3) . .
C53 C52 C51 120.7(2) . .
C52 C53 H53 118.0 . .
C52 C53 C54 123.9(3) . .
C54 C53 H53 118.0 . .
O5 C54 C53 124.4(3) . .
O5 C54 C55 116.4(2) . .
C53 C54 C55 119.2(2) . .
C56 C55 C54 122.5(3) . .
C60 C55 C54 119.2(2) . .
C60 C55 C56 118.3(3) . .
C55 C56 H56 120.3 . .
C57 C56 C55 119.5(3) . .
C57 C56 H56 120.3 . .
C56 C57 H57 119.3 . .
C58 C57 C56 121.4(3) . .
C58 C57 H57 119.3 . .
C57 C58 H58 120.3 . .
C57 C58 C59 119.3(3) . .
C59 C58 H58 120.3 . .
C58 C59 H59 120.1 . .
C58 C59 C60 119.8(3) . .
C60 C59 H59 120.1 . .
C55 C60 H60 119.1 . .
C59 C60 C55 121.7(3) . .
C59 C60 H60 119.1 . .
C62 C61 H61 119.4 . .
C62 C61 C66 121.2(3) . .
C66 C61 H61 119.4 . .
C61 C62 H62 120.1 . .
C63 C62 C61 119.8(3) . .
C63 C62 H62 120.1 . .
C62 C63 H63 120.2 . .
C64 C63 C62 119.5(3) . .
C64 C63 H63 120.2 . .
C63 C64 H64 119.6 . .
C63 C64 C65 120.9(3) . .
C65 C64 H64 119.6 . .
C64 C65 H65 119.7 . .
C64 C65 C66 120.6(3) . .
C66 C65 H65 119.7 . .
C61 C66 C65 118.0(3) . .
C61 C66 C67 118.4(2) . .
C65 C66 C67 123.6(3) . .
O6 C67 C66 116.5(2) . .
O6 C67 C68 123.5(3) . .
C68 C67 C66 120.0(2) . .
C67 C68 H68 117.6 . .
C69 C68 C67 124.8(3) . .
C69 C68 H68 117.6 . .
O7 C69 C68 124.9(2) . .
O7 C69 C70 116.6(3) . .
C68 C69 C70 118.5(3) . .
C71 C70 C69 122.9(4) . .
C75 C70 C69 120.2(3) . .
C75 C70 C71 116.9(4) . .
C70 C71 H71 119.7 . .
C70 C71 C72 120.6(6) . .
C72 C71 H71 119.7 . .
C71 C72 H72 119.5 . .
C73 C72 C71 121.1(6) . .
C73 C72 H72 119.5 . .
C72 C73 H73 120.7 . .
C74 C73 C72 118.6(4) . .
C74 C73 H73 120.7 . .
C73 C74 H74 119.1 . .
C73 C74 C75 121.7(5) . .
C75 C74 H74 119.1 . .
C70 C75 C74 121.1(5) . .
C70 C75 H75 119.4 . .
C74 C75 H75 119.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 Dy1 3.8189(3) 3_666
Dy1 Dy2 3.8627(3) 3_666
Dy1 Dy2 3.5620(2) .
Dy1 O1 2.3662(18) .
Dy1 O2 2.4167(18) .
Dy1 O3 2.3807(17) .
Dy1 O4 2.2988(19) .
Dy1 O5 2.3211(18) .
Dy1 O8 2.3658(17) .
Dy1 O8 2.3326(19) 3_666
Dy1 N1 2.537(2) .
Dy2 O1 2.394(2) 3_666
Dy2 O2 2.3749(18) .
Dy2 O3 2.3614(18) .
Dy2 O6 2.3202(18) .
Dy2 O7 2.3060(17) .
Dy2 O8 2.3318(17) .
Dy2 N4 2.549(2) .
Dy2 N7 2.538(2) .
O1 C8 1.335(3) .
