#------------------------------------------------------------------------------
#$Date: 2021-06-05 21:16:18 +0300 (Sat, 05 Jun 2021) $
#$Revision: 265978 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/23/7242333.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_7242333
loop_
_publ_author_name
'Xu, Shao-Min'
'An, Zhong-Wu'
'Zhang, Wei'
'Zhang, Yi-Quan'
'Yao, Min-Xia'
_publ_section_title
;
 Ligand field and anion-driven structures and magnetic properties of
 dysprosium complexes
;
_journal_issue                   15
_journal_name_full               CrystEngComm
_journal_page_first              2825
_journal_page_last               2834
_journal_paper_doi               10.1039/D1CE00115A
_journal_volume                  23
_journal_year                    2021
_chemical_formula_sum            'C93 H75 Dy2 N5 O10'
_chemical_formula_weight         1747.58
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2020-09-14 deposited with the CCDC.	2021-03-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 129.627(8)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   36.505(8)
_cell_length_b                   21.596(4)
_cell_length_c                   27.632(6)
_cell_measurement_reflns_used    9456
_cell_measurement_temperature    303(2)
_cell_measurement_theta_max      26
_cell_measurement_theta_min      2.72
_cell_volume                     16778(6)
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      303(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0272
_diffrn_reflns_av_unetI/netI     0.0218
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            83629
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         2.923
_exptl_absorpt_coefficient_mu    1.828
_exptl_crystal_colour            YELLOW
_exptl_crystal_density_diffrn    1.384
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             7040
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.110
_refine_diff_density_max         0.546
_refine_diff_density_min         -0.490
_refine_diff_density_rms         0.050
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1010
_refine_ls_number_reflns         16458
_refine_ls_number_restraints     77
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0315
_refine_ls_R_factor_gt           0.0236
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0259P)²+9.5432P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0542
_refine_ls_wR_factor_ref         0.0567
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13738
_reflns_number_total             16458
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1ce00115a2.cif
_cod_data_source_block           3
_cod_depositor_comments
'Adding full bibliography for 7242331--7242333.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7242333
_shelx_shelxl_version_number     2016/6
_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_min   0.711
_shelx_estimated_absorpt_t_max   0.824
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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 0.64089(2) 0.41647(2) 0.69590(2) 0.03907(4) Uani 1 1 d . . . . .
Dy2 Dy 0.65851(2) 0.25896(2) 0.64483(2) 0.03899(4) Uani 1 1 d . . . . .
O1 O 0.68859(5) 0.36207(7) 0.68280(7) 0.0392(3) Uani 1 1 d . . . . .
O2 O 0.62671(6) 0.31237(8) 0.68837(8) 0.0477(4) Uani 1 1 d . . . . .
O3 O 0.62666(6) 0.51568(8) 0.71356(8) 0.0536(4) Uani 1 1 d . . . . .
O4 O 0.57432(6) 0.41509(8) 0.69075(9) 0.0537(4) Uani 1 1 d . . . . .
O5 O 0.72844(6) 0.23267(8) 0.74700(8) 0.0529(4) Uani 1 1 d . . . . .
O6 O 0.64302(6) 0.17533(8) 0.68322(8) 0.0547(4) Uani 1 1 d . . . . .
O7 O 0.71787(6) 0.26224(8) 0.63411(8) 0.0509(4) Uani 1 1 d . . . . .
O8 O 0.64931(6) 0.17319(8) 0.58723(8) 0.0514(4) Uani 1 1 d . . . . .
O9 O 0.62615(6) 0.31479(8) 0.55265(7) 0.0509(4) Uani 1 1 d . . . . .
O10 O 0.57553(6) 0.24023(8) 0.56946(8) 0.0539(4) Uani 1 1 d . . . . .
N1 N 0.57304(8) 0.42476(11) 0.58109(10) 0.0557(6) Uani 1 1 d . . . . .
N2 N 0.65432(7) 0.49535(9) 0.63709(9) 0.0471(5) Uani 1 1 d . . . . .
N3 N 0.71654(7) 0.47477(9) 0.76611(9) 0.0449(5) Uani 1 1 d . . . . .
N4 N 0.69080(8) 0.38342(10) 0.81184(9) 0.0489(5) Uani 1 1 d . . . . .
N5 N 0.70918(13) 0.3820(2) 0.93890(14) 0.1185(13) Uani 1 1 d . . . . .
C1 C 0.53978(10) 0.38034(15) 0.55098(14) 0.0679(8) Uani 1 1 d . . . . .
H1 H 0.540588 0.348521 0.574319 0.081 Uiso 1 1 calc R U . . .
C2 C 0.50463(11) 0.38018(18) 0.48695(16) 0.0811(10) Uani 1 1 d . . . . .
H2 H 0.481656 0.349206 0.467115 0.097 Uiso 1 1 calc R U . . .
C3 C 0.50420(13) 0.4261(2) 0.45341(16) 0.0943(13) Uani 1 1 d . . . . .
H3 H 0.481208 0.426299 0.409844 0.113 Uiso 1 1 calc R U . . .
C4 C 0.53749(13) 0.47257(18) 0.48324(14) 0.0799(10) Uani 1 1 d . . . . .
H4 H 0.536984 0.504612 0.460336 0.096 Uiso 1 1 calc R U . . .
C5 C 0.57167(10) 0.47081(14) 0.54776(12) 0.0584(7) Uani 1 1 d . . . . .
C6 C 0.60750(10) 0.52110(13) 0.58459(13) 0.0608(7) Uani 1 1 d . . . . .
H6A H 0.610298 0.544689 0.557210 0.073 Uiso 1 1 calc R U . . .
H6B H 0.596884 0.548990 0.600953 0.073 Uiso 1 1 calc R U . . .
C7 C 0.67454(10) 0.46399(12) 0.61057(12) 0.0527(7) Uani 1 1 d . . . . .
H7A H 0.653510 0.430588 0.583194 0.063 Uiso 1 1 calc R U . . .
H7B H 0.676036 0.493419 0.585358 0.063 Uiso 1 1 calc R U . . .
C8 C 0.72289(10) 0.43848(12) 0.66017(12) 0.0490(6) Uani 1 1 d . . . . .
C9 C 0.76359(12) 0.46608(14) 0.67575(17) 0.0679(8) Uani 1 1 d . . . . .
H9 H 0.760603 0.500310 0.653039 0.081 Uiso 1 1 calc R U . . .
C10 C 0.80817(12) 0.44381(17) 0.72403(18) 0.0791(10) Uani 1 1 d . . . . .
