# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_S-2
_database_code_depnum_ccdc_archive 'CCDC 1521152'
_audit_update_record             
;
2017-02-24 deposited with the CCDC.
2017-04-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C201 H190 Eu4 N8 O34'
_chemical_formula_weight         3869.44

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'
Eu Eu -0.1578 3.6682 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

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

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

_cell_length_a                   17.5649(9)
_cell_length_b                   19.2624(10)
_cell_length_c                   26.7346(12)
_cell_angle_alpha                90
_cell_angle_beta                 100.137(2)
_cell_angle_gamma                90
_cell_volume                     8904.2(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9442
_cell_measurement_theta_min      2.35
_cell_measurement_theta_max      30.02

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.443
_exptl_crystal_F_000             3952
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_min          0.209
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_max          0.669
_exptl_absorpt_coefficient_mu    1.467
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan'
_exptl_absorpt_correction_T_min  0.6625
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            54543
_diffrn_reflns_av_unetI/netI     0.0886
_diffrn_reflns_av_R_equivalents  0.0870
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_theta_min         2.103
_diffrn_reflns_theta_max         30.572
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             54543
_reflns_number_gt                39990
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.946
_reflns_Friedel_fraction_max     0.997
_reflns_Friedel_fraction_full    0.999

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0095P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 16039 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.0032(19)
_chemical_absolute_configuration rmad
_refine_ls_number_reflns         54543
_refine_ls_number_parameters     2186
_refine_ls_number_restraints     960
_refine_ls_R_factor_all          0.0596
_refine_ls_R_factor_gt           0.0283
_refine_ls_wR_factor_ref         0.0493
_refine_ls_wR_factor_gt          0.0457
_refine_ls_goodness_of_fit_ref   0.941
_refine_ls_restrained_S_all      0.941
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1A Eu 0.69412(2) -0.01159(2) 0.18400(2) 0.01532(6) Uani 1 1 d . U . . .
Eu2A Eu 0.80944(2) 0.02520(2) 0.07191(2) 0.01547(5) Uani 1 1 d . U . . .
O1A O 0.80419(19) -0.08192(16) 0.19087(12) 0.0340(8) Uani 1 1 d . U . . .
O2A O 0.86451(18) -0.06907(15) 0.12456(11) 0.0317(8) Uani 1 1 d . U . . .
O3A O 0.81646(19) 0.06471(16) 0.15656(12) 0.0322(8) Uani 1 1 d . U . . .
O4A O 0.79066(18) 0.05906(15) 0.23427(11) 0.0357(8) Uani 1 1 d . U . . .
O5A O 0.64280(19) 0.08211(15) 0.13159(11) 0.0324(8) Uani 1 1 d . U . . .
O6A O 0.6990(2) 0.09532(16) 0.06332(12) 0.0329(8) Uani 1 1 d . U . . .
O7A O 0.69778(18) -0.04471(15) 0.09990(11) 0.0306(8) Uani 1 1 d . U . . .
O8A O 0.71811(18) -0.05646(15) 0.02195(11) 0.0342(8) Uani 1 1 d . U . . .
O9A O 0.63742(19) -0.13015(15) 0.18158(11) 0.0323(8) Uani 1 1 d . U . . .
O10A O 0.55657(18) -0.04362(16) 0.17708(11) 0.0365(8) Uani 1 1 d . U . . .
O11A O 0.8568(2) 0.14505(16) 0.06356(11) 0.0329(8) Uani 1 1 d D U . . .
O12A O 0.94514(18) 0.06247(17) 0.07956(12) 0.0358(8) Uani 1 1 d . U . . .
N1A N 0.6972(2) -0.05725(19) 0.27532(14) 0.0304(9) Uani 1 1 d . U . . .
N2A N 0.6360(2) 0.06887(19) 0.24446(14) 0.0322(9) Uani 1 1 d . U . . .
N3A N 0.8774(2) -0.05094(18) 0.01131(13) 0.0324(9) Uani 1 1 d . U . . .
N4A N 0.7944(2) 0.06453(19) -0.02188(14) 0.0292(9) Uani 1 1 d . U . . .
C1A C 0.8596(3) -0.0920(2) 0.16816(18) 0.0333(12) Uani 1 1 d . U . . .
C2A C 0.9261(3) -0.1353(3) 0.19619(19) 0.0418(12) Uani 1 1 d . U . . .
H2A H 0.901598 -0.171754 0.213436 0.050 Uiso 1 1 calc R U . A 1
C3A C 0.9724(3) -0.1732(2) 0.16261(18) 0.0465(13) Uani 1 1 d . U . . .
H3AA H 0.938316 -0.200123 0.138014 0.070 Uiso 1 1 calc R U . . .
H3AB H 1.008845 -0.203425 0.182940 0.070 Uiso 1 1 calc R U . . .
H3AC H 0.999699 -0.140228 0.145411 0.070 Uiso 1 1 calc R U . . .
C4A C 0.9720(4) -0.0988(3) 0.2346(2) 0.0376(15) Uani 0.793(5) 1 d . U P B 1
C5A C 0.9897(4) -0.0282(3) 0.2310(3) 0.0523(19) Uani 0.793(5) 1 d . U P B 1
H5A H 0.971849 -0.004766 0.200763 0.063 Uiso 0.793(5) 1 calc R U P B 1
C6A C 1.0323(4) 0.0069(3) 0.2706(3) 0.0520(19) Uani 0.793(5) 1 d . U P B 1
H6A H 1.041961 0.053953 0.267008 0.062 Uiso 0.793(5) 1 calc R U P B 1
C7A C 1.0606(5) -0.0249(4) 0.3145(3) 0.0491(18) Uani 0.793(5) 1 d . U P B 1
H7A H 1.089547 -0.000397 0.341227 0.059 Uiso 0.793(5) 1 calc R U P B 1
C8A C 1.0459(4) -0.0944(3) 0.3193(2) 0.0497(18) Uani 0.793(5) 1 d . U P B 1
H8A H 1.065671 -0.117159 0.349449 0.060 Uiso 0.793(5) 1 calc R U P B 1
C9A C 1.0023(3) -0.1309(3) 0.2800(2) 0.0439(17) Uani 0.793(5) 1 d . U P B 1
H9A H 0.993120 -0.177960 0.284104 0.053 Uiso 0.793(5) 1 calc R U P B 1
C4C C 0.9894(10) -0.0733(9) 0.2256(8) 0.060(4) Uani 0.207(5) 1 d G U P B 2
C5C C 1.0210(11) -0.0218(10) 0.1990(5) 0.060(4) Uani 0.207(5) 1 d G U P B 2
H5C H 1.008276 -0.019936 0.163777 0.072 Uiso 0.207(5) 1 calc R U P B 2
C6C C 1.0715(9) 0.0267(8) 0.2251(6) 0.060(4) Uani 0.207(5) 1 d G U P B 2
H6C H 1.092648 0.061102 0.207352 0.072 Uiso 0.207(5) 1 calc R U P B 2
C7C C 1.0905(10) 0.0238(9) 0.2778(6) 0.060(4) Uani 0.207(5) 1 d G U P B 2
H7C H 1.124278 0.056334 0.295272 0.072 Uiso 0.207(5) 1 calc R U P B 2
C8C C 1.0589(13) -0.0276(11) 0.3044(5) 0.060(4) Uani 0.207(5) 1 d G U P B 2
H8C H 1.071535 -0.029472 0.339619 0.072 Uiso 0.207(5) 1 calc R U P B 2
C9C C 1.0083(12) -0.0761(10) 0.2783(8) 0.060(4) Uani 0.207(5) 1 d G U P B 2
H9C H 0.987163 -0.110512 0.296045 0.072 Uiso 0.207(5) 1 calc R U P B 2
C10A C 0.8273(3) 0.0852(2) 0.20296(18) 0.0352(12) Uani 1 1 d . U . . .
C11A C 0.8817(3) 0.1438(2) 0.22240(17) 0.0356(12) Uani 1 1 d . U . . .
H11A H 0.911082 0.129641 0.255433 0.043 Uiso 1 1 calc R U . . .
C12A C 0.9402(3) 0.1631(2) 0.18812(17) 0.0460(13) Uani 1 1 d . U . . .
H12A H 0.913485 0.183880 0.157368 0.069 Uiso 1 1 calc R U . . .
H12B H 0.966463 0.121946 0.180021 0.069 Uiso 1 1 calc R U . . .
H12C H 0.977268 0.195364 0.205588 0.069 Uiso 1 1 calc R U . . .
C13A C 0.83353(18) 0.20723(13) 0.23117(12) 0.0382(12) Uani 1 1 d G U . . .
C14A C 0.7735(2) 0.22965(16) 0.19368(10) 0.0497(14) Uani 1 1 d G U . . .
H14A H 0.762778 0.206375 0.162760 0.060 Uiso 1 1 calc R U . . .
C15A C 0.72938(17) 0.28687(17) 0.20239(12) 0.0501(15) Uani 1 1 d G U . . .
H15A H 0.689201 0.301875 0.177306 0.060 Uiso 1 1 calc R U . . .
C16A C 0.74536(18) 0.32166(14) 0.24860(14) 0.0516(15) Uani 1 1 d G U . . .
H16A H 0.715866 0.359944 0.254434 0.062 Uiso 1 1 calc R U . . .
C17A C 0.8054(2) 0.29924(15) 0.28610(10) 0.0451(13) Uani 1 1 d G U . . .
H17A H 0.816108 0.322513 0.317016 0.054 Uiso 1 1 calc R U . . .
C18A C 0.84950(16) 0.24202(16) 0.27738(10) 0.0403(12) Uani 1 1 d G U . . .
H18A H 0.889685 0.227013 0.302471 0.048 Uiso 1 1 calc R U . . .
C19A C 0.6429(3) 0.1032(2) 0.08756(19) 0.0341(12) Uani 1 1 d . U . . .
C20A C 0.5708(3) 0.1391(3) 0.05978(18) 0.0387(13) Uani 1 1 d . U . . .
H20A H 0.586024 0.163744 0.031004 0.046 Uiso 1 1 calc R U . . .
C21A C 0.5132(3) 0.0831(3) 0.0373(2) 0.0596(15) Uani 1 1 d . U . . .
H21A H 0.465796 0.104571 0.021256 0.089 Uiso 1 1 calc R U . . .
H21B H 0.503009 0.052851 0.063907 0.089 Uiso 1 1 calc R U . . .
H21C H 0.534440 0.056646 0.012607 0.089 Uiso 1 1 calc R U . . .
C22A C 0.5384(2) 0.19201(15) 0.09053(12) 0.0428(13) Uani 1 1 d G U . . .
C23A C 0.56452(18) 0.25953(18) 0.08636(12) 0.0550(15) Uani 1 1 d G U . . .
H23A H 0.600110 0.269076 0.065316 0.066 Uiso 1 1 calc R U . . .
C24A C 0.5374(2) 0.31277(14) 0.11364(14) 0.0699(17) Uani 1 1 d G U . . .
H24A H 0.554909 0.357942 0.110847 0.084 Uiso 1 1 calc R U . . .
C25A C 0.4842(2) 0.29850(19) 0.14509(13) 0.0695(18) Uani 1 1 d G U . . .
H25A H 0.466121 0.334124 0.163337 0.083 Uiso 1 1 calc R U . . .
C26A C 0.45812(19) 0.2310(2) 0.14926(12) 0.0653(17) Uani 1 1 d G U . . .
H26A H 0.422533 0.221439 0.170297 0.078 Uiso 1 1 calc R U . . .
C27A C 0.4852(2) 0.17774(16) 0.12198(13) 0.0608(16) Uani 1 1 d G U . . .
H27A H 0.467732 0.132572 0.124767 0.073 Uiso 1 1 calc R U . . .
C28A C 0.6869(3) -0.0779(2) 0.05887(18) 0.0344(11) Uani 1 1 d . U . . .
C29A C 0.6380(3) -0.1431(2) 0.05109(17) 0.0361(11) Uani 1 1 d . U . . .
H29A H 0.629071 -0.157626 0.084713 0.043 Uiso 1 1 calc R U . . .