O2 C23 1.319(3) .
O3 C38 1.325(3) .
O4 C52 1.272(3) .
O5 C54 1.268(3) .
O6 C67 1.269(3) .
O7 C69 1.262(4) .
O8 H8 1.0000 .
N1 C1 1.320(3) .
N1 C9 1.372(3) .
N2 C5 1.415(3) .
N2 C10 1.271(4) .
N3 C13 1.329(6) .
N3 C14 1.335(5) .
N4 C16 1.322(3) .
N4 C24 1.380(4) .
N5 C20 1.417(4) .
N5 C25 1.297(5) .
N6 C28 1.361(10) .
N6 C29 1.362(10) .
N7 C31 1.326(3) .
N7 C39 1.367(3) .
N8 C35 1.406(3) .
N8 C40 1.263(4) .
N9 C43 1.316(5) .
N9 C44 1.327(5) .
C1 H1 0.9500 .
C1 C2 1.407(4) .
C2 H2 0.9500 .
C2 C3 1.367(4) .
C3 H3 0.9500 .
C3 C4 1.410(4) .
C4 C5 1.419(4) .
C4 C9 1.415(4) .
C5 C6 1.370(4) .
C6 H6 0.9500 .
C6 C7 1.403(4) .
C7 H7 0.9500 .
C7 C8 1.384(3) .
C8 C9 1.432(4) .
C10 H10 0.9500 .
C10 C11 1.470(4) .
C11 C12 1.371(5) .
C11 C15 1.390(5) .
C12 H12 0.9500 .
C12 C13 1.394(5) .
C13 H13 0.9500 .
C14 H14 0.9500 .
C14 C15 1.380(5) .
C15 H15 0.9500 .
C16 H16 0.9500 .
C16 C17 1.404(4) .
C17 H17 0.9500 .
C17 C18 1.371(4) .
C18 H18 0.9500 .
C18 C19 1.423(4) .
C19 C20 1.421(4) .
C19 C24 1.410(4) .
C20 C21 1.375(4) .
C21 H21 0.9500 .
C21 C22 1.403(5) .
C22 H22 0.9500 .
C22 C23 1.377(4) .
C23 C24 1.439(4) .
C25 H25 0.9500 .
C25 C26 1.476(6) .
C26 C27 1.398(7) .
C26 C30 1.353(8) .
C27 H27 0.9500 .
C27 C28 1.355(7) .
C28 H28 0.9500 .
C29 H29 0.9500 .
C29 C30 1.415(8) .
C30 H30 0.9500 .
C31 H31 0.9500 .
C31 C32 1.400(4) .
C32 H32 0.9500 .
C32 C33 1.354(4) .
C33 H33 0.9500 .
C33 C34 1.408(4) .
C34 C35 1.424(4) .
C34 C39 1.421(4) .
C35 C36 1.376(4) .
C36 H36 0.9500 .
C36 C37 1.398(4) .
C37 H37 0.9500 .
C37 C38 1.386(4) .
C38 C39 1.421(4) .
C40 H40 0.9500 .
C40 C41 1.481(4) .
C41 C42 1.383(5) .
C41 C45 1.383(4) .
C42 H42 0.9500 .
C42 C43 1.398(5) .
C43 H43 0.9500 .
C44 H44 0.9500 .
C44 C45 1.385(4) .
C45 H45 0.9500 .
C46 H46 0.9500 .
C46 C47 1.386(5) .
C46 C51 1.378(4) .
C47 H47 0.9500 .
C47 C48 1.378(5) .
C48 H48 0.9500 .
C48 C49 1.363(6) .
C49 H49 0.9500 .
C49 C50 1.379(5) .
C50 H50 0.9500 .
C50 C51 1.397(4) .
C51 C52 1.503(4) .
C52 C53 1.389(4) .
C53 H53 0.9500 .
C53 C54 1.399(4) .