H10 H 0.835184 0.462937 0.734384 0.095 Uiso 1 1 calc R U . . .
C11 C 0.81202(11) 0.39293(17) 0.75654(16) 0.0720(9) Uani 1 1 d . . . . .
H11 H 0.842015 0.377357 0.789117 0.086 Uiso 1 1 calc R U . . .
C12 C 0.77221(9) 0.36427(13) 0.74192(12) 0.0527(6) Uani 1 1 d . . . . .
H12 H 0.775605 0.329457 0.764284 0.063 Uiso 1 1 calc R U . . .
C13 C 0.72732(8) 0.38719(11) 0.69410(11) 0.0410(5) Uani 1 1 d . . . . .
C14 C 0.68630(10) 0.54561(12) 0.67997(13) 0.0553(7) Uani 1 1 d . . . . .
H14A H 0.667443 0.577426 0.679747 0.066 Uiso 1 1 calc R U . . .
H14B H 0.701035 0.564020 0.664086 0.066 Uiso 1 1 calc R U . . .
C15 C 0.72440(10) 0.52530(12) 0.74599(13) 0.0502(6) Uani 1 1 d . . . . .
C16 C 0.76597(12) 0.55898(15) 0.78536(16) 0.0699(8) Uani 1 1 d . . . . .
H16 H 0.770774 0.594232 0.770718 0.084 Uiso 1 1 calc R U . . .
C17 C 0.79977(12) 0.54001(17) 0.84577(17) 0.0814(10) Uani 1 1 d . . . . .
H17 H 0.828042 0.562012 0.872638 0.098 Uiso 1 1 calc R U . . .
C18 C 0.79204(11) 0.48863(16) 0.86675(14) 0.0707(9) Uani 1 1 d . . . . .
H18 H 0.814725 0.475519 0.908113 0.085 Uiso 1 1 calc R U . . .
C19 C 0.75003(9) 0.45630(13) 0.82572(12) 0.0505(6) Uani 1 1 d . . . . .
C20 C 0.74136(10) 0.39555(14) 0.84287(12) 0.0563(7) Uani 1 1 d . . . . .
H20A H 0.752961 0.362636 0.831890 0.068 Uiso 1 1 calc R U . . .
H20B H 0.759633 0.394313 0.888028 0.068 Uiso 1 1 calc R U . . .
C21 C 0.67293(10) 0.42370(13) 0.83658(12) 0.0565(7) Uani 1 1 d . . . . .
H21A H 0.642581 0.407237 0.821622 0.068 Uiso 1 1 calc R U . . .
H21B H 0.666915 0.464448 0.818063 0.068 Uiso 1 1 calc R U . . .
C22 C 0.70381(11) 0.43170(18) 0.90654(14) 0.0689(9) Uani 1 1 d . . . . .
C23 C 0.72354(15) 0.4879(2) 0.93365(18) 0.1093(14) Uani 1 1 d . . . . .
H23 H 0.719113 0.521586 0.909394 0.131 Uiso 1 1 calc R U . . .
C24 C 0.75044(19) 0.4938(4) 0.9984(2) 0.150(2) Uani 1 1 d . . . . .
H24 H 0.764329 0.531410 1.018452 0.180 Uiso 1 1 calc R U . . .
C25 C 0.7558(2) 0.4431(5) 1.0315(2) 0.170(3) Uani 1 1 d . . . . .
H25 H 0.772632 0.445718 1.074596 0.204 Uiso 1 1 calc R U . . .
C26 C 0.7366(2) 0.3890(4) 1.0012(2) 0.173(3) Uani 1 1 d . . . . .
H26 H 0.742673 0.354174 1.025174 0.208 Uiso 1 1 calc R U . . .
C27 C 0.68677(11) 0.31583(13) 0.81991(13) 0.0636(8) Uani 1 1 d . . . . .
H27A H 0.704343 0.292889 0.810393 0.076 Uiso 1 1 calc R U . . .
H27B H 0.702158 0.308438 0.863754 0.076 Uiso 1 1 calc R U . . .
C28 C 0.63756(12) 0.29005(13) 0.78085(15) 0.0631(7) Uani 1 1 d . U . . .
C29 C 0.62049(15) 0.26210(15) 0.80870(19) 0.0819(8) Uani 1 1 d . U . . .
H29 H 0.637949 0.265488 0.851870 0.098 Uiso 1 1 calc R U . . .
C30 C 0.57845(15) 0.22975(16) 0.7735(2) 0.0899(9) Uani 1 1 d . U . . .
H30 H 0.567755 0.211184 0.792844 0.108 Uiso 1 1 calc R U . . .
C31 C 0.55259(14) 0.22497(16) 0.7105(2) 0.0871(9) Uani 1 1 d . U . . .
H31 H 0.524243 0.202788 0.686832 0.105 Uiso 1 1 calc R U . . .
C32 C 0.56799(12) 0.25290(13) 0.68078(19) 0.0726(8) Uani 1 1 d . U . . .
H32 H 0.549757 0.249652 0.637451 0.087 Uiso 1 1 calc R U . . .
C33 C 0.61064(11) 0.28567(12) 0.71592(15) 0.0567(6) Uani 1 1 d . U . . .
C34 C 0.64972(11) 0.63714(15) 0.75606(13) 0.0640(8) Uani 1 1 d . . . . .
H34 H 0.674794 0.610733 0.769708 0.077 Uiso 1 1 calc R U . . .
C35 C 0.65781(13) 0.69981(17) 0.76485(15) 0.0778(10) Uani 1 1 d . . . . .
H35 H 0.688019 0.715446 0.784108 0.093 Uiso 1 1 calc R U . . .
C36 C 0.62135(16) 0.73907(17) 0.74521(18) 0.0879(11) Uani 1 1 d . . . . .
H36 H 0.626677 0.781536 0.750937 0.106 Uiso 1 1 calc R U . . .
C37 C 0.57707(14) 0.71600(16) 0.71715(17) 0.0838(10) Uani 1 1 d . . . . .
H37 H 0.552400 0.742883 0.704189 0.101 Uiso 1 1 calc R U . . .
C38 C 0.56860(11) 0.65304(14) 0.70786(14) 0.0667(8) Uani 1 1 d . . . . .
H38 H 0.538241 0.637848 0.688404 0.080 Uiso 1 1 calc R U . . .
C39 C 0.60521(9) 0.61233(12) 0.72743(11) 0.0498(6) Uani 1 1 d . . . . .