C30A C 0.5582(3) -0.1226(2) 0.01994(18) 0.0440(12) Uani 1 1 d . U . . .
H30A H 0.563127 -0.114437 -0.014760 0.066 Uiso 1 1 calc R U . . .
H30B H 0.540016 -0.081179 0.033957 0.066 Uiso 1 1 calc R U . . .
H30C H 0.521929 -0.159581 0.021348 0.066 Uiso 1 1 calc R U . . .
C31A C 0.6811(3) -0.2015(2) 0.03083(17) 0.0362(11) Uani 1 1 d . U . . .
C32A C 0.7564(3) -0.2161(2) 0.05407(18) 0.0432(13) Uani 1 1 d . U . . .
H32A H 0.779747 -0.189350 0.081479 0.052 Uiso 1 1 calc R U . . .
C33A C 0.7967(3) -0.2694(2) 0.0371(2) 0.0472(13) Uani 1 1 d . U . . .
H33A H 0.847147 -0.278457 0.053103 0.057 Uiso 1 1 calc R U . . .
C34A C 0.7633(3) -0.3097(2) -0.0034(2) 0.0495(14) Uani 1 1 d . U . . .
H34A H 0.790333 -0.346667 -0.014282 0.059 Uiso 1 1 calc R U . . .
C35A C 0.6897(3) -0.2946(2) -0.02745(19) 0.0504(14) Uani 1 1 d . U . . .
H35A H 0.667163 -0.320042 -0.055773 0.061 Uiso 1 1 calc R U . . .
C36A C 0.6493(3) -0.2419(2) -0.00966(18) 0.0406(12) Uani 1 1 d . U . . .
H36A H 0.598760 -0.233237 -0.025599 0.049 Uiso 1 1 calc R U . . .
C37A C 0.5704(3) -0.1070(3) 0.18325(18) 0.0339(12) Uani 1 1 d . U . . .
C38A C 0.5071(3) -0.1564(3) 0.19245(18) 0.0426(13) Uani 1 1 d . U . . .
H38A H 0.532528 -0.197003 0.210121 0.051 Uiso 1 1 calc R U . . .
C39A C 0.4574(3) -0.1241(3) 0.22731(19) 0.0594(15) Uani 1 1 d . U . . .
H39A H 0.433794 -0.082424 0.212040 0.089 Uiso 1 1 calc R U . . .
H39B H 0.489043 -0.113005 0.259370 0.089 Uiso 1 1 calc R U . . .
H39C H 0.417836 -0.156283 0.232555 0.089 Uiso 1 1 calc R U . . .
C40A C 0.4601(3) -0.1824(2) 0.14117(19) 0.0376(12) Uani 1 1 d . U . . .
C41A C 0.3941(3) -0.1502(2) 0.11742(19) 0.0473(13) Uani 1 1 d . U . . .
H41A H 0.376108 -0.111381 0.132417 0.057 Uiso 1 1 calc R U . . .
C42A C 0.3536(3) -0.1741(3) 0.07184(19) 0.0529(14) Uani 1 1 d . U . . .
H42A H 0.308237 -0.152162 0.056611 0.063 Uiso 1 1 calc R U . . .
C43A C 0.3809(3) -0.2302(3) 0.04926(18) 0.0499(13) Uani 1 1 d . U . . .
H43A H 0.353867 -0.246333 0.018389 0.060 Uiso 1 1 calc R U . . .
C44A C 0.4473(3) -0.2629(2) 0.07146(18) 0.0485(13) Uani 1 1 d . U . . .
H44A H 0.465477 -0.301048 0.055840 0.058 Uiso 1 1 calc R U . . .
C45A C 0.4872(3) -0.2386(2) 0.11737(19) 0.0432(13) Uani 1 1 d . U . . .
H45A H 0.532737 -0.260429 0.132401 0.052 Uiso 1 1 calc R U . . .
C46A C 0.9259(3) 0.1241(3) 0.06698(19) 0.0409(13) Uani 1 1 d . U . . .
C47A C 0.9858(3) 0.1737(2) 0.05175(18) 0.0403(12) Uani 1 1 d . U . . .
H47A H 0.965972 0.221201 0.052605 0.048 Uiso 1 1 calc R U . . .
C48A C 1.0636(3) 0.1693(3) 0.08883(18) 0.0545(15) Uani 1 1 d . U . . .
H48A H 1.080699 0.121951 0.091715 0.082 Uiso 1 1 calc R U . . .
H48B H 1.057019 0.186135 0.121616 0.082 Uiso 1 1 calc R U . . .
H48C H 1.101397 0.197206 0.076240 0.082 Uiso 1 1 calc R U . . .
C49A C 0.9914(3) 0.1557(2) -0.00406(18) 0.0395(11) Uani 1 1 d . U . . .
C50A C 1.0391(3) 0.1033(2) -0.01411(18) 0.0445(12) Uani 1 1 d . U . . .
H50A H 1.067633 0.078158 0.012437 0.053 Uiso 1 1 calc R U . . .
C51A C 1.0448(3) 0.0877(3) -0.0644(2) 0.0539(14) Uani 1 1 d . U . . .
H51A H 1.077039 0.052187 -0.071670 0.065 Uiso 1 1 calc R U . . .
C52A C 1.0020(3) 0.1257(3) -0.1029(2) 0.0530(14) Uani 1 1 d . U . . .
H52A H 1.005731 0.116017 -0.136514 0.064 Uiso 1 1 calc R U . . .
C53A C 0.9541(3) 0.1773(3) -0.0925(2) 0.0509(13) Uani 1 1 d . U . . .
H53A H 0.924473 0.202344 -0.118704 0.061 Uiso 1 1 calc R U . . .
C54A C 0.9501(3) 0.1919(2) -0.04285(18) 0.0413(12) Uani 1 1 d . U . . .
H54A H 0.918082 0.227629 -0.035683 0.050 Uiso 1 1 calc R U . . .
C55A C 0.7287(3) -0.1172(2) 0.29048(17) 0.0351(12) Uani 1 1 d . U . . .
H55A H 0.750331 -0.143636 0.267456 0.042 Uiso 1 1 calc R U . . .
C56A C 0.7314(3) -0.1428(2) 0.33927(18) 0.0413(13) Uani 1 1 d . U . . .
H56A H 0.753080 -0.186120 0.348063 0.050 Uiso 1 1 calc R U . . .
C57A C 0.7019(3) -0.1040(2) 0.37457(18) 0.0429(13) Uani 1 1 d . U . . .
H57A H 0.703865 -0.120410 0.407503 0.052 Uiso 1 1 calc R U . . .
C58A C 0.6688(3) -0.0396(2) 0.36000(17) 0.0358(11) Uani 1 1 d . U . . .
C59A C 0.6687(3) -0.0193(3) 0.30988(17) 0.0361(12) Uani 1 1 d . U . . .
C60A C 0.6363(3) 0.0492(2) 0.29401(18) 0.0359(12) Uani 1 1 d . U . . .
C61A C 0.6391(3) 0.0041(3) 0.39386(18) 0.0454(15) Uani 1 1 d . U . . .
H61A H 0.640281 -0.010515 0.427154 0.054 Uiso 1 1 calc R U . . .
C62A C 0.6087(3) 0.0670(3) 0.37920(19) 0.0478(14) Uani 1 1 d . U . . .
H62A H 0.588430 0.094583 0.402222 0.057 Uiso 1 1 calc R U . . .
C63A C 0.6075(3) 0.0913(3) 0.32848(18) 0.0411(13) Uani 1 1 d . U . . .
C64A C 0.5789(3) 0.1562(3) 0.31333(18) 0.0502(15) Uani 1 1 d . U . . .
H64A H 0.559628 0.185465 0.335807 0.060 Uiso 1 1 calc R U . . .
C65A C 0.5797(3) 0.1762(3) 0.2644(2) 0.0549(15) Uani 1 1 d . U . . .
H65A H 0.561030 0.219576 0.252850 0.066 Uiso 1 1 calc R U . . .
C66A C 0.6089(3) 0.1309(2) 0.23247(18) 0.0437(13) Uani 1 1 d . U . . .
H66A H 0.609282 0.145950 0.199456 0.052 Uiso 1 1 calc R U . . .
C67A C 0.9165(3) -0.1085(3) 0.02596(19) 0.0472(13) Uani 1 1 d . U . . .
H67A H 0.921114 -0.120959 0.059976 0.057 Uiso 1 1 calc R U . . .
C68A C 0.9511(3) -0.1520(3) -0.00495(19) 0.0531(15) Uani 1 1 d . U . . .
H68A H 0.977958 -0.191523 0.007956 0.064 Uiso 1 1 calc R U . . .
C69A C 0.9441(3) -0.1342(3) -0.05546(19) 0.0451(14) Uani 1 1 d . U . . .
H69A H 0.965951 -0.162124 -0.077531 0.054 Uiso 1 1 calc R U . . .
C70A C 0.9034(3) -0.0731(2) -0.07364(17) 0.0372(12) Uani 1 1 d . U . . .
C71A C 0.8721(3) -0.0341(3) -0.03792(17) 0.0343(11) Uani 1 1 d . U . . .
C72A C 0.8278(2) 0.0260(3) -0.05644(16) 0.0334(10) Uani 1 1 d . U . . .
C73A C 0.8938(3) -0.0533(2) -0.12511(18) 0.0380(13) Uani 1 1 d . U . . .
H73A H 0.915790 -0.079950 -0.147842 0.046 Uiso 1 1 calc R U . . .
C74A C 0.8537(3) 0.0031(2) -0.14136(17) 0.0366(12) Uani 1 1 d . U . . .
H74A H 0.848346 0.015413 -0.175448 0.044 Uiso 1 1 calc R U . . .
C75A C 0.8188(3) 0.0452(2) -0.10833(17) 0.0346(11) Uani 1 1 d . U . . .
C76A C 0.7761(3) 0.1055(2) -0.12432(17) 0.0376(12) Uani 1 1 d . U . . .
H76A H 0.769859 0.119986 -0.157982 0.045 Uiso 1 1 calc R U . . .
C77A C 0.7437(3) 0.1426(2) -0.08962(17) 0.0358(12) Uani 1 1 d . U . . .
H77A H 0.714411 0.182038 -0.099504 0.043 Uiso 1 1 calc R U . . .
C78A C 0.7554(3) 0.1202(2) -0.03948(17) 0.0334(11) Uani 1 1 d . U . . .
H78A H 0.733833 0.146815 -0.016489 0.040 Uiso 1 1 calc R U . . .
Eu1B Eu 0.30445(2) 0.47617(2) 0.31354(2) 0.01715(6) Uani 1 1 d . U . . .
Eu2B Eu 0.20766(2) 0.52825(2) 0.42908(2) 0.01651(5) Uani 1 1 d . U . . .
O1B O 0.1983(2) 0.40341(16) 0.31808(12) 0.0340(8) Uani 1 1 d . U . . .
O2B O 0.14617(18) 0.42846(15) 0.38733(11) 0.0329(8) Uani 1 1 d . U . . .
O3B O 0.19576(18) 0.54614(14) 0.34164(11) 0.0312(8) Uani 1 1 d . U . . .
O4B O 0.20433(17) 0.54934(15) 0.26051(11) 0.0338(8) Uani 1 1 d . U . . .
O5B O 0.35879(18) 0.57828(15) 0.35133(11) 0.0332(8) Uani 1 1 d . U . . .
O6B O 0.3145(2) 0.60063(16) 0.42360(12) 0.0321(8) Uani 1 1 d . U . . .
O7B O 0.31521(19) 0.45554(16) 0.40240(11) 0.0333(8) Uani 1 1 d . U . . .
O8B O 0.31277(17) 0.46763(16) 0.48352(11) 0.0347(7) Uani 1 1 d . U . . .
O9B O 0.36579(19) 0.35855(15) 0.32582(12) 0.0352(8) Uani 1 1 d D U . . .
O10B O 0.44302(19) 0.44716(16) 0.32721(12) 0.0385(8) Uani 1 1 d . U . . .
O11B O 0.15726(19) 0.65127(15) 0.41669(11) 0.0339(8) Uani 1 1 d D U . . .
O12B O 0.07642(18) 0.57212(16) 0.43563(11) 0.0346(8) Uani 1 1 d . U . . .
N1B N 0.2877(2) 0.41009(19) 0.22792(14) 0.0346(10) Uani 1 1 d . U . . .
N2B N 0.3629(2) 0.5334(2) 0.23954(13) 0.0347(8) Uani 1 1 d . U . . .
N3B N 0.1562(2) 0.45910(19) 0.49977(13) 0.0324(9) Uani 1 1 d . U . . .
N4B N 0.2179(2) 0.58821(19) 0.51657(14) 0.0318(9) Uani 1 1 d . U . . .
C1B C 0.1436(3) 0.4013(3) 0.34387(19) 0.0353(12) Uani 1 1 d . U . . .
C2B C 0.0690(3) 0.3648(2) 0.32039(17) 0.0366(12) Uani 1 1 d . U . . .
H2B H 0.028372 0.400299 0.316711 0.044 Uiso 1 1 calc R U . . .
C3B C 0.0708(3) 0.3372(2) 0.26577(17) 0.0448(13) Uani 1 1 d . U . . .
H3BA H 0.019879 0.322625 0.250235 0.067 Uiso 1 1 calc R U . . .
H3BB H 0.105726 0.298601 0.267655 0.067 Uiso 1 1 calc R U . . .
H3BC H 0.088006 0.373533 0.245799 0.067 Uiso 1 1 calc R U . . .
C4B C 0.04453(18) 0.30867(13) 0.35463(11) 0.0375(12) Uani 1 1 d G U . . .
C5B C 0.07048(17) 0.24074(15) 0.35252(11) 0.0474(13) Uani 1 1 d G U . . .
H5B H 0.106113 0.229656 0.331836 0.057 Uiso 1 1 calc R U . . .
C6B C 0.04318(19) 0.18938(12) 0.38133(12) 0.0535(14) Uani 1 1 d G U . . .
H6B H 0.060542 0.143929 0.379922 0.064 Uiso 1 1 calc R U . . .
C7B C -0.01007(19) 0.20595(14) 0.41225(11) 0.0524(14) Uani 1 1 d G U . . .
H7B H -0.028341 0.171581 0.431523 0.063 Uiso 1 1 calc R U . . .
C8B C -0.03602(17) 0.27387(17) 0.41435(11) 0.0501(14) Uani 1 1 d G U . . .