C54 C55 1.497(4) .
C55 C56 1.397(4) .
C55 C60 1.385(4) .
C56 H56 0.9500 .
C56 C57 1.389(4) .
C57 H57 0.9500 .
C57 C58 1.376(5) .
C58 H58 0.9500 .
C58 C59 1.376(5) .
C59 H59 0.9500 .
C59 C60 1.380(4) .
C60 H60 0.9500 .
C61 H61 0.9500 .
C61 C62 1.390(4) .
C61 C66 1.391(4) .
C62 H62 0.9500 .
C62 C63 1.381(4) .
C63 H63 0.9500 .
C63 C64 1.375(5) .
C64 H64 0.9500 .
C64 C65 1.383(4) .
C65 H65 0.9500 .
C65 C66 1.392(4) .
C66 C67 1.503(4) .
C67 C68 1.399(4) .
C68 H68 0.9500 .
C68 C69 1.391(4) .
C69 C70 1.502(4) .
C70 C71 1.371(6) .
C70 C75 1.350(6) .
C71 H71 0.9500 .
C71 C72 1.395(6) .
C72 H72 0.9500 .
C72 C73 1.335(10) .
C73 H73 0.9500 .
C73 C74 1.323(9) .
C74 H74 0.9500 .
C74 C75 1.389(5) .
C75 H75 0.9500 .
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
Dy1 O1 C8 C7 157.6(2) .
Dy1 O1 C8 C9 -23.7(3) .
Dy1 O2 C23 C22 25.5(4) .
Dy1 O2 C23 C24 -154.83(18) .
Dy1 O3 C38 C37 -13.7(5) .
Dy1 O3 C38 C39 166.4(2) .
Dy1 O4 C52 C51 154.9(2) .
Dy1 O4 C52 C53 -24.1(5) .
Dy1 O5 C54 C53 11.0(5) .
Dy1 O5 C54 C55 -172.49(18) .
Dy1 N1 C1 C2 167.3(2) .
Dy1 N1 C9 C4 -168.4(2) .
Dy1 N1 C9 C8 11.0(3) .
Dy2 O1 C8 C7 -58.6(4) 3_666
Dy2 O1 C8 C9 120.0(2) 3_666
Dy2 O2 C23 C22 -176.2(2) .
Dy2 O2 C23 C24 3.4(3) .
Dy2 O3 C38 C37 156.7(2) .
Dy2 O3 C38 C39 -23.1(3) .
Dy2 O6 C67 C66 -176.95(17) .
Dy2 O6 C67 C68 5.1(4) .
Dy2 O7 C69 C68 -15.6(5) .
Dy2 O7 C69 C70 165.9(2) .
Dy2 N4 C16 C17 176.1(2) .
Dy2 N4 C24 C19 179.2(2) .
Dy2 N4 C24 C23 1.6(3) .
Dy2 N7 C31 C32 165.8(3) .
Dy2 N7 C39 C34 -165.7(2) .
Dy2 N7 C39 C38 13.3(3) .
O1 C8 C9 N1 7.3(4) .
O1 C8 C9 C4 -173.3(3) .
O2 C23 C24 N4 -3.3(4) .
O2 C23 C24 C19 179.2(3) .
O3 C38 C39 N7 4.9(4) .
O3 C38 C39 C34 -176.1(3) .
O4 C52 C53 C54 -0.3(5) .
O5 C54 C55 C56 157.3(3) .
O5 C54 C55 C60 -24.1(4) .
O6 C67 C68 C69 7.5(5) .
O7 C69 C70 C71 -164.4(4) .
O7 C69 C70 C75 16.6(5) .
N1 C1 C2 C3 -0.6(5) .
N2 C5 C6 C7 -175.1(3) .
N2 C10 C11 C12 -164.7(3) .
N2 C10 C11 C15 14.0(5) .
N3 C14 C15 C11 0.3(6) .