C40 C 0.59729(9) 0.54422(12) 0.71602(11) 0.0488(6) Uani 1 1 d . . . . .
C41 C 0.55958(10) 0.51551(13) 0.70733(13) 0.0571(7) Uani 1 1 d . . . . .
H41 H 0.540914 0.538955 0.712489 0.068 Uiso 1 1 calc R U . . .
C42 C 0.54810(9) 0.45310(13) 0.69118(12) 0.0511(6) Uani 1 1 d . . . . .
C43 C 0.50234(9) 0.42868(13) 0.67235(13) 0.0552(7) Uani 1 1 d D . . . .
C44 C 0.46391(12) 0.46535(16) 0.6513(2) 0.0956(12) Uani 1 1 d D . . . .
H44 H 0.466350 0.508042 0.649701 0.115 Uiso 1 1 calc R U . . .
C45 C 0.42193(13) 0.44032(18) 0.6324(2) 0.1037(14) Uani 1 1 d D . . . .
H45 H 0.396560 0.466206 0.618584 0.124 Uiso 1 1 calc R U . . .
C46 C 0.41733(13) 0.37901(18) 0.6338(2) 0.0933(12) Uani 1 1 d D . . . .
H46 H 0.387663 0.360729 0.612890 0.112 Uiso 0.58(3) 1 calc R U P A 1
H46A H 0.393043 0.362248 0.632001 0.112 Uiso 0.42(3) 1 calc R U P A 2
C47 C 0.4585(4) 0.3439(6) 0.6675(10) 0.098(4) Uani 0.58(3) 1 d D U P A 1
H47 H 0.458323 0.303833 0.679658 0.117 Uiso 0.58(3) 1 calc R U P A 1
C48 C 0.4997(5) 0.3681(4) 0.6830(8) 0.089(4) Uani 0.58(3) 1 d D U P A 1
H48 H 0.526077 0.342606 0.700994 0.106 Uiso 0.58(3) 1 calc R U P A 1
C47A C 0.4497(6) 0.3416(7) 0.6378(14) 0.096(5) Uani 0.42(3) 1 d D U P A 2
H47A H 0.442491 0.300404 0.625405 0.115 Uiso 0.42(3) 1 calc R U P A 2
C48A C 0.4934(7) 0.3665(5) 0.6609(13) 0.092(5) Uani 0.42(3) 1 d D U P A 2
H48A H 0.516866 0.340383 0.668662 0.110 Uiso 0.42(3) 1 calc R U P A 2
C49 C 0.82417(12) 0.21996(16) 0.84808(16) 0.0755(9) Uani 1 1 d . . . . .
H49 H 0.815338 0.230863 0.809340 0.091 Uiso 1 1 calc R U . . .
C50 C 0.87165(14) 0.2213(2) 0.9004(2) 0.1101(14) Uani 1 1 d . . . . .
H50 H 0.894383 0.233547 0.897083 0.132 Uiso 1 1 calc R U . . .
C51 C 0.88481(18) 0.2045(3) 0.9570(2) 0.144(2) Uani 1 1 d . . . . .
H51 H 0.916793 0.204063 0.992509 0.173 Uiso 1 1 calc R U . . .
C52 C 0.8511(2) 0.1885(3) 0.96140(19) 0.168(3) Uani 1 1 d . . . . .
H52 H 0.860217 0.178101 1.000376 0.201 Uiso 1 1 calc R U . . .
C53 C 0.80348(15) 0.1874(2) 0.90882(16) 0.1218(17) Uani 1 1 d . . . . .
H53 H 0.780818 0.175904 0.912545 0.146 Uiso 1 1 calc R U . . .
C54 C 0.78966(11) 0.20314(14) 0.85120(13) 0.0622(7) Uani 1 1 d . . . . .
C55 C 0.73902(10) 0.20033(12) 0.79263(12) 0.0507(6) Uani 1 1 d . . . . .
C56 C 0.70720(10) 0.16185(12) 0.78992(12) 0.0557(7) Uani 1 1 d . . . . .
H56 H 0.717313 0.142611 0.826736 0.067 Uiso 1 1 calc R U . . .
C57 C 0.66087(10) 0.15053(12) 0.73489(13) 0.0502(6) Uani 1 1 d . . . . .
C58 C 0.63012(11) 0.10404(13) 0.73453(15) 0.0634(8) Uani 1 1 d . . . . .
C59 C 0.63491(14) 0.09147(17) 0.78750(19) 0.0888(11) Uani 1 1 d . . . . .
H59 H 0.658223 0.111337 0.825281 0.107 Uiso 1 1 calc R U . . .
C60 C 0.60456(19) 0.0489(2) 0.7837(3) 0.1254(18) Uani 1 1 d . . . . .
H60 H 0.608045 0.040196 0.819430 0.151 Uiso 1 1 calc R U . . .
C61 C 0.5704(2) 0.0202(3) 0.7296(4) 0.143(2) Uani 1 1 d . . . . .
H61 H 0.550225 -0.007936 0.727713 0.172 Uiso 1 1 calc R U . . .
C62 C 0.56564(17) 0.0325(2) 0.6783(3) 0.1319(19) Uani 1 1 d . . . . .
H62 H 0.542054 0.012412 0.640820 0.158 Uiso 1 1 calc R U . . .
C63 C 0.59523(13) 0.07481(16) 0.67980(19) 0.0892(11) Uani 1 1 d . . . . .
H63 H 0.591129 0.082990 0.643568 0.107 Uiso 1 1 calc R U . . .
C64 C 0.77441(10) 0.32572(14) 0.61501(13) 0.0611(7) Uani 1 1 d . . . . .
H64 H 0.759470 0.349824 0.625798 0.073 Uiso 1 1 calc R U . . .
C65 C 0.81099(12) 0.35096(17) 0.61870(15) 0.0770(9) Uani 1 1 d . . . . .
H65 H 0.820066 0.391924 0.631082 0.092 Uiso 1 1 calc R U . . .
C66 C 0.83381(13) 0.3153(2) 0.60400(16) 0.0854(11) Uani 1 1 d . . . . .
H66 H 0.858807 0.331849 0.607223 0.102 Uiso 1 1 calc R U . . .
C67 C 0.81995(13) 0.2559(2) 0.58480(17) 0.0836(11) Uani 1 1 d . . . . .
H67 H 0.835515 0.231941 0.574900 0.100 Uiso 1 1 calc R U . . .