H8B H -0.071654 0.284959 0.435038 0.060 Uiso 1 1 calc R U . . .
C9B C -0.00872(18) 0.32524(12) 0.38554(12) 0.0422(13) Uani 1 1 d G U . . .
H9B H -0.026084 0.370686 0.386953 0.051 Uiso 1 1 calc R U . . .
C10B C 0.1698(3) 0.5668(2) 0.29584(17) 0.0320(11) Uani 1 1 d . U . . .
C11B C 0.0953(3) 0.6083(2) 0.28706(17) 0.0369(11) Uani 1 1 d . U . . .
H11B H 0.092687 0.634346 0.318216 0.044 Uiso 1 1 calc R U . . .
C12B C 0.0925(3) 0.6602(2) 0.24412(17) 0.0423(12) Uani 1 1 d . U . . .
H12D H 0.098408 0.636190 0.213555 0.063 Uiso 1 1 calc R U . . .
H12E H 0.133680 0.693223 0.252698 0.063 Uiso 1 1 calc R U . . .
H12F H 0.043753 0.683984 0.238908 0.063 Uiso 1 1 calc R U . . .
C13B C 0.02685(14) 0.55796(13) 0.27794(11) 0.0364(11) Uani 1 1 d G U . . .
C14B C 0.01331(15) 0.51789(15) 0.23403(10) 0.0398(11) Uani 1 1 d G U . . .
H14B H 0.046346 0.521110 0.210498 0.048 Uiso 1 1 calc R U . . .
C15B C -0.04958(17) 0.47299(14) 0.22530(9) 0.0451(12) Uani 1 1 d G U . . .
H15B H -0.058638 0.446184 0.195924 0.054 Uiso 1 1 calc R U . . .
C16B C -0.09895(14) 0.46817(14) 0.26048(11) 0.0465(12) Uani 1 1 d G U . . .
H16B H -0.141038 0.438139 0.254637 0.056 Uiso 1 1 calc R U . . .
C17B C -0.08542(16) 0.50825(15) 0.30439(10) 0.0447(12) Uani 1 1 d G U . . .
H17B H -0.118454 0.505020 0.327924 0.054 Uiso 1 1 calc R U . . .
C18B C -0.02252(17) 0.55314(13) 0.31312(9) 0.0403(11) Uani 1 1 d G U . . .
H18B H -0.013471 0.579948 0.342499 0.048 Uiso 1 1 calc R U . . .
C19B C 0.3641(3) 0.6054(2) 0.39549(18) 0.0365(12) Uani 1 1 d . U . . .
C20B C 0.4388(3) 0.6444(2) 0.41701(17) 0.0400(12) Uani 1 1 d . U . . .
H20B H 0.424565 0.683815 0.436629 0.048 Uiso 1 1 calc R U . . .
C21B C 0.4876(3) 0.5932(2) 0.45543(18) 0.0497(13) Uani 1 1 d . U . . .
H21D H 0.498577 0.551989 0.437832 0.075 Uiso 1 1 calc R U . . .
H21E H 0.458981 0.581216 0.481619 0.075 Uiso 1 1 calc R U . . .
H21F H 0.535311 0.615182 0.470381 0.075 Uiso 1 1 calc R U . . .
C22B C 0.48406(17) 0.67283(16) 0.37854(11) 0.0401(12) Uani 1 1 d G U . . .
C23B C 0.48854(18) 0.74443(15) 0.37328(12) 0.0523(14) Uani 1 1 d G U . . .
H23B H 0.460988 0.773460 0.391420 0.063 Uiso 1 1 calc R U . . .
C24B C 0.5342(2) 0.77263(12) 0.34089(13) 0.0623(16) Uani 1 1 d G U . . .
H24B H 0.537187 0.820540 0.337373 0.075 Uiso 1 1 calc R U . . .
C25B C 0.57537(18) 0.72924(18) 0.31378(11) 0.0568(15) Uani 1 1 d G U . . .
H25B H 0.605918 0.748113 0.292111 0.068 Uiso 1 1 calc R U . . .
C26B C 0.57090(18) 0.65764(17) 0.31904(11) 0.0545(14) Uani 1 1 d G U . . .
H26B H 0.598450 0.628606 0.300895 0.065 Uiso 1 1 calc R U . . .
C27B C 0.52524(19) 0.62943(12) 0.35142(12) 0.0475(13) Uani 1 1 d G U . . .
H27B H 0.522251 0.581525 0.354941 0.057 Uiso 1 1 calc R U . . .
C28B C 0.3407(3) 0.4382(3) 0.44859(19) 0.0388(12) Uani 1 1 d . U . . .
C29B C 0.3952(3) 0.3793(2) 0.46117(18) 0.0412(12) Uani 1 1 d . U . . .
H29B H 0.416677 0.368122 0.430689 0.049 Uiso 1 1 calc R U . . .
C30B C 0.4639(3) 0.4017(2) 0.50387(19) 0.0494(13) Uani 1 1 d . U . . .
H30D H 0.495494 0.362065 0.514873 0.074 Uiso 1 1 calc R U . . .
H30E H 0.443663 0.420539 0.532113 0.074 Uiso 1 1 calc R U . . .
H30F H 0.494455 0.436322 0.490763 0.074 Uiso 1 1 calc R U . . .
C31B C 0.35041(17) 0.31663(14) 0.47421(12) 0.0390(12) Uani 1 1 d G U . . .
C32B C 0.36210(17) 0.28902(16) 0.52300(10) 0.0467(13) Uani 1 1 d G U . . .
H32B H 0.400611 0.307013 0.547982 0.056 Uiso 1 1 calc R U . . .
C33B C 0.3162(2) 0.23451(16) 0.53444(10) 0.0553(15) Uani 1 1 d G U . . .
H33B H 0.324048 0.216032 0.567083 0.066 Uiso 1 1 calc R U . . .
C34B C 0.25866(19) 0.20761(14) 0.49710(14) 0.0562(15) Uani 1 1 d G U . . .
H34B H 0.227973 0.171141 0.504755 0.067 Uiso 1 1 calc R U . . .
C35B C 0.24697(17) 0.23523(16) 0.44831(12) 0.0563(16) Uani 1 1 d G U . . .
H35B H 0.208461 0.217230 0.423324 0.068 Uiso 1 1 calc R U . . .
C36B C 0.29284(19) 0.28974(16) 0.43686(9) 0.0477(14) Uani 1 1 d G U . . .
H36B H 0.285023 0.308211 0.404222 0.057 Uiso 1 1 calc R U . . .
C37B C 0.0961(3) 0.6357(2) 0.43202(17) 0.0354(12) Uani 1 1 d . U . . .
C38B C 0.0431(3) 0.6900(2) 0.44761(17) 0.0390(11) Uani 1 1 d . U . . .
H38B H 0.029306 0.675364 0.479975 0.047 Uiso 1 1 calc R U . . .
C39B C 0.0828(3) 0.7625(2) 0.45600(17) 0.0479(13) Uani 1 1 d . U . . .
H39D H 0.091951 0.780374 0.424048 0.072 Uiso 1 1 calc R U . . .
H39E H 0.131213 0.757953 0.478914 0.072 Uiso 1 1 calc R U . . .
H39F H 0.049851 0.793851 0.470197 0.072 Uiso 1 1 calc R U . . .
C40B C -0.0308(3) 0.6932(2) 0.40862(19) 0.0382(12) Uani 1 1 d . U . . .
C41B C -0.0967(3) 0.6626(2) 0.4183(2) 0.0468(13) Uani 1 1 d . U . . .
H41B H -0.096069 0.642985 0.450137 0.056 Uiso 1 1 calc R U . . .
C42B C -0.1638(3) 0.6593(3) 0.3834(2) 0.0556(14) Uani 1 1 d . U . . .
H42B H -0.207576 0.637780 0.391350 0.067 Uiso 1 1 calc R U . . .
C43B C -0.1649(3) 0.6888(3) 0.3363(2) 0.0545(15) Uani 1 1 d . U . . .
H43B H -0.209673 0.686938 0.311967 0.065 Uiso 1 1 calc R U . . .
C44B C -0.1004(3) 0.7209(2) 0.3253(2) 0.0514(14) Uani 1 1 d . U . . .
H44B H -0.101721 0.741275 0.293653 0.062 Uiso 1 1 calc R U . . .
C45B C -0.0338(3) 0.7230(2) 0.36088(19) 0.0451(13) Uani 1 1 d . U . . .
H45B H 0.009874 0.744630 0.352963 0.054 Uiso 1 1 calc R U . . .
C46B C 0.4324(3) 0.3827(3) 0.32658(19) 0.0381(12) Uani 1 1 d . U . . .
C47B C 0.5016(3) 0.3341(3) 0.3279(2) 0.0461(13) Uani 1 1 d . U . . .
H47B H 0.482160 0.290427 0.311622 0.055 Uiso 1 1 calc R U . C 1
C48B C 0.5571(3) 0.3653(2) 0.2964(2) 0.0528(14) Uani 1 1 d . U . . .
H48D H 0.603244 0.337693 0.300234 0.079 Uiso 1 1 calc R U . . .
H48E H 0.570025 0.411767 0.307726 0.079 Uiso 1 1 calc R U . . .
H48F H 0.532939 0.366091 0.261246 0.079 Uiso 1 1 calc R U . . .
C49B C 0.5378(10) 0.3173(9) 0.3844(6) 0.044(3) Uani 0.67(7) 1 d . U P D 1
C50B C 0.5156(13) 0.2610(9) 0.4095(7) 0.044(3) Uani 0.67(7) 1 d . U P D 1
H50B H 0.476055 0.232445 0.393372 0.053 Uiso 0.67(7) 1 calc R U P D 1
C51B C 0.5513(15) 0.2461(8) 0.4582(7) 0.046(4) Uani 0.67(7) 1 d . U P D 1
H51B H 0.535841 0.207077 0.474308 0.055 Uiso 0.67(7) 1 calc R U P D 1
C52B C 0.6077(10) 0.2863(11) 0.4834(6) 0.047(3) Uani 0.67(7) 1 d . U P D 1
H52B H 0.630616 0.275534 0.516544 0.056 Uiso 0.67(7) 1 calc R U P D 1
C53B C 0.6309(9) 0.3424(13) 0.4599(7) 0.046(3) Uani 0.67(7) 1 d . U P D 1
H53B H 0.669957 0.370699 0.476914 0.055 Uiso 0.67(7) 1 calc R U P D 1
C54B C 0.5962(12) 0.3582(9) 0.4101(6) 0.046(3) Uani 0.67(7) 1 d . U P D 1
H54B H 0.612801 0.396755 0.394083 0.056 Uiso 0.67(7) 1 calc R U P D 1
C49D C 0.535(2) 0.316(2) 0.3769(16) 0.058(5) Uani 0.33(7) 1 d G U P D 2
C50D C 0.499(2) 0.262(2) 0.3986(18) 0.058(5) Uani 0.33(7) 1 d G U P D 2
H50D H 0.454798 0.241429 0.380731 0.070 Uiso 0.33(7) 1 calc R U P D 2
C51D C 0.531(2) 0.2387(17) 0.4471(18) 0.058(5) Uani 0.33(7) 1 d G U P D 2
H51D H 0.506897 0.202581 0.461667 0.070 Uiso 0.33(7) 1 calc R U P D 2
C52D C 0.597(2) 0.269(2) 0.4738(17) 0.058(5) Uani 0.33(7) 1 d G U P D 2
H52D H 0.617913 0.253869 0.506279 0.070 Uiso 0.33(7) 1 calc R U P D 2
C53D C 0.6323(18) 0.323(2) 0.4521(16) 0.058(5) Uani 0.33(7) 1 d G U P D 2
H53D H 0.676832 0.344006 0.469957 0.070 Uiso 0.33(7) 1 calc R U P D 2
C54D C 0.601(2) 0.347(2) 0.4036(16) 0.058(5) Uani 0.33(7) 1 d G U P D 2
H54D H 0.624735 0.382856 0.389021 0.070 Uiso 0.33(7) 1 calc R U P D 2
C55B C 0.2508(3) 0.3495(2) 0.22046(19) 0.0444(13) Uani 1 1 d . U . . .
H55B H 0.230792 0.331020 0.247569 0.053 Uiso 1 1 calc DR U . . .
C56B C 0.2399(3) 0.3118(3) 0.17589(19) 0.0480(14) Uani 1 1 d . U . . .
H56B H 0.213375 0.269812 0.173404 0.058 Uiso 1 1 calc R U . . .
C57B C 0.2691(3) 0.3379(3) 0.13503(18) 0.0452(13) Uani 1 1 d . U . . .
H57B H 0.262463 0.313718 0.104472 0.054 Uiso 1 1 calc R U . . .
C58B C 0.3087(3) 0.4010(3) 0.14014(18) 0.0403(12) Uani 1 1 d . U . . .
C59B C 0.3174(3) 0.4350(2) 0.18772(18) 0.0361(11) Uani 1 1 d . U . . .
C60B C 0.3578(3) 0.4985(3) 0.19389(18) 0.0398(12) Uani 1 1 d . U . . .
C61B C 0.3399(3) 0.4309(3) 0.10034(18) 0.0450(13) Uani 1 1 d . U . . .
H61B H 0.333122 0.408178 0.069185 0.054 Uiso 1 1 calc R U . . .
C62B C 0.3792(3) 0.4913(3) 0.10551(18) 0.0458(14) Uani 1 1 d . U . . .
H62B H 0.398782 0.509804 0.078236 0.055 Uiso 1 1 calc R U . . .
C63B C 0.3908(2) 0.5272(3) 0.15383(16) 0.0398(10) Uani 1 1 d . U . . .
C64B C 0.4289(3) 0.5900(2) 0.16136(18) 0.0440(13) Uani 1 1 d . U . . .
H64B H 0.451228 0.609341 0.135526 0.053 Uiso 1 1 calc R U . . .
C65B C 0.4340(3) 0.6238(2) 0.2070(2) 0.0455(13) Uani 1 1 d . U . . .
H65B H 0.460268 0.665720 0.212664 0.055 Uiso 1 1 calc R U . . .
C66B C 0.3988(3) 0.5939(2) 0.24483(18) 0.0441(13) Uani 1 1 d . U . . .
H66B H 0.400876 0.617886 0.275241 0.053 Uiso 1 1 calc R U . . .