N4 C16 C17 C18 4.6(5) .
N5 C20 C21 C22 -177.7(3) .
N5 C25 C26 C27 -173.9(4) .
N5 C25 C26 C30 5.3(6) .
N6 C29 C30 C26 0.4(9) .
N7 C31 C32 C33 -2.1(6) .
N8 C35 C36 C37 -176.7(3) .
N8 C40 C41 C42 163.8(3) .
N8 C40 C41 C45 -14.7(4) .
N9 C44 C45 C41 -1.8(6) .
C1 N1 C9 C4 -0.7(4) .
C1 N1 C9 C8 178.8(3) .
C1 C2 C3 C4 -0.7(5) .
C2 C3 C4 C5 -179.4(3) .
C2 C3 C4 C9 1.3(4) .
C3 C4 C5 N2 -5.0(4) .
C3 C4 C5 C6 174.8(3) .
C3 C4 C9 N1 -0.6(4) .
C3 C4 C9 C8 -180.0(3) .
C4 C5 C6 C7 5.1(5) .
C5 N2 C10 C11 177.6(3) .
C5 C4 C9 N1 -179.9(3) .
C5 C4 C9 C8 0.7(4) .
C5 C6 C7 C8 1.2(5) .
C6 C7 C8 O1 172.3(3) .
C6 C7 C8 C9 -6.3(5) .
C7 C8 C9 N1 -174.0(3) .
C7 C8 C9 C4 5.4(4) .
C9 N1 C1 C2 1.3(4) .
C9 C4 C5 N2 174.3(3) .
C9 C4 C5 C6 -5.9(4) .
C10 N2 C5 C4 -145.1(3) .
C10 N2 C5 C6 35.2(5) .
C10 C11 C12 C13 177.5(3) .
C10 C11 C15 C14 -178.4(3) .
C11 C12 C13 N3 1.5(6) .
C12 C11 C15 C14 0.4(5) .
C13 N3 C14 C15 0.0(6) .
C14 N3 C13 C12 -0.9(6) .
C15 C11 C12 C13 -1.2(5) .
C16 N4 C24 C19 -1.9(4) .
C16 N4 C24 C23 -179.4(2) .
C16 C17 C18 C19 -1.7(5) .
C17 C18 C19 C20 175.4(3) .
C17 C18 C19 C24 -2.6(5) .
C18 C19 C20 N5 -2.4(5) .
C18 C19 C20 C21 177.8(3) .
C18 C19 C24 N4 4.5(4) .
C18 C19 C24 C23 -178.1(3) .
C19 C20 C21 C22 2.1(5) .
C20 N5 C25 C26 -178.5(3) .
C20 C19 C24 N4 -173.6(3) .
C20 C19 C24 C23 3.8(4) .
C20 C21 C22 C23 0.6(5) .
C21 C22 C23 O2 178.6(3) .
C21 C22 C23 C24 -1.1(4) .
C22 C23 C24 N4 176.4(2) .
C22 C23 C24 C19 -1.2(4) .
C24 N4 C16 C17 -2.8(4) .
C24 C19 C20 N5 175.5(3) .
C24 C19 C20 C21 -4.2(5) .
C25 N5 C20 C19 -140.7(3) .
C25 N5 C20 C21 39.0(5) .
C25 C26 C27 C28 180.0(4) .
C25 C26 C30 C29 179.8(5) .
C26 C27 C28 N6 0.3(8) .
C27 C26 C30 C29 -1.1(7) .
C28 N6 C29 C30 0.6(9) .
C29 N6 C28 C27 -0.9(9) .
C30 C26 C27 C28 0.8(7) .
C31 N7 C39 C34 1.3(5) .
C31 N7 C39 C38 -179.7(3) .
C31 C32 C33 C34 1.0(5) .
C32 C33 C34 C35 -175.9(3) .
C32 C33 C34 C39 1.0(5) .