C68 C 0.78295(11) 0.23095(16) 0.57985(14) 0.0701(8) Uani 1 1 d . . . . .
H68 H 0.773318 0.190461 0.565795 0.084 Uiso 1 1 calc R U . . .
C69 C 0.75982(9) 0.26575(14) 0.59571(12) 0.0530(7) Uani 1 1 d . . . . .
C70 C 0.72190(9) 0.23950(12) 0.59552(12) 0.0492(6) Uani 1 1 d . . . . .
C71 C 0.69328(10) 0.19135(13) 0.55365(12) 0.0590(7) Uani 1 1 d . . . . .
H71 H 0.697210 0.179574 0.524840 0.071 Uiso 1 1 calc R U . . .
C72 C 0.65953(10) 0.16024(12) 0.55252(12) 0.0527(6) Uani 1 1 d . . . . .
C73 C 0.63281(11) 0.10671(13) 0.50873(13) 0.0624(7) Uani 1 1 d . . . . .
C74 C 0.64755(17) 0.07572(17) 0.48015(19) 0.1001(13) Uani 1 1 d . . . . .
H74 H 0.674725 0.088623 0.486707 0.120 Uiso 1 1 calc R U . . .
C75 C 0.6218(2) 0.0253(2) 0.4416(2) 0.139(2) Uani 1 1 d . . . . .
H75 H 0.632240 0.004159 0.423015 0.167 Uiso 1 1 calc R U . . .
C76 C 0.5815(2) 0.0063(2) 0.4306(2) 0.135(2) Uani 1 1 d . . . . .
H76 H 0.563721 -0.026490 0.403376 0.163 Uiso 1 1 calc R U . . .
C77 C 0.56752(16) 0.0356(2) 0.4597(2) 0.1195(16) Uani 1 1 d . . . . .
H77 H 0.540422 0.022246 0.453134 0.143 Uiso 1 1 calc R U . . .
C78 C 0.59327(12) 0.08523(15) 0.49924(16) 0.0807(10) Uani 1 1 d . . . . .
H78 H 0.583634 0.104318 0.519655 0.097 Uiso 1 1 calc R U . . .
C79 C 0.63904(14) 0.36736(16) 0.47516(16) 0.0803(10) Uani 1 1 d . . . . .
H79 H 0.662495 0.370963 0.518485 0.096 Uiso 1 1 calc R U . . .
C80 C 0.64456(18) 0.39800(19) 0.4361(2) 0.1087(14) Uani 1 1 d . . . . .
H80 H 0.671345 0.422305 0.453279 0.130 Uiso 1 1 calc R U . . .
C81 C 0.6108(2) 0.3925(2) 0.3727(2) 0.1073(15) Uani 1 1 d . . . . .
H81 H 0.614514 0.412801 0.346416 0.129 Uiso 1 1 calc R U . . .
C82 C 0.57211(17) 0.3577(3) 0.34821(18) 0.1127(16) Uani 1 1 d . . . . .
H82 H 0.549074 0.353861 0.304841 0.135 Uiso 1 1 calc R U . . .
C83 C 0.56622(12) 0.3276(2) 0.38695(14) 0.0910(12) Uani 1 1 d . . . . .
H83 H 0.539027 0.303926 0.369097 0.109 Uiso 1 1 calc R U . . .
C84 C 0.59951(10) 0.33170(14) 0.45104(12) 0.0564(7) Uani 1 1 d . . . . .
C85 C 0.59536(9) 0.29965(12) 0.49543(11) 0.0495(5) Uani 1 1 d . U . . .
C86 C 0.55922(10) 0.25644(13) 0.47347(12) 0.0576(6) Uani 1 1 d . U . . .
H86 H 0.540259 0.244358 0.431580 0.069 Uiso 1 1 calc R U . . .
C87 C 0.55024(9) 0.23073(12) 0.51095(13) 0.0529(6) Uani 1 1 d . U . . .
C88 C 0.50889(10) 0.18760(14) 0.48290(14) 0.0662(8) Uani 1 1 d . . . . .
C89 C 0.47991(13) 0.1687(2) 0.42145(18) 0.1081(14) Uani 1 1 d . . . . .
H89 H 0.484368 0.184691 0.394299 0.130 Uiso 1 1 calc R U . . .
C90 C 0.44432(16) 0.1262(3) 0.3995(3) 0.141(2) Uani 1 1 d . . . . .
H90 H 0.425929 0.112742 0.358086 0.169 Uiso 1 1 calc R U . . .
C91 C 0.43560(19) 0.1040(3) 0.4364(3) 0.146(2) Uani 1 1 d . . . . .
H91 H 0.410056 0.077544 0.420278 0.175 Uiso 1 1 calc R U . . .
C92 C 0.4643(2) 0.1205(3) 0.4968(3) 0.158(2) Uani 1 1 d . . . . .
H92 H 0.459413 0.103874 0.523401 0.189 Uiso 1 1 calc R U . . .
C93 C 0.50107(16) 0.1620(2) 0.5205(2) 0.1114(15) Uani 1 1 d . . . . .
H93 H 0.520799 0.172475 0.562831 0.134 Uiso 1 1 calc R U . . .
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'
Dy Dy -0.1892 4.4098 '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
_geom_angle_publ_flag
O2 Dy1 O1 68.63(6) . . ?
O2 Dy1 O3 148.87(6) . . ?
O1 Dy1 O3 142.29(6) . . ?
O2 Dy1 O4 79.40(6) . . ?
O1 Dy1 O4 147.11(6) . . ?
O3 Dy1 O4 70.30(6) . . ?
O2 Dy1 N3 130.19(6) . . ?
O1 Dy1 N3 78.82(6) . . ?
O3 Dy1 N3 69.80(6) . . ?
O4 Dy1 N3 130.47(6) . . ?
O2 Dy1 N1 88.35(7) . . ?
O1 Dy1 N1 94.21(7) . . ?
O3 Dy1 N1 91.56(7) . . ?
O4 Dy1 N1 76.89(7) . . ?
N3 Dy1 N1 131.82(7) . . ?
O2 Dy1 N4 77.32(6) . . ?
O1 Dy1 N4 92.74(6) . . ?
O3 Dy1 N4 94.00(6) . . ?
O4 Dy1 N4 87.46(7) . . ?
N3 Dy1 N4 67.44(7) . . ?
N1 Dy1 N4 160.54(7) . . ?
O2 Dy1 N2 135.01(6) . . ?
O1 Dy1 N2 76.97(6) . . ?
O3 Dy1 N2 71.66(6) . . ?