C67B C 0.1313(3) 0.3935(2) 0.49353(18) 0.0428(13) Uani 1 1 d . U . . .
H67B H 0.132532 0.372073 0.462524 0.051 Uiso 1 1 calc R U . . .
C68B C 0.1033(3) 0.3552(2) 0.53131(18) 0.0433(13) Uani 1 1 d . U . . .
H68B H 0.088317 0.309149 0.525827 0.052 Uiso 1 1 calc R U . . .
C69B C 0.0987(3) 0.3872(3) 0.57596(18) 0.0428(13) Uani 1 1 d . U . . .
H69B H 0.078796 0.363513 0.601091 0.051 Uiso 1 1 calc R U . . .
C70B C 0.1242(3) 0.4561(2) 0.58414(17) 0.0377(12) Uani 1 1 d . U . . .
C71B C 0.1536(3) 0.4897(2) 0.54539(17) 0.0335(11) Uani 1 1 d . U . . .
C72B C 0.1870(3) 0.5581(2) 0.55428(18) 0.0350(12) Uani 1 1 d . U . . .
C73B C 0.1255(3) 0.4916(3) 0.63189(18) 0.0449(14) Uani 1 1 d . U . . .
H73B H 0.105713 0.469443 0.657746 0.054 Uiso 1 1 calc R U . . .
C74B C 0.1542(3) 0.5545(3) 0.63948(19) 0.0468(14) Uani 1 1 d . U . . .
H74B H 0.153435 0.576202 0.670454 0.056 Uiso 1 1 calc R U . . .
C75B C 0.1866(3) 0.5905(2) 0.60115(18) 0.0388(12) Uani 1 1 d . U . . .
C76B C 0.2193(3) 0.6554(3) 0.60841(18) 0.0445(13) Uani 1 1 d . U . . .
H76B H 0.219274 0.678393 0.638987 0.053 Uiso 1 1 calc R U . . .
C77B C 0.2514(3) 0.6862(3) 0.57174(18) 0.0458(13) Uani 1 1 d . U . . .
H77B H 0.273554 0.730116 0.576415 0.055 Uiso 1 1 calc R U . . .
C78B C 0.2501(3) 0.6487(2) 0.52562(18) 0.0389(12) Uani 1 1 d . U . . .
H78B H 0.273593 0.668700 0.500559 0.047 Uiso 1 1 calc R U . . .
O1L O 0.6759(2) 0.74390(17) 0.16187(13) 0.0548(10) Uani 1 1 d D U . . .
H1OL H 0.665(3) 0.7798(11) 0.1740(13) 0.082 Uiso 1 1 d D U . . .
O2L O 0.7769(2) 0.74713(19) 0.21922(15) 0.0795(13) Uani 1 1 d . U . . .
C1L C 0.7387(3) 0.7186(2) 0.18435(18) 0.0379(11) Uani 1 1 d . U . . .
C2L C 0.7619(3) 0.6520(2) 0.16075(17) 0.0354(11) Uani 1 1 d . U . . .
H2L H 0.760211 0.660862 0.124468 0.042 Uiso 1 1 calc R U . . .
C3L C 0.8437(3) 0.6324(2) 0.1833(2) 0.0563(14) Uani 1 1 d . U . . .
H3LA H 0.859030 0.592793 0.165684 0.084 Uiso 1 1 calc R U . . .
H3LB H 0.846748 0.621381 0.218588 0.084 Uiso 1 1 calc R U . . .
H3LC H 0.877516 0.670672 0.179942 0.084 Uiso 1 1 calc R U . . .
C4L C 0.70386(16) 0.59589(13) 0.16526(12) 0.0306(10) Uani 1 1 d G U . . .
C5L C 0.70152(17) 0.56504(16) 0.21197(10) 0.0455(13) Uani 1 1 d G U . . .
H5L H 0.735647 0.579332 0.240747 0.055 Uiso 1 1 calc R U . . .
C6L C 0.6482(2) 0.51283(16) 0.21565(11) 0.0635(15) Uani 1 1 d G U . . .
H6L H 0.646593 0.492186 0.246903 0.076 Uiso 1 1 calc R U . . .
C7L C 0.59715(17) 0.49146(15) 0.17264(15) 0.0706(17) Uani 1 1 d G U . . .
H7L H 0.561453 0.456529 0.175103 0.085 Uiso 1 1 calc R U . . .
C8L C 0.59950(17) 0.52231(18) 0.12593(12) 0.0679(15) Uani 1 1 d G U . . .
H8L H 0.565366 0.508017 0.097147 0.081 Uiso 1 1 calc R U . . .
C9L C 0.65285(19) 0.57452(17) 0.12224(9) 0.0539(14) Uani 1 1 d G U . . .
H9L H 0.654419 0.595164 0.090991 0.065 Uiso 1 1 calc R U . . .
O3L O 0.7832(2) 0.26433(18) 0.05675(14) 0.0492(10) Uani 1 1 d D U . . .
H3OL H 0.810(2) 0.2311(12) 0.0558(18) 0.074 Uiso 1 1 d D U . . .
O4L O 0.8905(2) 0.31314(16) 0.09839(13) 0.0483(9) Uani 1 1 d . U . . .
C10L C 0.8236(3) 0.3182(3) 0.0775(2) 0.0454(13) Uani 1 1 d . U . . .
C11L C 0.7765(3) 0.3822(3) 0.0746(2) 0.0553(15) Uani 1 1 d . U . . .
H11L H 0.722679 0.369200 0.075181 0.066 Uiso 1 1 calc R U . . .
C12L C 0.8036(3) 0.4316(3) 0.1187(2) 0.0721(18) Uani 1 1 d . U . . .
H12G H 0.857927 0.440396 0.121151 0.108 Uiso 1 1 calc R U . . .
H12H H 0.794287 0.411021 0.149798 0.108 Uiso 1 1 calc R U . . .
H12I H 0.775669 0.474567 0.113045 0.108 Uiso 1 1 calc R U . . .
C13L C 0.7796(3) 0.4199(2) 0.02459(14) 0.0707(18) Uani 1 1 d G U . . .
C14L C 0.8422(2) 0.4121(2) -0.00035(19) 0.094(2) Uani 1 1 d G U . . .
H14L H 0.882665 0.382600 0.012854 0.113 Uiso 1 1 calc R U . . .
C15L C 0.8442(3) 0.4484(3) -0.04502(19) 0.122(3) Uani 1 1 d G U . . .
H15L H 0.886071 0.443220 -0.061706 0.147 Uiso 1 1 calc R U . . .
C16L C 0.7837(4) 0.4925(2) -0.06476(15) 0.116(3) Uani 1 1 d G U . . .
H16L H 0.785065 0.516807 -0.094645 0.139 Uiso 1 1 calc R U . . .
C17L C 0.7211(3) 0.5003(2) -0.0398(2) 0.133(3) Uani 1 1 d G U . . .
H17L H 0.680653 0.529776 -0.053024 0.160 Uiso 1 1 calc R U . . .
C18L C 0.7191(3) 0.4640(2) 0.0049(2) 0.108(2) Uani 1 1 d G U . . .
H18L H 0.677246 0.469156 0.021535 0.129 Uiso 1 1 calc R U . . .
O5L O 0.3617(4) 0.2227(3) 0.3259(3) 0.0849(17) Uani 0.8 1 d D U P E 1
H5OL H 0.361(5) 0.2642(3) 0.326(4) 0.127 Uiso 0.8 1 d D U P F 1
O6L O 0.2360(3) 0.2245(3) 0.3077(2) 0.0725(16) Uani 0.8 1 d . U P E 1
C19L C 0.2953(6) 0.1932(5) 0.3183(3) 0.071(2) Uani 0.8 1 d . U P E 1
C20L C 0.3058(5) 0.1092(4) 0.3190(3) 0.0658(19) Uani 0.8 1 d . U P E 1
H20L H 0.356326 0.101547 0.340458 0.079 Uiso 0.8 1 calc R U P E 1
C21L C 0.2517(6) 0.0847(4) 0.3489(4) 0.112(3) Uani 0.8 1 d . U P E 1
H21G H 0.207853 0.064891 0.327072 0.167 Uiso 0.8 1 calc R U P E 1
H21H H 0.235082 0.122707 0.367545 0.167 Uiso 0.8 1 calc R U P E 1
H21I H 0.275858 0.050017 0.372208 0.167 Uiso 0.8 1 calc R U P E 1
C22L C 0.3191(3) 0.0944(3) 0.26721(16) 0.0820(10) Uani 0.8 1 d G U P E 1
C23L C 0.3901(3) 0.0658(3) 0.26228(17) 0.0820(10) Uani 0.8 1 d G U P E 1
H23L H 0.427118 0.057274 0.291023 0.098 Uiso 0.8 1 calc R U P E 1
C24L C 0.4057(2) 0.0499(2) 0.2144(2) 0.0820(10) Uani 0.8 1 d G U P E 1
H24L H 0.453136 0.030764 0.211071 0.098 Uiso 0.8 1 calc R U P E 1
C25L C 0.3503(3) 0.0626(2) 0.17140(16) 0.0820(10) Uani 0.8 1 d G U P E 1
H25L H 0.360728 0.051994 0.139355 0.098 Uiso 0.8 1 calc R U P E 1
C26L C 0.2793(3) 0.0912(3) 0.17634(17) 0.0820(10) Uani 0.8 1 d G U P E 1
H26L H 0.242302 0.099734 0.147591 0.098 Uiso 0.8 1 calc R U P E 1
C27L C 0.2638(2) 0.1071(3) 0.2242(2) 0.0820(10) Uani 0.8 1 d G U P E 1
H27L H 0.216282 0.126244 0.227543 0.098 Uiso 0.8 1 calc R U P E 1
O5K O 0.2906(11) 0.2414(8) 0.3041(6) 0.029(4) Uani 0.2 1 d D U P G 2
H5OK H 0.294(7) 0.2797(12) 0.3159(19) 0.044 Uiso 0.2 1 d D U P H 2
O6K O 0.3696(11) 0.2147(8) 0.2460(7) 0.063(5) Uani 0.2 1 d . U P G 2
C19K C 0.3207(16) 0.1965(11) 0.2716(9) 0.052(6) Uani 0.2 1 d D U P G 2
C20K C 0.2901(18) 0.1213(12) 0.2736(11) 0.0658(19) Uani 0.2 1 d D U P G 2
H20K H 0.234267 0.123245 0.273132 0.079 Uiso 0.2 1 calc R U P G 2
C21K C 0.304(2) 0.0775(16) 0.2315(13) 0.112(3) Uani 0.2 1 d D U P G 2
H21J H 0.283820 0.031863 0.235093 0.167 Uiso 0.2 1 calc R U P G 2
H21K H 0.279126 0.097387 0.199903 0.167 Uiso 0.2 1 calc R U P G 2
H21L H 0.358798 0.074451 0.231703 0.167 Uiso 0.2 1 calc R U P G 2
C22K C 0.3293(13) 0.0873(12) 0.3244(7) 0.0820(10) Uani 0.2 1 d G U P G 2
C23K C 0.3082(11) 0.1010(11) 0.3711(9) 0.0820(10) Uani 0.2 1 d G U P G 2
H23K H 0.265684 0.129125 0.372897 0.098 Uiso 0.2 1 calc R U P G 2
C24K C 0.3506(12) 0.0728(11) 0.4152(7) 0.0820(10) Uani 0.2 1 d G U P G 2
H24K H 0.336539 0.082051 0.446513 0.098 Uiso 0.2 1 calc R U P G 2
C25K C 0.4142(11) 0.0309(10) 0.4126(6) 0.0820(10) Uani 0.2 1 d G U P G 2
H25K H 0.442592 0.011989 0.442115 0.098 Uiso 0.2 1 calc R U P G 2
C26K C 0.4353(9) 0.0171(9) 0.3659(8) 0.0820(10) Uani 0.2 1 d G U P G 2
H26K H 0.477791 -0.011000 0.364101 0.098 Uiso 0.2 1 calc R U P G 2
C27K C 0.3928(12) 0.0453(11) 0.3218(6) 0.0820(10) Uani 0.2 1 d G U P G 2
H27K H 0.406937 0.036072 0.290484 0.098 Uiso 0.2 1 calc R U P G 2
O7L O 0.1876(2) 0.75622(17) 0.35671(13) 0.0550(9) Uani 1 1 d D U . . .
H7OL H 0.180(3) 0.7246(16) 0.3747(14) 0.082 Uiso 1 1 d D U . . .
O8L O 0.3007(3) 0.7777(2) 0.40364(18) 0.0905(15) Uani 1 1 d . U . . .
C28L C 0.2515(3) 0.7913(2) 0.3687(2) 0.0483(13) Uani 1 1 d . U . . .
C29L C 0.2533(3) 0.8517(2) 0.33179(18) 0.0444(13) Uani 1 1 d . U . . .
H29L H 0.210028 0.882558 0.334999 0.053 Uiso 1 1 calc R U . . .
C30L C 0.3295(3) 0.8934(3) 0.3494(2) 0.0739(18) Uani 1 1 d . U . . .
H30G H 0.331243 0.932293 0.327168 0.111 Uiso 1 1 calc R U . . .
H30H H 0.373192 0.863804 0.348367 0.111 Uiso 1 1 calc R U . . .
H30I H 0.331012 0.909731 0.383481 0.111 Uiso 1 1 calc R U . . .
C31L C 0.2441(3) 0.8303(2) 0.27698(18) 0.0356(11) Uani 1 1 d . U . . .
C32L C 0.2835(3) 0.7746(2) 0.26104(18) 0.0399(12) Uani 1 1 d . U . . .
H32L H 0.315329 0.747760 0.285019 0.048 Uiso 1 1 calc R U . . .
C33L C 0.2763(3) 0.7583(2) 0.21033(19) 0.0489(13) Uani 1 1 d . U . . .
H33L H 0.303345 0.720786 0.200226 0.059 Uiso 1 1 calc R U . . .
C34L C 0.2298(3) 0.7970(3) 0.1751(2) 0.0537(14) Uani 1 1 d . U . . .
H34L H 0.225428 0.786129 0.140797 0.064 Uiso 1 1 calc R U . . .
C35L C 0.1899(3) 0.8511(3) 0.1894(2) 0.0590(15) Uani 1 1 d . U . . .
H35L H 0.157478 0.876831 0.164955 0.071 Uiso 1 1 calc R U . . .
C36L C 0.1971(3) 0.8686(3) 0.2405(2) 0.0540(14) Uani 1 1 d . U . . .
H36L H 0.170045 0.906408 0.250022 0.065 Uiso 1 1 calc R U . . .