C33 C34 C35 N8 -3.6(4) .
C33 C34 C35 C36 178.5(3) .
C33 C34 C39 N7 -2.3(5) .
C33 C34 C39 C38 178.8(3) .
C34 C35 C36 C37 1.0(4) .
C35 N8 C40 C41 179.2(3) .
C35 C34 C39 N7 174.7(3) .
C35 C34 C39 C38 -4.2(4) .
C35 C36 C37 C38 -1.1(5) .
C36 C37 C38 O3 178.7(3) .
C36 C37 C38 C39 -1.4(4) .
C37 C38 C39 N7 -175.0(3) .
C37 C38 C39 C34 4.0(4) .
C39 N7 C31 C32 0.9(5) .
C39 C34 C35 N8 179.5(3) .
C39 C34 C35 C36 1.7(4) .
C40 N8 C35 C34 142.6(3) .
C40 N8 C35 C36 -39.7(5) .
C40 C41 C42 C43 -176.4(3) .
C40 C41 C45 C44 178.7(3) .
C41 C42 C43 N9 -3.4(6) .
C42 C41 C45 C44 0.2(5) .
C43 N9 C44 C45 0.7(6) .
C44 N9 C43 C42 1.9(6) .
C45 C41 C42 C43 2.1(5) .
C46 C47 C48 C49 -0.3(6) .
C46 C51 C52 O4 -18.0(4) .
C46 C51 C52 C53 161.0(3) .
C47 C46 C51 C50 2.3(5) .
C47 C46 C51 C52 -175.4(3) .
C47 C48 C49 C50 1.5(6) .
C48 C49 C50 C51 -0.7(6) .
C49 C50 C51 C46 -1.2(5) .
C49 C50 C51 C52 176.4(3) .
C50 C51 C52 O4 164.4(3) .
C50 C51 C52 C53 -16.5(5) .
C51 C46 C47 C48 -1.6(6) .
C51 C52 C53 C54 -179.3(3) .
C52 C53 C54 O5 6.3(5) .
C52 C53 C54 C55 -170.1(3) .
C53 C54 C55 C56 -26.0(4) .
C53 C54 C55 C60 152.6(3) .
C54 C55 C56 C57 178.1(3) .
C54 C55 C60 C59 -178.6(3) .
C55 C56 C57 C58 0.4(5) .
C56 C55 C60 C59 0.0(5) .
C56 C57 C58 C59 0.0(5) .
C57 C58 C59 C60 -0.5(5) .
C58 C59 C60 C55 0.5(5) .
C60 C55 C56 C57 -0.4(5) .
C61 C62 C63 C64 -0.8(5) .
C61 C66 C67 O6 6.6(4) .
C61 C66 C67 C68 -175.4(3) .
C62 C61 C66 C65 1.9(5) .
C62 C61 C66 C67 -176.1(3) .
C62 C63 C64 C65 1.3(5) .
C63 C64 C65 C66 -0.2(5) .
C64 C65 C66 C61 -1.4(5) .
C64 C65 C66 C67 176.5(3) .
C65 C66 C67 O6 -171.4(3) .
C65 C66 C67 C68 6.7(4) .
C66 C61 C62 C63 -0.8(5) .
C66 C67 C68 C69 -170.4(3) .
C67 C68 C69 O7 -2.4(5) .
C67 C68 C69 C70 176.0(3) .
C68 C69 C70 C71 17.1(6) .
C68 C69 C70 C75 -162.0(3) .
C69 C70 C71 C72 -179.3(5) .
C69 C70 C75 C74 179.4(4) .
C70 C71 C72 C73 -0.6(10) .
C71 C70 C75 C74 0.3(6) .
C71 C72 C73 C74 1.5(10) .
C72 C73 C74 C75 -1.5(8) .
C73 C74 C75 C70 0.6(7) .
C75 C70 C71 C72 -0.3(8) .