O4 Dy1 N2 124.80(6) . . ?
N3 Dy1 N2 66.26(7) . . ?
N1 Dy1 N2 65.73(7) . . ?
N4 Dy1 N2 133.67(7) . . ?
O8 Dy2 O6 73.97(6) . . ?
O8 Dy2 O9 85.02(6) . . ?
O6 Dy2 O9 142.15(6) . . ?
O8 Dy2 O7 71.46(6) . . ?
O6 Dy2 O7 125.80(6) . . ?
O9 Dy2 O7 73.49(6) . . ?
O8 Dy2 O5 101.56(6) . . ?
O6 Dy2 O5 70.31(6) . . ?
O9 Dy2 O5 146.17(6) . . ?
O7 Dy2 O5 77.28(6) . . ?
O8 Dy2 O10 73.55(6) . . ?
O6 Dy2 O10 73.97(6) . . ?
O9 Dy2 O10 69.98(6) . . ?
O7 Dy2 O10 130.78(6) . . ?
O5 Dy2 O10 143.80(6) . . ?
O8 Dy2 O1 149.62(6) . . ?
O6 Dy2 O1 133.75(6) . . ?
O9 Dy2 O1 76.80(6) . . ?
O7 Dy2 O1 80.05(5) . . ?
O5 Dy2 O1 81.78(6) . . ?
O10 Dy2 O1 120.83(6) . . ?
O8 Dy2 O2 144.26(6) . . ?
O6 Dy2 O2 79.17(6) . . ?
O9 Dy2 O2 103.01(6) . . ?
O7 Dy2 O2 144.27(6) . . ?
O5 Dy2 O2 90.89(6) . . ?
O10 Dy2 O2 76.70(6) . . ?
O1 Dy2 O2 64.82(5) . . ?
C13 O1 Dy1 122.75(13) . . ?
C13 O1 Dy2 126.24(13) . . ?
Dy1 O1 Dy2 111.00(6) . . ?
C33 O2 Dy1 121.52(15) . . ?
C33 O2 Dy2 126.33(15) . . ?
Dy1 O2 Dy2 111.09(6) . . ?
C40 O3 Dy1 139.76(17) . . ?
C42 O4 Dy1 138.77(17) . . ?
C55 O5 Dy2 136.93(17) . . ?
C57 O6 Dy2 138.41(17) . . ?
C70 O7 Dy2 134.55(17) . . ?
C72 O8 Dy2 135.52(17) . . ?
C85 O9 Dy2 130.89(16) . . ?
C87 O10 Dy2 129.14(17) . . ?
C5 N1 C1 119.0(2) . . ?
C5 N1 Dy1 120.10(18) . . ?
C1 N1 Dy1 120.7(2) . . ?
C6 N2 C14 109.8(2) . . ?
C6 N2 C7 108.30(19) . . ?
C14 N2 C7 110.0(2) . . ?
C6 N2 Dy1 107.39(15) . . ?
C14 N2 Dy1 110.29(14) . . ?
C7 N2 Dy1 110.96(14) . . ?
C15 N3 C19 119.0(2) . . ?
C15 N3 Dy1 121.13(17) . . ?
C19 N3 Dy1 119.87(17) . . ?
C20 N4 C21 112.3(2) . . ?
C20 N4 C27 106.9(2) . . ?
C21 N4 C27 112.8(2) . . ?
C20 N4 Dy1 107.63(14) . . ?
C21 N4 Dy1 103.84(15) . . ?
C27 N4 Dy1 113.33(15) . . ?
C22 N5 C26 116.3(5) . . ?
N1 C1 C2 122.3(3) . . ?
N1 C1 H1 118.8 . . ?
C2 C1 H1 118.8 . . ?
C3 C2 C1 118.4(3) . . ?
C3 C2 H2 120.8 . . ?
C1 C2 H2 120.8 . . ?
C2 C3 C4 120.4(3) . . ?
C2 C3 H3 119.8 . . ?
C4 C3 H3 119.8 . . ?
C3 C4 C5 118.8(3) . . ?
C3 C4 H4 120.6 . . ?
C5 C4 H4 120.6 . . ?
N1 C5 C4 121.2(3) . . ?
N1 C5 C6 116.2(2) . . ?
C4 C5 C6 122.6(3) . . ?
N2 C6 C5 111.0(2) . . ?
N2 C6 H6A 109.4 . . ?
C5 C6 H6A 109.4 . . ?
N2 C6 H6B 109.4 . . ?
C5 C6 H6B 109.4 . . ?
H6A C6 H6B 108.0 . . ?
C8 C7 N2 112.5(2) . . ?
C8 C7 H7A 109.1 . . ?
N2 C7 H7A 109.1 . . ?
C8 C7 H7B 109.1 . . ?
N2 C7 H7B 109.1 . . ?
H7A C7 H7B 107.8 . . ?
C9 C8 C13 119.4(3) . . ?
C9 C8 C7 122.2(3) . . ?
C13 C8 C7 118.4(2) . . ?
C10 C9 C8 121.4(3) . . ?
C10 C9 H9 119.3 . . ?
C8 C9 H9 119.3 . . ?
C11 C10 C9 118.7(3) . . ?
C11 C10 H10 120.6 . . ?
C9 C10 H10 120.6 . . ?
C10 C11 C12 121.3(3) . . ?
C10 C11 H11 119.4 . . ?
C12 C11 H11 119.4 . . ?
C11 C12 C13 120.2(3) . . ?
C11 C12 H12 119.9 . . ?
C13 C12 H12 119.9 . . ?
O1 C13 C12 120.3(2) . . ?
O1 C13 C8 120.6(2) . . ?
C12 C13 C8 119.1(2) . . ?
N2 C14 C15 114.2(2) . . ?
N2 C14 H14A 108.7 . . ?
C15 C14 H14A 108.7 . . ?
N2 C14 H14B 108.7 . . ?
C15 C14 H14B 108.7 . . ?
H14A C14 H14B 107.6 . . ?
N3 C15 C16 121.4(3) . . ?
N3 C15 C14 118.0(2) . . ?
C16 C15 C14 120.5(3) . . ?
C17 C16 C15 119.3(3) . . ?
C17 C16 H16 120.4 . . ?
C15 C16 H16 120.4 . . ?
C16 C17 C18 119.7(3) . . ?
C16 C17 H17 120.1 . . ?
C18 C17 H17 120.1 . . ?
C17 C18 C19 119.0(3) . . ?
C17 C18 H18 120.5 . . ?