O9L O 0.96813(17) 0.48907(14) 0.45535(12) 0.0378(7) Uani 1 1 d D U . . .
H9OL H 0.9997(16) 0.5183(14) 0.4530(15) 0.057 Uiso 1 1 d D U . . .
O10L O 0.94846(18) 0.54725(15) 0.52398(12) 0.0486(9) Uani 1 1 d . U . . .
C37L C 0.9326(2) 0.5006(2) 0.49411(17) 0.0345(10) Uani 1 1 d . U . . .
C38L C 0.8679(3) 0.4475(2) 0.49499(17) 0.0404(11) Uani 1 1 d . U . . .
H38L H 0.886788 0.402005 0.486266 0.048 Uiso 1 1 calc R U . . .
C39L C 0.8456(3) 0.4420(3) 0.54711(18) 0.0590(15) Uani 1 1 d . U . . .
H39G H 0.832449 0.487199 0.558123 0.088 Uiso 1 1 calc R U . . .
H39H H 0.888317 0.423682 0.570789 0.088 Uiso 1 1 calc R U . . .
H39I H 0.801853 0.411650 0.545423 0.088 Uiso 1 1 calc R U . . .
C40L C 0.8015(2) 0.4688(2) 0.45260(16) 0.0335(10) Uani 1 1 d . U . . .
C41L C 0.8007(3) 0.4432(2) 0.40450(17) 0.0390(11) Uani 1 1 d . U . . .
H41L H 0.838508 0.411933 0.398758 0.047 Uiso 1 1 calc R U . . .
C42L C 0.7435(3) 0.4639(2) 0.36425(18) 0.0435(12) Uani 1 1 d . U . . .
H42L H 0.742697 0.445571 0.331975 0.052 Uiso 1 1 calc R U . . .
C43L C 0.6889(3) 0.5106(2) 0.37204(19) 0.0475(13) Uani 1 1 d . U . . .
H43L H 0.650723 0.524701 0.345303 0.057 Uiso 1 1 calc R U . . .
C44L C 0.6909(3) 0.5368(2) 0.42019(19) 0.0501(13) Uani 1 1 d . U . . .
H44L H 0.653865 0.568957 0.425894 0.060 Uiso 1 1 calc R U . . .
C45L C 0.7464(3) 0.5161(2) 0.45960(17) 0.0440(12) Uani 1 1 d . U . . .
H45L H 0.746716 0.534432 0.491811 0.053 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1A O1A 2.341(3) . ?
Eu1A O7A 2.349(3) . ?
Eu1A O5A 2.364(3) . ?
Eu1A O4A 2.394(3) . ?
Eu1A O10A 2.469(3) . ?
Eu1A O9A 2.488(3) . ?
Eu1A N2A 2.576(4) . ?
Eu1A N1A 2.587(4) . ?
Eu1A O3A 2.805(3) . ?
Eu1A C37A 2.845(5) . ?
Eu1A C10A 2.965(5) . ?
Eu1A Eu2A 3.9653(3) . ?
Eu2A O6A 2.342(3) . ?
Eu2A O3A 2.370(3) . ?
Eu2A O2A 2.395(3) . ?
Eu2A O12A 2.463(3) . ?
Eu2A O8A 2.465(3) . ?
Eu2A O11A 2.477(3) . ?
Eu2A N4A 2.588(4) . ?
Eu2A O7A 2.596(3) . ?
Eu2A N3A 2.623(3) . ?
Eu2A C46A 2.815(5) . ?
Eu2A C28A 2.904(5) . ?
O1A C1A 1.249(5) . ?
O2A C1A 1.264(5) . ?
O3A C10A 1.283(5) . ?
O4A C10A 1.248(5) . ?
O5A C19A 1.246(5) . ?
O6A C19A 1.280(6) . ?
O7A C28A 1.255(5) . ?
O8A C28A 1.279(5) . ?
O9A C37A 1.268(6) . ?
O10A C37A 1.250(5) . ?
O11A C46A 1.268(6) . ?
O12A C46A 1.263(6) . ?
N1A C55A 1.313(5) . ?
N1A C59A 1.341(6) . ?
N2A C66A 1.305(5) . ?
N2A C60A 1.377(5) . ?
N3A C67A 1.327(6) . ?
N3A C71A 1.343(5) . ?
N4A C78A 1.315(5) . ?
N4A C72A 1.393(5) . ?
C1A C2A 1.521(7) . ?
C2A C4A 1.381(7) . ?
C2A C3A 1.503(6) . ?
C2A C4C 1.724(14) . ?
C4A C9A 1.382(8) . ?
C4A C5A 1.402(8) . ?
C5A C6A 1.364(8) . ?
C6A C7A 1.340(9) . ?
C7A C8A 1.373(8) . ?
C8A C9A 1.379(8) . ?
C4C C5C 1.3900 . ?
C4C C9C 1.3900 . ?
C5C C6C 1.3900 . ?
C6C C7C 1.3900 . ?
C7C C8C 1.3900 . ?
C8C C9C 1.3900 . ?
C10A C11A 1.511(6) . ?
C11A C13A 1.527(5) . ?
C11A C12A 1.538(6) . ?
C13A C14A 1.3900 . ?
C13A C18A 1.3900 . ?
C14A C15A 1.3900 . ?
C15A C16A 1.3900 . ?
C16A C17A 1.3900 . ?
C17A C18A 1.3900 . ?
C19A C20A 1.516(7) . ?
C20A C22A 1.484(5) . ?
C20A C21A 1.529(6) . ?
C22A C23A 1.3900 . ?
C22A C27A 1.3900 . ?
C23A C24A 1.3900 . ?
C24A C25A 1.3900 . ?
C25A C26A 1.3900 . ?
C26A C27A 1.3900 . ?
C28A C29A 1.515(6) . ?
C29A C31A 1.508(6) . ?
C29A C30A 1.551(6) . ?
C31A C36A 1.369(6) . ?
C31A C32A 1.387(6) . ?
C32A C33A 1.369(6) . ?
C33A C34A 1.377(6) . ?
C34A C35A 1.370(6) . ?
C35A C36A 1.371(6) . ?
C37A C38A 1.515(6) . ?
C38A C39A 1.519(6) . ?
C38A C40A 1.553(7) . ?
C40A C41A 1.369(6) . ?
C40A C45A 1.382(6) . ?
C41A C42A 1.377(6) . ?
C42A C43A 1.365(7) . ?
C43A C44A 1.366(6) . ?
C44A C45A 1.383(6) . ?
C46A C47A 1.529(7) . ?
C47A C48A 1.543(6) . ?
C47A C49A 1.552(6) . ?
C49A C54A 1.350(6) . ?
C49A C50A 1.368(6) . ?
C50A C51A 1.399(6) . ?
C51A C52A 1.374(7) . ?
C52A C53A 1.364(7) . ?
C53A C54A 1.370(6) . ?
C55A C56A 1.388(6) . ?
C56A C57A 1.374(6) . ?
C57A C58A 1.396(6) . ?
C58A C59A 1.396(6) . ?
C58A C61A 1.402(6) . ?
C59A C60A 1.471(6) . ?
C60A C63A 1.387(6) . ?
C61A C62A 1.355(7) . ?
C62A C63A 1.431(6) . ?
C63A C64A 1.382(6) . ?
C64A C65A 1.366(6) . ?
C65A C66A 1.382(6) . ?
C67A C68A 1.389(6) . ?
C68A C69A 1.378(6) . ?
C69A C70A 1.418(6) . ?
C70A C71A 1.402(6) . ?
C70A C73A 1.409(6) . ?
C71A C72A 1.433(6) . ?
C72A C75A 1.418(6) . ?
C73A C74A 1.326(6) . ?
C74A C75A 1.415(6) . ?
C75A C76A 1.408(6) . ?
C76A C77A 1.371(6) . ?
C77A C78A 1.388(6) . ?
Eu1B O5B 2.337(3) . ?
Eu1B O1B 2.352(3) . ?
Eu1B O7B 2.383(3) . ?
Eu1B O10B 2.461(3) . ?
Eu1B O4B 2.492(3) . ?
Eu1B O9B 2.505(3) . ?
Eu1B O3B 2.556(3) . ?
Eu1B N1B 2.590(4) . ?
Eu1B N2B 2.626(3) . ?
Eu1B C46B 2.854(5) . ?
Eu1B C10B 2.911(5) . ?
Eu1B Eu2B 3.9098(3) . ?
Eu2B O3B 2.336(3) . ?
Eu2B O6B 2.363(3) . ?
Eu2B O2B 2.384(3) . ?
Eu2B O8B 2.438(3) . ?
Eu2B O12B 2.490(3) . ?
Eu2B O11B 2.531(3) . ?
Eu2B O7B 2.552(3) . ?
Eu2B N4B 2.586(4) . ?
Eu2B N3B 2.601(3) . ?
Eu2B C37B 2.862(5) . ?
Eu2B C28B 2.883(5) . ?
O1B C1B 1.278(6) . ?
O2B C1B 1.268(5) . ?
O3B C10B 1.292(5) . ?
O4B C10B 1.255(5) . ?
O5B C19B 1.279(5) . ?
O6B C19B 1.250(6) . ?
O7B C28B 1.281(5) . ?
O8B C28B 1.263(5) . ?
O9B C46B 1.256(6) . ?
O10B C46B 1.256(5) . ?
O11B C37B 1.252(6) . ?
O12B C37B 1.282(5) . ?
N1B C55B 1.333(6) . ?
N1B C59B 1.362(6) . ?
N2B C66B 1.322(6) . ?
N2B C60B 1.382(6) . ?
N3B C67B 1.337(5) . ?
N3B C71B 1.362(5) . ?
N4B C78B 1.299(5) . ?
N4B C72B 1.357(6) . ?
C1B C2B 1.522(7) . ?
C2B C4B 1.526(5) . ?
C2B C3B 1.560(6) . ?
C4B C5B 1.3900 . ?
C4B C9B 1.3900 . ?
C5B C6B 1.3900 . ?
C6B C7B 1.3900 . ?
C7B C8B 1.3900 . ?
C8B C9B 1.3900 . ?
C10B C11B 1.516(6) . ?
C11B C12B 1.516(6) . ?
C11B C13B 1.531(5) . ?
C13B C14B 1.3900 . ?
C13B C18B 1.3900 . ?
C14B C15B 1.3900 . ?
C15B C16B 1.3900 . ?
C16B C17B 1.3900 . ?
C17B C18B 1.3900 . ?
C19B C20B 1.533(7) . ?
C20B C22B 1.509(5) . ?
C20B C21B 1.566(6) . ?
C22B C23B 1.3900 . ?
C22B C27B 1.3900 . ?
C23B C24B 1.3900 . ?
C24B C25B 1.3900 . ?
C25B C26B 1.3900 . ?
C26B C27B 1.3900 . ?
C28B C29B 1.484(7) . ?
C29B C31B 1.515(5) . ?
C29B C30B 1.568(6) . ?
C31B C32B 1.3900 . ?
C31B C36B 1.3900 . ?
C32B C33B 1.3900 . ?
C33B C34B 1.3900 . ?
C34B C35B 1.3900 . ?
C35B C36B 1.3900 . ?
C37B C38B 1.507(6) . ?
C38B C40B 1.515(6) . ?
C38B C39B 1.560(6) . ?
C40B C41B 1.365(6) . ?
C40B C45B 1.392(6) . ?
C41B C42B 1.369(7) . ?
C42B C43B 1.379(7) . ?
C43B C44B 1.366(7) . ?
C44B C45B 1.372(6) . ?
C46B C47B 1.530(7) . ?
C47B C49D 1.38(4) . ?
C47B C48B 1.519(6) . ?
C47B C49B 1.567(15) . ?
C49B C50B 1.367(10) . ?
C49B C54B 1.378(10) . ?
C50B C51B 1.373(10) . ?
C51B C52B 1.341(11) . ?
C52B C53B 1.349(10) . ?
C53B C54B 1.396(10) . ?
C49D C50D 1.3900 . ?
C49D C54D 1.3900 . ?
C50D C51D 1.3900 . ?
C51D C52D 1.3900 . ?
C52D C53D 1.3900 . ?
C53D C54D 1.3900 . ?
C55B C56B 1.379(6) . ?
C56B C57B 1.381(6) . ?
C57B C58B 1.394(6) . ?
C58B C61B 1.403(6) . ?
C58B C59B 1.415(6) . ?
C59B C60B 1.409(6) . ?
C60B C63B 1.417(6) . ?
C61B C62B 1.348(6) . ?
C62B C63B 1.448(6) . ?
C63B C64B 1.379(6) . ?
C64B C65B 1.372(6) . ?
C65B C66B 1.397(6) . ?
C67B C68B 1.407(6) . ?
C68B C69B 1.358(6) . ?
C69B C70B 1.406(6) . ?
C70B C71B 1.395(6) . ?
C70B C73B 1.444(6) . ?
C71B C72B 1.446(6) . ?
C72B C75B 1.401(6) . ?
C73B C74B 1.314(6) . ?
C74B C75B 1.436(7) . ?
C75B C76B 1.375(6) . ?
C76B C77B 1.352(7) . ?
C77B C78B 1.426(6) . ?
O1L C1L 1.259(6) . ?
O2L C1L 1.184(5) . ?
C1L C2L 1.516(6) . ?
C2L C3L 1.504(6) . ?
C2L C4L 1.506(5) . ?
C4L C5L 1.3900 . ?
C4L C9L 1.3900 . ?
C5L C6L 1.3900 . ?
C6L C7L 1.3900 . ?
C7L C8L 1.3900 . ?
C8L C9L 1.3900 . ?
O3L C10L 1.323(6) . ?
O4L C10L 1.213(6) . ?
C10L C11L 1.479(7) . ?
C11L C12L 1.526(6) . ?
C11L C13L 1.531(6) . ?
C13L C14L 1.3900 . ?
C13L C18L 1.3900 . ?
C14L C15L 1.3900 . ?
C15L C16L 1.3900 . ?
C16L C17L 1.3900 . ?
C17L C18L 1.3900 . ?
O5L C19L 1.281(11) . ?
O6L C19L 1.192(10) . ?
C19L C20L 1.629(11) . ?
C20L C21L 1.426(10) . ?
C20L C22L 1.471(8) . ?
C22L C23L 1.3900 . ?
C22L C27L 1.3900 . ?
C23L C24L 1.3900 . ?
C24L C25L 1.3900 . ?
C25L C26L 1.3900 . ?
C26L C27L 1.3900 . ?
O5K C19K 1.39(3) . ?
O6K C19K 1.24(3) . ?
C19K C20K 1.549(13) . ?
C20K C21K 1.463(14) . ?
C20K C22K 1.55(3) . ?
C22K C23K 1.3900 . ?
C22K C27K 1.3900 . ?
C23K C24K 1.3900 . ?
C24K C25K 1.3900 . ?
C25K C26K 1.3900 . ?
C26K C27K 1.3900 . ?
O7L C28L 1.301(6) . ?
O8L C28L 1.186(6) . ?
C28L C29L 1.529(6) . ?
C29L C31L 1.503(6) . ?
C29L C30L 1.561(7) . ?
C31L C36L 1.376(6) . ?
C31L C32L 1.384(6) . ?
C32L C33L 1.376(6) . ?
C33L C34L 1.357(6) . ?
C34L C35L 1.348(6) . ?
C35L C36L 1.392(7) . ?
O9L C37L 1.319(5) . ?
O10L C37L 1.202(5) . ?
C37L C38L 1.533(6) . ?
C38L C39L 1.516(6) . ?
C38L C40L 1.532(6) . ?
C40L C45L 1.366(6) . ?
C40L C41L 1.375(6) . ?
C41L C42L 1.395(6) . ?
C42L C43L 1.358(6) . ?
C43L C44L 1.377(6) . ?
C44L C45L 1.363(6) . ?