C19 C18 H18 120.5 . . ?
N3 C19 C18 121.5(3) . . ?
N3 C19 C20 116.0(2) . . ?
C18 C19 C20 122.1(3) . . ?
N4 C20 C19 114.2(2) . . ?
N4 C20 H20A 108.7 . . ?
C19 C20 H20A 108.7 . . ?
N4 C20 H20B 108.7 . . ?
C19 C20 H20B 108.7 . . ?
H20A C20 H20B 107.6 . . ?
N4 C21 C22 118.0(2) . . ?
N4 C21 H21A 107.8 . . ?
C22 C21 H21A 107.8 . . ?
N4 C21 H21B 107.8 . . ?
C22 C21 H21B 107.8 . . ?
H21A C21 H21B 107.2 . . ?
N5 C22 C23 123.3(3) . . ?
N5 C22 C21 116.1(3) . . ?
C23 C22 C21 120.5(3) . . ?
C22 C23 C24 118.6(5) . . ?
C22 C23 H23 120.7 . . ?
C24 C23 H23 120.7 . . ?
C25 C24 C23 118.2(6) . . ?
C25 C24 H24 120.9 . . ?
C23 C24 H24 120.9 . . ?
C26 C25 C24 119.2(5) . . ?
C26 C25 H25 120.4 . . ?
C24 C25 H25 120.4 . . ?
N5 C26 C25 124.3(6) . . ?
N5 C26 H26 117.8 . . ?
C25 C26 H26 117.8 . . ?
C28 C27 N4 116.3(2) . . ?
C28 C27 H27A 108.2 . . ?
N4 C27 H27A 108.2 . . ?
C28 C27 H27B 108.2 . . ?
N4 C27 H27B 108.2 . . ?
H27A C27 H27B 107.4 . . ?
C33 C28 C29 118.9(3) . . ?
C33 C28 C27 119.4(2) . . ?
C29 C28 C27 121.1(3) . . ?
C30 C29 C28 121.3(4) . . ?
C30 C29 H29 119.4 . . ?
C28 C29 H29 119.4 . . ?
C31 C30 C29 119.8(3) . . ?
C31 C30 H30 120.1 . . ?
C29 C30 H30 120.1 . . ?
C30 C31 C32 120.8(4) . . ?
C30 C31 H31 119.6 . . ?
C32 C31 H31 119.6 . . ?
C33 C32 C31 120.0(4) . . ?
C33 C32 H32 120.0 . . ?
C31 C32 H32 120.0 . . ?
O2 C33 C32 121.2(3) . . ?
O2 C33 C28 119.5(3) . . ?
C32 C33 C28 119.2(3) . . ?
C35 C34 C39 121.6(3) . . ?
C35 C34 H34 119.2 . . ?
C39 C34 H34 119.2 . . ?
C36 C35 C34 119.8(3) . . ?
C36 C35 H35 120.1 . . ?
C34 C35 H35 120.1 . . ?
C35 C36 C37 120.0(3) . . ?
C35 C36 H36 120.0 . . ?
C37 C36 H36 120.0 . . ?
C36 C37 C38 120.5(3) . . ?
C36 C37 H37 119.7 . . ?
C38 C37 H37 119.7 . . ?
C37 C38 C39 120.3(3) . . ?
C37 C38 H38 119.8 . . ?
C39 C38 H38 119.8 . . ?
C34 C39 C38 117.7(3) . . ?
C34 C39 C40 120.1(3) . . ?
C38 C39 C40 122.2(2) . . ?
O3 C40 C41 123.4(2) . . ?
O3 C40 C39 115.5(2) . . ?
C41 C40 C39 121.0(2) . . ?
C40 C41 C42 123.4(2) . . ?
C40 C41 H41 118.3 . . ?
C42 C41 H41 118.3 . . ?
O4 C42 C41 123.6(2) . . ?
O4 C42 C43 116.9(2) . . ?
C41 C42 C43 119.5(2) . . ?
C48 C43 C44 116.9(6) . . ?
C48A C43 C44 115.9(8) . . ?
C48 C43 C42 118.8(6) . . ?
C48A C43 C42 118.4(8) . . ?
C44 C43 C42 123.8(3) . . ?
C43 C44 C45 121.5(3) . . ?
C43 C44 H44 119.2 . . ?
C45 C44 H44 119.2 . . ?
C46 C45 C44 120.5(3) . . ?
C46 C45 H45 119.8 . . ?
C44 C45 H45 119.8 . . ?
C45 C46 C47A 117.8(8) . . ?
C45 C46 C47 117.3(6) . . ?
C45 C46 H46 121.3 . . ?
C47 C46 H46 121.3 . . ?
C45 C46 H46A 121.1 . . ?
C47A C46 H46A 121.1 . . ?
C48 C47 C46 120.2(9) . . ?
C48 C47 H47 119.9 . . ?
C46 C47 H47 119.9 . . ?
C43 C48 C47 120.8(10) . . ?
C43 C48 H48 119.6 . . ?
C47 C48 H48 119.6 . . ?
C46 C47A C48A 119.0(13) . . ?
C46 C47A H47A 120.5 . . ?
C48A C47A H47A 120.5 . . ?
C43 C48A C47A 121.2(14) . . ?
C43 C48A H48A 119.4 . . ?
C47A C48A H48A 119.4 . . ?
C54 C49 C50 122.2(4) . . ?
C54 C49 H49 118.9 . . ?
C50 C49 H49 118.9 . . ?
C51 C50 C49 119.1(4) . . ?
C51 C50 H50 120.4 . . ?
C49 C50 H50 120.4 . . ?
C52 C51 C50 119.7(4) . . ?
C52 C51 H51 120.1 . . ?
C50 C51 H51 120.1 . . ?
C51 C52 C53 121.0(4) . . ?
C51 C52 H52 119.5 . . ?
C53 C52 H52 119.5 . . ?
C54 C53 C52 120.0(4) . . ?
C54 C53 H53 120.0 . . ?
C52 C53 H53 120.0 . . ?
C49 C54 C53 117.9(3) . . ?
C49 C54 C55 119.8(3) . . ?
C53 C54 C55 122.2(3) . . ?
O5 C55 C56 124.2(2) . . ?
O5 C55 C54 115.9(2) . . ?
C56 C55 C54 119.8(2) . . ?
C55 C56 C57 123.6(2) . . ?
C55 C56 H56 118.2 . . ?
C57 C56 H56 118.2 . . ?
O6 C57 C56 123.7(2) . . ?
O6 C57 C58 115.8(3) . . ?
C56 C57 C58 120.4(2) . . ?
C63 C58 C59 118.8(3) . . ?
C63 C58 C57 118.9(3) . . ?
C59 C58 C57 122.3(3) . . ?
C58 C59 C60 119.5(4) . . ?
C58 C59 H59 120.3 . . ?
C60 C59 H59 120.3 . . ?
C61 C60 C59 121.3(5) . . ?
C61 C60 H60 119.4 . . ?
C59 C60 H60 119.4 . . ?
C60 C61 C62 119.3(5) . . ?
C60 C61 H61 120.4 . . ?
C62 C61 H61 120.4 . . ?
C61 C62 C63 121.5(5) . . ?
C61 C62 H62 119.2 . . ?
C63 C62 H62 119.2 . . ?
C58 C63 C62 119.7(4) . . ?
C58 C63 H63 120.2 . . ?
C62 C63 H63 120.2 . . ?
C69 C64 C65 121.1(3) . . ?
C69 C64 H64 119.4 . . ?
C65 C64 H64 119.4 . . ?
C66 C65 C64 119.7(3) . . ?
C66 C65 H65 120.1 . . ?
C64 C65 H65 120.1 . . ?
C67 C66 C65 120.1(3) . . ?
C67 C66 H66 120.0 . . ?
C65 C66 H66 120.0 . . ?
C66 C67 C68 120.4(3) . . ?
C66 C67 H67 119.8 . . ?
C68 C67 H67 119.8 . . ?
C67 C68 C69 120.6(3) . . ?
C67 C68 H68 119.7 . . ?
C69 C68 H68 119.7 . . ?
C64 C69 C68 117.9(3) . . ?
C64 C69 C70 119.3(2) . . ?
C68 C69 C70 122.7(3) . . ?
O7 C70 C71 123.9(2) . . ?
O7 C70 C69 117.1(2) . . ?
C71 C70 C69 119.0(2) . . ?
C72 C71 C70 124.2(2) . . ?
C72 C71 H71 117.9 . . ?
C70 C71 H71 117.9 . . ?
O8 C72 C71 124.4(2) . . ?
O8 C72 C73 115.4(3) . . ?
C71 C72 C73 120.2(2) . . ?
C78 C73 C74 118.3(3) . . ?
C78 C73 C72 118.6(3) . . ?
C74 C73 C72 123.1(3) . . ?
C73 C74 C75 120.0(4) . . ?
C73 C74 H74 120.0 . . ?
C75 C74 H74 120.0 . . ?
C76 C75 C74 120.8(5) . . ?
C76 C75 H75 119.6 . . ?
C74 C75 H75 119.6 . . ?
C77 C76 C75 119.3(4) . . ?
C77 C76 H76 120.3 . . ?
C75 C76 H76 120.3 . . ?
C76 C77 C78 120.5(5) . . ?
C76 C77 H77 119.7 . . ?
C78 C77 H77 119.7 . . ?
C73 C78 C77 121.0(4) . . ?
C73 C78 H78 119.5 . . ?
C77 C78 H78 119.5 . . ?
C84 C79 C80 121.2(3) . . ?
C84 C79 H79 119.4 . . ?
C80 C79 H79 119.4 . . ?
C81 C80 C79 119.9(4) . . ?
C81 C80 H80 120.0 . . ?
C79 C80 H80 120.0 . . ?
C82 C81 C80 119.8(4) . . ?
C82 C81 H81 120.1 . . ?
C80 C81 H81 120.1 . . ?
C81 C82 C83 120.5(4) . . ?
C81 C82 H82 119.8 . . ?
C83 C82 H82 119.8 . . ?
C84 C83 C82 121.5(4) . . ?
C84 C83 H83 119.2 . . ?
C82 C83 H83 119.2 . . ?
C83 C84 C79 117.0(3) . . ?
C83 C84 C85 124.0(3) . . ?
C79 C84 C85 119.0(3) . . ?
O9 C85 C86 123.7(2) . . ?
O9 C85 C84 115.5(2) . . ?
C86 C85 C84 120.8(2) . . ?
C87 C86 C85 123.4(2) . . ?
C87 C86 H86 118.3 . . ?
C85 C86 H86 118.3 . . ?
O10 C87 C86 124.2(3) . . ?
O10 C87 C88 115.7(3) . . ?
C86 C87 C88 120.1(3) . . ?
C93 C88 C89 116.9(3) . . ?
C93 C88 C87 119.4(3) . . ?
C89 C88 C87 123.5(3) . . ?
C88 C89 C90 120.8(4) . . ?
C88 C89 H89 119.6 . . ?
C90 C89 H89 119.6 . . ?
C91 C90 C89 121.4(5) . . ?
C91 C90 H90 119.3 . . ?
C89 C90 H90 119.3 . . ?
C92 C91 C90 118.7(5) . . ?
C92 C91 H91 120.6 . . ?
C90 C91 H91 120.6 . . ?
C91 C92 C93 120.9(5) . . ?
C91 C92 H92 119.6 . . ?
C93 C92 H92 119.6 . . ?
C88 C93 C92 121.1(4) . . ?
C88 C93 H93 119.4 . . ?
C92 C93 H93 119.4 . . ?
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 O2 2.2865(17) . ?
Dy1 O1 2.3128(15) . ?
Dy1 O3 2.3284(18) . ?
Dy1 O4 2.3419(18) . ?
Dy1 N3 2.478(2) . ?
Dy1 N1 2.492(2) . ?
Dy1 N4 2.578(2) . ?
Dy1 N2 2.608(2) . ?
Dy2 O8 2.3228(17) . ?
Dy2 O6 2.3392(17) . ?
Dy2 O9 2.3450(16) . ?
Dy2 O7 2.3680(17) . ?
Dy2 O5 2.3701(18) . ?
Dy2 O10 2.3724(18) . ?
Dy2 O1 2.4074(16) . ?
Dy2 O2 2.4305(16) . ?
O1 C13 1.352(3) . ?
O2 C33 1.351(3) . ?
O3 C40 1.275(3) . ?
O4 C42 1.267(3) . ?
O5 C55 1.267(3) . ?
O6 C57 1.250(3) . ?
O7 C70 1.265(3) . ?
O8 C72 1.263(3) . ?
O9 C85 1.266(3) . ?
O10 C87 1.267(3) . ?
N1 C5 1.335(4) . ?
N1 C1 1.341(4) . ?
N2 C6 1.474(3) . ?