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
O1A Eu1A O7A 75.91(11) . . ?
O1A Eu1A O5A 135.37(11) . . ?
O7A Eu1A O5A 73.25(10) . . ?
O1A Eu1A O4A 77.96(11) . . ?
O7A Eu1A O4A 123.76(11) . . ?
O5A Eu1A O4A 93.28(11) . . ?
O1A Eu1A O10A 130.16(10) . . ?
O7A Eu1A O10A 92.96(10) . . ?
O5A Eu1A O10A 83.13(11) . . ?
O4A Eu1A O10A 140.47(10) . . ?
O1A Eu1A O9A 78.00(11) . . ?
O7A Eu1A O9A 78.70(10) . . ?
O5A Eu1A O9A 125.19(11) . . ?
O4A Eu1A O9A 141.01(10) . . ?
O10A Eu1A O9A 52.16(10) . . ?
O1A Eu1A N2A 135.38(11) . . ?
O7A Eu1A N2A 147.62(11) . . ?
O5A Eu1A N2A 76.16(11) . . ?
O4A Eu1A N2A 68.01(11) . . ?
O10A Eu1A N2A 72.95(11) . . ?
O9A Eu1A N2A 111.56(11) . . ?
O1A Eu1A N1A 81.35(11) . . ?
O7A Eu1A N1A 144.25(11) . . ?
O5A Eu1A N1A 139.59(11) . . ?
O4A Eu1A N1A 76.62(11) . . ?
O10A Eu1A N1A 80.98(11) . . ?
O9A Eu1A N1A 69.76(11) . . ?
N2A Eu1A N1A 63.71(12) . . ?
O1A Eu1A O3A 70.35(10) . . ?
O7A Eu1A O3A 74.97(10) . . ?
O5A Eu1A O3A 71.02(10) . . ?
O4A Eu1A O3A 49.42(9) . . ?
O10A Eu1A O3A 153.62(10) . . ?
O9A Eu1A O3A 142.72(10) . . ?
N2A Eu1A O3A 104.79(10) . . ?
N1A Eu1A O3A 122.37(10) . . ?
O1A Eu1A C37A 104.25(14) . . ?
O7A Eu1A C37A 88.12(12) . . ?
O5A Eu1A C37A 106.14(13) . . ?
O4A Eu1A C37A 146.76(12) . . ?
O10A Eu1A C37A 26.01(12) . . ?
O9A Eu1A C37A 26.43(12) . . ?
N2A Eu1A C37A 90.37(13) . . ?
N1A Eu1A C37A 71.08(13) . . ?
O3A Eu1A C37A 163.01(11) . . ?
O1A Eu1A C10A 74.60(12) . . ?
O7A Eu1A C10A 100.41(12) . . ?
O5A Eu1A C10A 80.12(12) . . ?
O4A Eu1A C10A 24.06(11) . . ?
O10A Eu1A C10A 154.49(12) . . ?
O9A Eu1A C10A 151.88(12) . . ?
N2A Eu1A C10A 84.41(12) . . ?
N1A Eu1A C10A 99.67(13) . . ?
O3A Eu1A C10A 25.51(10) . . ?
C37A Eu1A C10A 170.69(14) . . ?
O1A Eu1A Eu2A 68.78(7) . . ?
O7A Eu1A Eu2A 38.87(8) . . ?
O5A Eu1A Eu2A 66.91(7) . . ?
O4A Eu1A Eu2A 85.24(7) . . ?
O10A Eu1A Eu2A 127.69(7) . . ?
O9A Eu1A Eu2A 113.56(7) . . ?
N2A Eu1A Eu2A 132.70(8) . . ?
N1A Eu1A Eu2A 147.74(9) . . ?
O3A Eu1A Eu2A 36.11(6) . . ?
C37A Eu1A Eu2A 126.98(10) . . ?
C10A Eu1A Eu2A 61.58(9) . . ?
O6A Eu2A O3A 79.12(11) . . ?
O6A Eu2A O2A 137.45(11) . . ?
O3A Eu2A O2A 74.60(10) . . ?
O6A Eu2A O12A 127.81(11) . . ?
O3A Eu2A O12A 86.57(10) . . ?
O2A Eu2A O12A 83.53(10) . . ?
O6A Eu2A O8A 82.30(11) . . ?
O3A Eu2A O8A 129.92(10) . . ?
O2A Eu2A O8A 89.52(10) . . ?
O12A Eu2A O8A 139.37(10) . . ?
O6A Eu2A O11A 74.87(11) . . ?
O3A Eu2A O11A 79.92(10) . . ?
O2A Eu2A O11A 130.73(10) . . ?
O12A Eu2A O11A 53.18(10) . . ?
O8A Eu2A O11A 137.95(10) . . ?
O6A Eu2A N4A 78.15(12) . . ?
O3A Eu2A N4A 144.13(12) . . ?
O2A Eu2A N4A 138.88(11) . . ?
O12A Eu2A N4A 85.85(11) . . ?
O8A Eu2A N4A 73.51(11) . . ?
O11A Eu2A N4A 67.58(10) . . ?
O6A Eu2A O7A 70.87(10) . . ?
O3A Eu2A O7A 78.83(10) . . ?
O2A Eu2A O7A 71.62(10) . . ?
O12A Eu2A O7A 153.71(10) . . ?
O8A Eu2A O7A 51.13(9) . . ?
O11A Eu2A O7A 142.38(10) . . ?
N4A Eu2A O7A 118.53(10) . . ?
O6A Eu2A N3A 136.15(11) . . ?
O3A Eu2A N3A 144.72(11) . . ?
O2A Eu2A N3A 76.02(10) . . ?
O12A Eu2A N3A 71.05(11) . . ?
O8A Eu2A N3A 68.42(11) . . ?
O11A Eu2A N3A 105.61(10) . . ?
N4A Eu2A N3A 62.96(11) . . ?
O7A Eu2A N3A 109.70(10) . . ?
O6A Eu2A C46A 101.64(15) . . ?
O3A Eu2A C46A 84.91(12) . . ?
O2A Eu2A C46A 108.59(14) . . ?
O12A Eu2A C46A 26.63(13) . . ?
O8A Eu2A C46A 144.62(12) . . ?
O11A Eu2A C46A 26.77(13) . . ?
N4A Eu2A C46A 73.02(13) . . ?
O7A Eu2A C46A 163.08(12) . . ?
N3A Eu2A C46A 86.32(13) . . ?
O6A Eu2A C28A 78.39(12) . . ?
O3A Eu2A C28A 104.30(12) . . ?
O2A Eu2A C28A 76.48(12) . . ?
O12A Eu2A C28A 153.54(12) . . ?
O8A Eu2A C28A 25.95(11) . . ?
O11A Eu2A C28A 151.62(12) . . ?
N4A Eu2A C28A 97.86(12) . . ?
O7A Eu2A C28A 25.59(11) . . ?
N3A Eu2A C28A 87.24(12) . . ?
C46A Eu2A C28A 170.54(13) . . ?
O6A Eu2A Eu1A 69.66(8) . . ?
O3A Eu2A Eu1A 44.22(8) . . ?
O2A Eu2A Eu1A 68.12(7) . . ?
O12A Eu2A Eu1A 127.22(7) . . ?
O8A Eu2A Eu1A 85.71(7) . . ?
O11A Eu2A Eu1A 117.31(7) . . ?
N4A Eu2A Eu1A 143.69(9) . . ?
O7A Eu2A Eu1A 34.60(6) . . ?
N3A Eu2A Eu1A 135.67(8) . . ?
C46A Eu2A Eu1A 128.93(10) . . ?
C28A Eu2A Eu1A 60.13(10) . . ?
C1A O1A Eu1A 139.0(3) . . ?
C1A O2A Eu2A 136.1(3) . . ?
C10A O3A Eu2A 174.5(3) . . ?
C10A O3A Eu1A 84.2(3) . . ?
Eu2A O3A Eu1A 99.67(11) . . ?
C10A O4A Eu1A 104.5(3) . . ?
C19A O5A Eu1A 138.2(3) . . ?
C19A O6A Eu2A 135.8(3) . . ?
C28A O7A Eu1A 161.7(3) . . ?
C28A O7A Eu2A 91.1(3) . . ?
Eu1A O7A Eu2A 106.53(11) . . ?
C28A O8A Eu2A 96.6(3) . . ?
C37A O9A Eu1A 92.7(3) . . ?
C37A O10A Eu1A 94.0(3) . . ?
C46A O11A Eu2A 91.6(3) . . ?
C46A O12A Eu2A 92.4(3) . . ?
C55A N1A C59A 117.0(4) . . ?
C55A N1A Eu1A 121.8(3) . . ?
C59A N1A Eu1A 121.1(3) . . ?
C66A N2A C60A 115.3(4) . . ?
C66A N2A Eu1A 124.3(3) . . ?
C60A N2A Eu1A 120.2(3) . . ?
C67A N3A C71A 115.8(4) . . ?
C67A N3A Eu2A 123.6(3) . . ?
C71A N3A Eu2A 120.6(3) . . ?
C78A N4A C72A 116.8(4) . . ?
C78A N4A Eu2A 122.9(3) . . ?
C72A N4A Eu2A 120.2(3) . . ?
O1A C1A O2A 125.4(5) . . ?
O1A C1A C2A 116.2(4) . . ?
O2A C1A C2A 118.3(4) . . ?
C4A C2A C3A 112.6(5) . . ?
C4A C2A C1A 112.6(5) . . ?
C3A C2A C1A 115.0(4) . . ?
C3A C2A C4C 103.6(8) . . ?
C1A C2A C4C 102.8(7) . . ?
C2A C4A C9A 120.6(6) . . ?
C2A C4A C5A 123.3(6) . . ?
C9A C4A C5A 116.1(6) . . ?
C6A C5A C4A 121.7(6) . . ?
C7A C6A C5A 121.4(6) . . ?
C6A C7A C8A 118.7(7) . . ?
C7A C8A C9A 121.0(6) . . ?
C8A C9A C4A 121.1(6) . . ?
C5C C4C C9C 120.0 . . ?
C5C C4C C2A 123.0(12) . . ?
C9C C4C C2A 117.0(12) . . ?
C4C C5C C6C 120.0 . . ?
C5C C6C C7C 120.0 . . ?
C8C C7C C6C 120.0 . . ?
C9C C8C C7C 120.0 . . ?
C8C C9C C4C 120.0 . . ?
O4A C10A O3A 121.2(5) . . ?
O4A C10A C11A 116.1(4) . . ?
O3A C10A C11A 122.7(4) . . ?
O4A C10A Eu1A 51.4(2) . . ?
O3A C10A Eu1A 70.3(3) . . ?
C11A C10A Eu1A 163.9(3) . . ?
C10A C11A C13A 108.5(4) . . ?
C10A C11A C12A 115.1(4) . . ?
C13A C11A C12A 110.2(3) . . ?
C14A C13A C18A 120.0 . . ?
C14A C13A C11A 120.6(3) . . ?
C18A C13A C11A 119.4(3) . . ?
C13A C14A C15A 120.0 . . ?
C16A C15A C14A 120.0 . . ?
C15A C16A C17A 120.0 . . ?
C18A C17A C16A 120.0 . . ?
C17A C18A C13A 120.0 . . ?
O5A C19A O6A 124.6(5) . . ?
O5A C19A C20A 118.2(4) . . ?
O6A C19A C20A 117.2(4) . . ?
C22A C20A C19A 114.2(4) . . ?
C22A C20A C21A 114.2(4) . . ?
C19A C20A C21A 108.0(4) . . ?
C23A C22A C27A 120.0 . . ?
C23A C22A C20A 115.7(3) . . ?
C27A C22A C20A 124.3(3) . . ?
C24A C23A C22A 120.0 . . ?
C25A C24A C23A 120.0 . . ?
C24A C25A C26A 120.0 . . ?
C27A C26A C25A 120.0 . . ?
C26A C27A C22A 120.0 . . ?
O7A C28A O8A 119.3(4) . . ?
O7A C28A C29A 122.6(4) . . ?
O8A C28A C29A 118.1(4) . . ?
O7A C28A Eu2A 63.3(3) . . ?
O8A C28A Eu2A 57.5(2) . . ?
C29A C28A Eu2A 166.8(3) . . ?
C31A C29A C28A 111.1(4) . . ?
C31A C29A C30A 117.4(4) . . ?
C28A C29A C30A 107.4(4) . . ?
C36A C31A C32A 117.6(4) . . ?
C36A C31A C29A 123.2(4) . . ?
C32A C31A C29A 119.3(4) . . ?
C33A C32A C31A 120.7(5) . . ?
C32A C33A C34A 120.7(5) . . ?
C35A C34A C33A 119.0(5) . . ?
C34A C35A C36A 119.9(5) . . ?
C31A C36A C35A 122.1(5) . . ?
O10A C37A O9A 119.9(5) . . ?
O10A C37A C38A 120.3(5) . . ?
O9A C37A C38A 119.9(4) . . ?
O10A C37A Eu1A 60.0(3) . . ?
O9A C37A Eu1A 60.9(2) . . ?
C38A C37A Eu1A 170.4(3) . . ?
C37A C38A C39A 111.1(4) . . ?
C37A C38A C40A 110.5(4) . . ?
C39A C38A C40A 113.6(4) . . ?
C41A C40A C45A 118.2(5) . . ?
C41A C40A C38A 122.6(5) . . ?
C45A C40A C38A 119.1(5) . . ?
C40A C41A C42A 121.5(5) . . ?
C43A C42A C41A 119.3(5) . . ?
C42A C43A C44A 120.8(5) . . ?
C43A C44A C45A 119.4(5) . . ?
C40A C45A C44A 120.7(5) . . ?
O12A C46A O11A 121.8(5) . . ?
O12A C46A C47A 119.6(5) . . ?
O11A C46A C47A 118.4(5) . . ?
O12A C46A Eu2A 61.0(3) . . ?
O11A C46A Eu2A 61.6(3) . . ?
C47A C46A Eu2A 167.2(3) . . ?
C46A C47A C48A 111.5(4) . . ?
C46A C47A C49A 106.2(4) . . ?
C48A C47A C49A 114.0(4) . . ?
C54A C49A C50A 119.6(5) . . ?
C54A C49A C47A 120.5(4) . . ?
C50A C49A C47A 119.9(4) . . ?
C49A C50A C51A 119.8(5) . . ?
C52A C51A C50A 118.9(5) . . ?
C53A C52A C51A 120.7(5) . . ?
C52A C53A C54A 119.1(5) . . ?
C49A C54A C53A 121.8(5) . . ?
N1A C55A C56A 123.0(4) . . ?
C57A C56A C55A 119.8(5) . . ?
C56A C57A C58A 118.7(5) . . ?
C59A C58A C57A 116.6(5) . . ?
C59A C58A C61A 120.9(5) . . ?
C57A C58A C61A 122.5(5) . . ?
N1A C59A C58A 124.8(5) . . ?
N1A C59A C60A 117.5(4) . . ?
C58A C59A C60A 117.6(5) . . ?
N2A C60A C63A 122.6(4) . . ?
N2A C60A C59A 117.4(4) . . ?
C63A C60A C59A 120.0(4) . . ?
C62A C61A C58A 121.5(5) . . ?
C61A C62A C63A 120.4(5) . . ?
C64A C63A C60A 119.3(5) . . ?
C64A C63A C62A 121.2(5) . . ?
C60A C63A C62A 119.5(5) . . ?
C65A C64A C63A 118.1(5) . . ?
C64A C65A C66A 118.8(5) . . ?
N2A C66A C65A 125.8(5) . . ?
N3A C67A C68A 125.9(5) . . ?
C69A C68A C67A 117.4(5) . . ?
C68A C69A C70A 119.7(5) . . ?
C71A C70A C73A 121.7(5) . . ?
C71A C70A C69A 116.5(4) . . ?
C73A C70A C69A 121.7(4) . . ?
N3A C71A C70A 124.8(5) . . ?
N3A C71A C72A 118.3(4) . . ?
C70A C71A C72A 116.9(4) . . ?
N4A C72A C75A 121.5(5) . . ?
N4A C72A C71A 117.9(4) . . ?
C75A C72A C71A 120.6(4) . . ?
C74A C73A C70A 120.5(5) . . ?
C73A C74A C75A 121.9(5) . . ?
C76A C75A C74A 123.3(4) . . ?
C76A C75A C72A 118.3(4) . . ?
C74A C75A C72A 118.4(4) . . ?
C77A C76A C75A 119.1(4) . . ?
C76A C77A C78A 118.9(4) . . ?
N4A C78A C77A 125.3(4) . . ?
O5B Eu1B O1B 138.26(11) . . ?
O5B Eu1B O7B 75.80(10) . . ?
O1B Eu1B O7B 76.92(11) . . ?
O5B Eu1B O10B 78.98(10) . . ?
O1B Eu1B O10B 128.98(11) . . ?
O7B Eu1B O10B 84.91(11) . . ?
O5B Eu1B O4B 87.91(10) . . ?
O1B Eu1B O4B 83.11(10) . . ?
O7B Eu1B O4B 125.84(10) . . ?
O10B Eu1B O4B 142.49(10) . . ?
O5B Eu1B O9B 124.82(10) . . ?
O1B Eu1B O9B 77.34(11) . . ?
O7B Eu1B O9B 76.21(10) . . ?
O10B Eu1B O9B 51.98(10) . . ?
O4B Eu1B O9B 146.10(10) . . ?
O5B Eu1B O3B 72.45(10) . . ?
O1B Eu1B O3B 70.08(10) . . ?
O7B Eu1B O3B 74.17(10) . . ?
O10B Eu1B O3B 147.84(10) . . ?
O4B Eu1B O3B 51.69(9) . . ?
O9B Eu1B O3B 139.88(10) . . ?
O5B Eu1B N1B 140.35(11) . . ?
O1B Eu1B N1B 77.58(12) . . ?
O7B Eu1B N1B 140.87(11) . . ?
O10B Eu1B N1B 88.59(11) . . ?
O4B Eu1B N1B 79.40(11) . . ?
O9B Eu1B N1B 69.57(11) . . ?
O3B Eu1B N1B 122.98(11) . . ?
O5B Eu1B N2B 77.79(11) . . ?
O1B Eu1B N2B 135.01(11) . . ?
O7B Eu1B N2B 148.00(11) . . ?
O10B Eu1B N2B 72.53(10) . . ?
O4B Eu1B N2B 70.38(10) . . ?
O9B Eu1B N2B 105.21(11) . . ?
O3B Eu1B N2B 114.28(10) . . ?
N1B Eu1B N2B 62.56(12) . . ?
O5B Eu1B C46B 103.02(13) . . ?
O1B Eu1B C46B 103.42(14) . . ?
O7B Eu1B C46B 81.39(12) . . ?