N2 C14 1.477(3) . ?
N2 C7 1.493(3) . ?
N3 C15 1.336(3) . ?
N3 C19 1.341(3) . ?
N4 C20 1.480(3) . ?
N4 C21 1.489(3) . ?
N4 C27 1.498(3) . ?
N5 C22 1.329(5) . ?
N5 C26 1.339(6) . ?
C1 C2 1.371(4) . ?
C1 H1 0.9300 . ?
C2 C3 1.351(5) . ?
C2 H2 0.9300 . ?
C3 C4 1.373(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.378(4) . ?
C4 H4 0.9300 . ?
C5 C6 1.493(4) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 C8 1.487(4) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C9 1.390(4) . ?
C8 C13 1.392(3) . ?
C9 C10 1.375(5) . ?
C9 H9 0.9300 . ?
C10 C11 1.369(5) . ?
C10 H10 0.9300 . ?
C11 C12 1.382(4) . ?
C11 H11 0.9300 . ?
C12 C13 1.384(3) . ?
C12 H12 0.9300 . ?
C14 C15 1.489(4) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.382(4) . ?
C16 C17 1.360(5) . ?
C16 H16 0.9300 . ?
C17 C18 1.362(5) . ?
C17 H17 0.9300 . ?
C18 C19 1.381(4) . ?
C18 H18 0.9300 . ?
C19 C20 1.496(4) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 C22 1.503(4) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 C23 1.366(5) . ?
C23 C24 1.394(6) . ?
C23 H23 0.9300 . ?
C24 C25 1.359(9) . ?
C24 H24 0.9300 . ?
C25 C26 1.344(9) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C27 C28 1.493(4) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C28 C33 1.395(4) . ?
C28 C29 1.398(4) . ?
C29 C30 1.373(5) . ?
C29 H29 0.9300 . ?
C30 C31 1.355(5) . ?
C30 H30 0.9300 . ?
C31 C32 1.394(4) . ?
C31 H31 0.9300 . ?
C32 C33 1.393(4) . ?
C32 H32 0.9300 . ?
C34 C35 1.373(4) . ?
C34 C39 1.383(4) . ?
C34 H34 0.9300 . ?
C35 C36 1.365(5) . ?
C35 H35 0.9300 . ?
C36 C37 1.365(5) . ?
C36 H36 0.9300 . ?
C37 C38 1.382(4) . ?
C37 H37 0.9300 . ?
C38 C39 1.389(4) . ?
C38 H38 0.9300 . ?
C39 C40 1.493(4) . ?
C40 C41 1.384(4) . ?
C41 C42 1.397(4) . ?
C41 H41 0.9300 . ?
C42 C43 1.493(4) . ?
C43 C48 1.358(7) . ?
C43 C48A 1.371(9) . ?
C43 C44 1.376(4) . ?
C44 C45 1.376(4) . ?
C44 H44 0.9300 . ?
C45 C46 1.338(4) . ?
C45 H45 0.9300 . ?
C46 C47A 1.374(9) . ?
C46 C47 1.384(8) . ?
C46 H46 0.9300 . ?
C46 H46A 0.9300 . ?
C47 C48 1.378(7) . ?
C47 H47 0.9300 . ?
C48 H48 0.9300 . ?
C47A C48A 1.394(8) . ?
C47A H47A 0.9300 . ?
C48A H48A 0.9300 . ?
C49 C54 1.366(4) . ?
C49 C50 1.378(5) . ?
C49 H49 0.9300 . ?
C50 C51 1.359(6) . ?
C50 H50 0.9300 . ?
C51 C52 1.355(7) . ?
C51 H51 0.9300 . ?
C52 C53 1.384(6) . ?
C52 H52 0.9300 . ?
C53 C54 1.371(4) . ?
C53 H53 0.9300 . ?
C54 C55 1.491(4) . ?
C55 C56 1.391(4) . ?
C56 C57 1.397(4) . ?
C56 H56 0.9300 . ?
C57 C58 1.501(4) . ?
C58 C63 1.360(5) . ?
C58 C59 1.386(4) . ?
C59 C60 1.391(5) . ?
C59 H59 0.9300 . ?
C60 C61 1.340(7) . ?
C60 H60 0.9300 . ?
C61 C62 1.341(7) . ?
C61 H61 0.9300 . ?
C62 C63 1.395(5) . ?
C62 H62 0.9300 . ?
C63 H63 0.9300 . ?
C64 C69 1.372(4) . ?
C64 C65 1.385(4) . ?
C64 H64 0.9300 . ?
C65 C66 1.372(5) . ?
C65 H65 0.9300 . ?
C66 C67 1.356(5) . ?
C66 H66 0.9300 . ?
C67 C68 1.378(4) . ?
C67 H67 0.9300 . ?
C68 C69 1.393(4) . ?
C68 H68 0.9300 . ?
C69 C70 1.493(4) . ?
C70 C71 1.403(4) . ?
C71 C72 1.386(4) . ?
C71 H71 0.9300 . ?
C72 C73 1.499(4) . ?
C73 C78 1.373(5) . ?
C73 C74 1.380(5) . ?
C74 C75 1.388(5) . ?
C74 H74 0.9300 . ?
C75 C76 1.364(7) . ?
C75 H75 0.9300 . ?
C76 C77 1.352(6) . ?
C76 H76 0.9300 . ?
C77 C78 1.385(5) . ?
C77 H77 0.9300 . ?
C78 H78 0.9300 . ?
C79 C84 1.376(4) . ?
C79 C80 1.385(4) . ?
C79 H79 0.9300 . ?
C80 C81 1.360(6) . ?
C80 H80 0.9300 . ?
C81 C82 1.340(6) . ?
C81 H81 0.9300 . ?
C82 C83 1.382(5) . ?
C82 H82 0.9300 . ?
C83 C84 1.369(4) . ?
C83 H83 0.9300 . ?
C84 C85 1.498(4) . ?
C85 C86 1.399(4) . ?
C86 C87 1.386(4) . ?
C86 H86 0.9300 . ?
C87 C88 1.501(4) . ?
C88 C93 1.358(5) . ?
C88 C89 1.371(5) . ?
C89 C90 1.375(6) . ?
C89 H89 0.9300 . ?
C90 C91 1.336(7) . ?
C90 H90 0.9300 . ?
C91 C92 1.334(7) . ?
C91 H91 0.9300 . ?
C92 C93 1.384(6) . ?
C92 H92 0.9300 . ?
C93 H93 0.9300 . ?