O10B Eu1B C46B 26.01(12) . . ?
O4B Eu1B C46B 152.66(12) . . ?
O9B Eu1B C46B 26.09(11) . . ?
O3B Eu1B C46B 155.53(12) . . ?
N1B Eu1B C46B 76.26(13) . . ?
N2B Eu1B C46B 87.31(12) . . ?
O5B Eu1B C10B 79.85(12) . . ?
O1B Eu1B C10B 74.76(12) . . ?
O7B Eu1B C10B 100.47(12) . . ?
O10B Eu1B C10B 156.12(12) . . ?
O4B Eu1B C10B 25.38(10) . . ?
O9B Eu1B C10B 151.90(12) . . ?
O3B Eu1B C10B 26.33(10) . . ?
N1B Eu1B C10B 100.86(13) . . ?
N2B Eu1B C10B 92.28(12) . . ?
C46B Eu1B C10B 176.93(14) . . ?
O5B Eu1B Eu2B 69.13(7) . . ?
O1B Eu1B Eu2B 69.72(8) . . ?
O7B Eu1B Eu2B 39.14(8) . . ?
O10B Eu1B Eu2B 119.81(7) . . ?
O4B Eu1B Eu2B 86.72(7) . . ?
O9B Eu1B Eu2B 111.42(7) . . ?
O3B Eu1B Eu2B 35.03(6) . . ?
N1B Eu1B Eu2B 145.75(9) . . ?
N2B Eu1B Eu2B 140.30(8) . . ?
C46B Eu1B Eu2B 120.54(10) . . ?
C10B Eu1B Eu2B 61.36(9) . . ?
O3B Eu2B O6B 77.47(11) . . ?
O3B Eu2B O2B 72.37(10) . . ?
O6B Eu2B O2B 138.25(10) . . ?
O3B Eu2B O8B 126.38(10) . . ?
O6B Eu2B O8B 78.07(11) . . ?
O2B Eu2B O8B 97.26(10) . . ?
O3B Eu2B O12B 95.71(10) . . ?
O6B Eu2B O12B 124.01(10) . . ?
O2B Eu2B O12B 87.58(10) . . ?
O8B Eu2B O12B 137.19(10) . . ?
O3B Eu2B O11B 76.31(10) . . ?
O6B Eu2B O11B 72.71(11) . . ?
O2B Eu2B O11B 125.06(11) . . ?
O8B Eu2B O11B 137.49(10) . . ?
O12B Eu2B O11B 52.02(10) . . ?
O3B Eu2B O7B 75.02(10) . . ?
O6B Eu2B O7B 70.82(10) . . ?
O2B Eu2B O7B 73.94(10) . . ?
O8B Eu2B O7B 51.97(9) . . ?
O12B Eu2B O7B 161.06(10) . . ?
O11B Eu2B O7B 137.42(10) . . ?
O3B Eu2B N4B 144.98(10) . . ?
O6B Eu2B N4B 82.11(12) . . ?
O2B Eu2B N4B 137.50(11) . . ?
O8B Eu2B N4B 75.47(11) . . ?
O12B Eu2B N4B 72.72(11) . . ?
O11B Eu2B N4B 70.57(11) . . ?
O7B Eu2B N4B 124.09(11) . . ?
O3B Eu2B N3B 145.24(11) . . ?
O6B Eu2B N3B 136.76(12) . . ?
O2B Eu2B N3B 74.96(11) . . ?
O8B Eu2B N3B 69.17(11) . . ?
O12B Eu2B N3B 71.23(11) . . ?
O11B Eu2B N3B 114.60(11) . . ?
O7B Eu2B N3B 106.92(11) . . ?
N4B Eu2B N3B 63.22(11) . . ?
O3B Eu2B C37B 88.83(12) . . ?
O6B Eu2B C37B 97.47(13) . . ?
O2B Eu2B C37B 109.89(13) . . ?
O8B Eu2B C37B 141.30(11) . . ?
O12B Eu2B C37B 26.57(12) . . ?
O11B Eu2B C37B 25.92(11) . . ?
O7B Eu2B C37B 161.62(12) . . ?
N4B Eu2B C37B 65.86(12) . . ?
N3B Eu2B C37B 91.34(13) . . ?
O3B Eu2B C28B 101.35(12) . . ?
O6B Eu2B C28B 74.88(12) . . ?
O2B Eu2B C28B 83.42(13) . . ?
O8B Eu2B C28B 25.76(11) . . ?
O12B Eu2B C28B 157.25(12) . . ?
O11B Eu2B C28B 147.22(13) . . ?
O7B Eu2B C28B 26.38(11) . . ?
N4B Eu2B C28B 100.36(13) . . ?
N3B Eu2B C28B 86.25(13) . . ?
C37B Eu2B C28B 165.37(14) . . ?
O3B Eu2B Eu1B 38.91(7) . . ?
O6B Eu2B Eu1B 69.02(8) . . ?
O2B Eu2B Eu1B 69.36(7) . . ?
O8B Eu2B Eu1B 87.70(7) . . ?
O12B Eu2B Eu1B 132.79(7) . . ?
O11B Eu2B Eu1B 109.12(7) . . ?
O7B Eu2B Eu1B 36.12(7) . . ?
N4B Eu2B Eu1B 149.12(9) . . ?
N3B Eu2B Eu1B 134.25(8) . . ?
C37B Eu2B Eu1B 127.05(9) . . ?
C28B Eu2B Eu1B 62.44(10) . . ?
C1B O1B Eu1B 136.5(3) . . ?
C1B O2B Eu2B 134.6(3) . . ?
C10B O3B Eu2B 161.5(3) . . ?
C10B O3B Eu1B 92.4(3) . . ?
Eu2B O3B Eu1B 106.05(11) . . ?
C10B O4B Eu1B 96.3(3) . . ?
C19B O5B Eu1B 134.5(3) . . ?
C19B O6B Eu2B 136.6(3) . . ?
C28B O7B Eu1B 163.1(3) . . ?
C28B O7B Eu2B 91.4(3) . . ?
Eu1B O7B Eu2B 104.73(12) . . ?
C28B O8B Eu2B 97.2(3) . . ?
C46B O9B Eu1B 92.6(3) . . ?
C46B O10B Eu1B 94.7(3) . . ?
C37B O11B Eu2B 92.0(3) . . ?
C37B O12B Eu2B 93.1(3) . . ?
C55B N1B C59B 115.7(4) . . ?
C55B N1B Eu1B 122.6(3) . . ?
C59B N1B Eu1B 121.7(3) . . ?
C66B N2B C60B 118.6(4) . . ?
C66B N2B Eu1B 122.2(3) . . ?
C60B N2B Eu1B 119.2(3) . . ?
C67B N3B C71B 117.2(4) . . ?
C67B N3B Eu2B 122.7(3) . . ?
C71B N3B Eu2B 120.0(3) . . ?
C78B N4B C72B 117.6(4) . . ?
C78B N4B Eu2B 121.9(3) . . ?
C72B N4B Eu2B 120.5(3) . . ?
O2B C1B O1B 124.9(5) . . ?
O2B C1B C2B 117.2(4) . . ?
O1B C1B C2B 117.9(4) . . ?
C1B C2B C4B 113.1(4) . . ?
C1B C2B C3B 112.6(4) . . ?
C4B C2B C3B 112.0(3) . . ?
C5B C4B C9B 120.0 . . ?
C5B C4B C2B 120.9(3) . . ?
C9B C4B C2B 118.9(3) . . ?
C6B C5B C4B 120.0 . . ?
C5B C6B C7B 120.0 . . ?
C8B C7B C6B 120.0 . . ?
C9B C8B C7B 120.0 . . ?
C8B C9B C4B 120.0 . . ?
O4B C10B O3B 119.6(4) . . ?
O4B C10B C11B 122.9(4) . . ?
O3B C10B C11B 117.4(4) . . ?
O4B C10B Eu1B 58.3(2) . . ?
O3B C10B Eu1B 61.3(2) . . ?
C11B C10B Eu1B 174.9(3) . . ?
C10B C11B C12B 112.1(4) . . ?
C10B C11B C13B 108.8(3) . . ?
C12B C11B C13B 112.2(4) . . ?
C14B C13B C18B 120.0 . . ?
C14B C13B C11B 119.9(3) . . ?
C18B C13B C11B 120.0(3) . . ?
C15B C14B C13B 120.0 . . ?
C14B C15B C16B 120.0 . . ?
C17B C16B C15B 120.0 . . ?
C16B C17B C18B 120.0 . . ?
C17B C18B C13B 120.0 . . ?
O6B C19B O5B 125.4(5) . . ?
O6B C19B C20B 116.8(4) . . ?
O5B C19B C20B 117.7(4) . . ?
C22B C20B C19B 116.1(4) . . ?
C22B C20B C21B 112.4(4) . . ?
C19B C20B C21B 105.8(4) . . ?
C23B C22B C27B 120.0 . . ?
C23B C22B C20B 118.4(3) . . ?
C27B C22B C20B 121.5(3) . . ?
C22B C23B C24B 120.0 . . ?
C25B C24B C23B 120.0 . . ?
C24B C25B C26B 120.0 . . ?
C25B C26B C27B 120.0 . . ?
C26B C27B C22B 120.0 . . ?
O8B C28B O7B 118.7(5) . . ?
O8B C28B C29B 119.6(4) . . ?
O7B C28B C29B 121.3(4) . . ?
O8B C28B Eu2B 57.0(2) . . ?
O7B C28B Eu2B 62.2(3) . . ?
C29B C28B Eu2B 166.2(4) . . ?
C28B C29B C31B 108.7(4) . . ?
C28B C29B C30B 109.7(4) . . ?
C31B C29B C30B 114.6(4) . . ?
C32B C31B C36B 120.0 . . ?
C32B C31B C29B 121.6(3) . . ?
C36B C31B C29B 118.3(3) . . ?
C31B C32B C33B 120.0 . . ?
C32B C33B C34B 120.0 . . ?
C35B C34B C33B 120.0 . . ?
C36B C35B C34B 120.0 . . ?
C35B C36B C31B 120.0 . . ?
O11B C37B O12B 120.8(4) . . ?
O11B C37B C38B 122.2(4) . . ?
O12B C37B C38B 117.0(4) . . ?
O11B C37B Eu2B 62.1(2) . . ?
O12B C37B Eu2B 60.3(2) . . ?
C38B C37B Eu2B 165.7(3) . . ?
C37B C38B C40B 109.5(4) . . ?
C37B C38B C39B 112.2(4) . . ?
C40B C38B C39B 111.7(4) . . ?
C41B C40B C45B 117.0(5) . . ?
C41B C40B C38B 120.3(5) . . ?
C45B C40B C38B 122.5(5) . . ?
C40B C41B C42B 123.3(5) . . ?
C41B C42B C43B 118.3(5) . . ?
C44B C43B C42B 120.3(5) . . ?
C43B C44B C45B 120.1(5) . . ?
C44B C45B C40B 120.9(5) . . ?
O10B C46B O9B 120.1(5) . . ?
O10B C46B C47B 119.3(5) . . ?
O9B C46B C47B 120.5(4) . . ?
O10B C46B Eu1B 59.3(3) . . ?
O9B C46B Eu1B 61.3(3) . . ?
C47B C46B Eu1B 174.1(3) . . ?
C49D C47B C48B 115.0(17) . . ?
C49D C47B C46B 112.0(17) . . ?
C48B C47B C46B 109.2(4) . . ?
C48B C47B C49B 115.2(8) . . ?
C46B C47B C49B 109.5(8) . . ?
C50B C49B C54B 117.5(8) . . ?
C50B C49B C47B 122.3(12) . . ?
C54B C49B C47B 120.2(11) . . ?
C49B C50B C51B 120.6(8) . . ?
C52B C51B C50B 122.0(7) . . ?
C51B C52B C53B 119.1(8) . . ?
C52B C53B C54B 120.1(8) . . ?
C49B C54B C53B 120.8(7) . . ?
C47B C49D C50D 116(2) . . ?
C47B C49D C54D 124(2) . . ?
C50D C49D C54D 120.0 . . ?
C51D C50D C49D 120.0 . . ?
C52D C51D C50D 120.0 . . ?
C53D C52D C51D 120.0 . . ?
C54D C53D C52D 120.0 . . ?
C53D C54D C49D 120.0 . . ?
N1B C55B C56B 125.5(5) . . ?
C55B C56B C57B 118.5(5) . . ?
C56B C57B C58B 119.2(4) . . ?
C57B C58B C61B 122.5(5) . . ?
C57B C58B C59B 117.7(5) . . ?
C61B C58B C59B 119.8(5) . . ?
N1B C59B C60B 117.9(4) . . ?
N1B C59B C58B 123.4(5) . . ?
C60B C59B C58B 118.7(5) . . ?
N2B C60B C59B 118.6(4) . . ?
N2B C60B C63B 120.4(5) . . ?
C59B C60B C63B 121.0(5) . . ?
C62B C61B C58B 122.6(5) . . ?
C61B C62B C63B 119.5(5) . . ?
C64B C63B C60B 119.0(4) . . ?
C64B C63B C62B 122.5(4) . . ?
C60B C63B C62B 118.4(5) . . ?
C65B C64B C63B 119.9(4) . . ?
C64B C65B C66B 118.7(5) . . ?
N2B C66B C65B 123.3(4) . . ?
N3B C67B C68B 123.6(4) . . ?
C69B C68B C67B 118.4(4) . . ?
C68B C69B C70B 119.9(4) . . ?
C71B C70B C69B 118.1(4) . . ?
C71B C70B C73B 119.1(5) . . ?
C69B C70B C73B 122.6(4) . . ?
N3B C71B C70B 122.7(4) . . ?
N3B C71B C72B 117.7(4) . . ?
C70B C71B C72B 119.5(4) . . ?
N4B C72B C75B 122.7(5) . . ?
N4B C72B C71B 118.2(4) . . ?
C75B C72B C71B 119.2(4) . . ?
C74B C73B C70B 121.2(5) . . ?
C73B C74B C75B 121.7(5) . . ?
C76B C75B C72B 117.6(5) . . ?
C76B C75B C74B 123.2(5) . . ?
C72B C75B C74B 119.2(5) . . ?
C77B C76B C75B 121.0(5) . . ?
C76B C77B C78B 117.3(5) . . ?
N4B C78B C77B 123.8(5) . . ?
O2L C1L O1L 121.6(5) . . ?
O2L C1L C2L 124.3(5) . . ?
O1L C1L C2L 114.0(4) . . ?
C3L C2L C4L 113.6(3) . . ?
C3L C2L C1L 110.7(4) . . ?
C4L C2L C1L 109.7(4) . . ?
C5L C4L C9L 120.0 . . ?
C5L C4L C2L 120.4(3) . . ?
C9L C4L C2L 119.6(3) . . ?
C4L C5L C6L 120.0 . . ?
C7L C6L C5L 120.0 . . ?
C6L C7L C8L 120.0 . . ?
C9L C8L C7L 120.0 . . ?
C8L C9L C4L 120.0 . . ?
O4L C10L O3L 122.3(5) . . ?
O4L C10L C11L 125.4(5) . . ?
O3L C10L C11L 112.2(5) . . ?
C10L C11L C12L 112.6(5) . . ?
C10L C11L C13L 109.5(4) . . ?
C12L C11L C13L 109.0(4) . . ?
C14L C13L C18L 120.0 . . ?
C14L C13L C11L 121.4(4) . . ?
C18L C13L C11L 118.6(4) . . ?
C15L C14L C13L 120.0 . . ?
C14L C15L C16L 120.0 . . ?
C15L C16L C17L 120.0 . . ?
C18L C17L C16L 120.0 . . ?
C17L C18L C13L 120.0 . . ?
O6L C19L O5L 123.1(9) . . ?
O6L C19L C20L 126.6(9) . . ?
O5L C19L C20L 109.9(8) . . ?
C21L C20L C22L 134.1(7) . . ?
C21L C20L C19L 104.4(7) . . ?
C22L C20L C19L 102.6(6) . . ?
C23L C22L C27L 120.0 . . ?
C23L C22L C20L 117.4(5) . . ?
C27L C22L C20L 122.6(5) . . ?
C22L C23L C24L 120.0 . . ?
C25L C24L C23L 120.0 . . ?
C24L C25L C26L 120.0 . . ?
C27L C26L C25L 120.0 . . ?
C26L C27L C22L 120.0 . . ?
O6K C19K O5K 122.9(19) . . ?
O6K C19K C20K 124(2) . . ?
O5K C19K C20K 113(2) . . ?
C21K C20K C19K 114(2) . . ?
C21K C20K C22K 109(3) . . ?
C19K C20K C22K 109(2) . . ?
C23K C22K C27K 120.0 . . ?
C23K C22K C20K 123.9(18) . . ?
C27K C22K C20K 115.9(18) . . ?
C24K C23K C22K 120.0 . . ?
C23K C24K C25K 120.0 . . ?
C26K C25K C24K 120.0 . . ?
C25K C26K C27K 120.0 . . ?
C26K C27K C22K 120.0 . . ?
O8L C28L O7L 123.8(5) . . ?
O8L C28L C29L 125.6(5) . . ?
O7L C28L C29L 110.6(5) . . ?
C31L C29L C28L 114.1(4) . . ?
C31L C29L C30L 112.0(4) . . ?
C28L C29L C30L 108.1(4) . . ?
C36L C31L C32L 117.8(5) . . ?
C36L C31L C29L 119.5(4) . . ?
C32L C31L C29L 122.6(4) . . ?
C33L C32L C31L 121.1(5) . . ?
C34L C33L C32L 119.9(5) . . ?
C35L C34L C33L 120.5(5) . . ?
C34L C35L C36L 120.2(5) . . ?
C31L C36L C35L 120.4(5) . . ?
O10L C37L O9L 124.2(4) . . ?
O10L C37L C38L 125.0(4) . . ?
O9L C37L C38L 110.7(4) . . ?
C39L C38L C40L 114.4(4) . . ?
C39L C38L C37L 111.9(4) . . ?
C40L C38L C37L 106.2(3) . . ?
C45L C40L C41L 118.4(4) . . ?
C45L C40L C38L 122.9(4) . . ?
C41L C40L C38L 118.5(4) . . ?
C40L C41L C42L 120.5(4) . . ?
C43L C42L C41L 120.2(5) . . ?
C42L C43L C44L 118.9(5) . . ?
C45L C44L C43L 120.8(4) . . ?
C44L C45L C40L 121.1(5) . . ?

_refine_diff_density_max         1.132
_refine_diff_density_min         -0.837
_refine_diff_density_rms         0.088


_exptl_crystal_preparation       ', Magnetic properties,Luminescent'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_S-1
_database_code_depnum_ccdc_archive 'CCDC 1521197'
_audit_update_record             
;
2017-02-24 deposited with the CCDC.
2017-04-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C201 H190 N8 O34 Tb4'
_chemical_formula_weight         3897.28

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

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

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

_cell_length_a                   17.6062(11)
_cell_length_b                   19.2507(12)
_cell_length_c                   26.6339(15)
_cell_angle_alpha                90
_cell_angle_beta                 99.980(2)
_cell_angle_gamma                90
_cell_volume                     8890.5(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9917
_cell_measurement_theta_min      2.35
_cell_measurement_theta_max      30.44

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.456
_exptl_crystal_F_000             3968
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_min          0.134
_exptl_crystal_size_mid          0.158
_exptl_crystal_size_max          0.657
_exptl_absorpt_coefficient_mu    1.649
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5360
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            243804
_diffrn_reflns_av_unetI/netI     0.0592
_diffrn_reflns_av_R_equivalents  0.0528
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         2.254
_diffrn_reflns_theta_max         30.604
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             54385
_reflns_number_gt                45195
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.944
_reflns_Friedel_fraction_max     0.992
_reflns_Friedel_fraction_full    0.997

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0286P)²+13.3134P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 18614 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.005(2)
_chemical_absolute_configuration rmad
_refine_ls_number_reflns         54385
_refine_ls_number_parameters     2164
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0613
_refine_ls_R_factor_gt           0.0427
_refine_ls_wR_factor_ref         0.0887
_refine_ls_wR_factor_gt          0.0818
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_restrained_S_all      1.015
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb1A Tb 0.19357(2) 0.59652(8) 0.18414(2) 0.01524(7) Uani 1 1 d . . . . .
Tb2A Tb 0.30970(2) 0.63348(8) 0.07211(2) 0.01600(5) Uani 1 1 d . . . . .
O1A O 0.3031(2) 0.5281(2) 0.19086(16) 0.0242(10) Uani 1 1 d . . . . .
O2A O 0.3638(2) 0.5403(2) 0.12407(15) 0.0198(8) Uani 1 1 d . . . . .
O3A O 0.3184(2) 0.6745(2) 0.15575(15) 0.0210(9) Uani 1 1 d . . . . .
O4A O 0.2884(2) 0.6678(2) 0.23267(16) 0.0244(9) Uani 1 1 d . . . . .
O5A O 0.1435(2) 0.6899(2) 0.13265(16) 0.0210(9) Uani 1 1 d . . . . .
O6A O 0.2001(2) 0.7032(2) 0.06398(16) 0.0222(9) Uani 1 1 d . . . . .
O7A O 0.1972(2) 0.5639(2) 0.10057(14) 0.0174(8) Uani 1 1 d . . . . .
O8A O 0.2205(2) 0.5521(2) 0.02302(15) 0.0230(9) Uani 1 1 d . . . . .
O9A O 0.1377(2) 0.4781(2) 0.18095(16) 0.0212(9) Uani 1 1 d D . . . .
O10A O 0.0573(2) 0.5654(2) 0.17623(17) 0.0252(9) Uani 1 1 d . . . . .
O11A O 0.3565(2) 0.7531(2) 0.06466(16) 0.0236(9) Uani 1 1 d . . . . .
O12A O 0.4437(2) 0.6705(3) 0.07972(17) 0.0277(10) Uani 1 1 d . . . . .
N1A N 0.1984(3) 0.5513(3) 0.27443(19) 0.0199(10) Uani 1 1 d . . . . .
N2A N 0.1346(3) 0.6770(3) 0.24461(18) 0.0212(10) Uani 1 1 d . . . . .
N3A N 0.3774(3) 0.5578(3) 0.01167(18) 0.0230(11) Uani 1 1 d . . . . .
N4A N 0.2943(3) 0.6730(3) -0.02152(18) 0.0169(10) Uani 1 1 d . . . . .
C1A C 0.3579(3) 0.5176(3) 0.1674(2) 0.0203(12) Uani 1 1 d . . . . .
C2A C 0.4240(3) 0.4737(3) 0.1961(2) 0.0238(7) Uani 1 1 d . . . . .
H2A H 0.398247 0.436430 0.213111 0.029 Uiso 1 1 calc R U . A 1
C3A C 0.4702(4) 0.4351(4) 0.1614(3) 0.0337(15) Uani 1 1 d . . . . .
H3AA H 0.435788 0.404522 0.138399 0.051 Uiso 1 1 calc R U . . .
H3AB H 0.510526 0.407302 0.182157 0.051 Uiso 1 1 calc R U . . .
H3AC H 0.494099 0.468739 0.141236 0.051 Uiso 1 1 calc R U . . .
C4A C 0.4686(6) 0.5102(6) 0.2358(4) 0.0305(10) Uani 0.6 1 d . . P B 1
C5A C 0.4833(6) 0.5812(6) 0.2332(4) 0.0305(10) Uani 0.6 1 d . . P B 1
H5A H 0.461766 0.606045 0.203258 0.037 Uiso 0.6 1 calc R U P B 1
C6A C 0.5277(5) 0.6160(6) 0.2722(4) 0.0305(10) Uani 0.6 1 d . . P B 1
H6A H 0.537480 0.664150 0.268684 0.037 Uiso 0.6 1 calc R U P B 1
C7A C 0.5590(7) 0.5818(7) 0.3175(4) 0.0305(10) Uani 0.6 1 d . . P B 1
H7A H 0.589664 0.606461 0.344669 0.037 Uiso 0.6 1 calc R U P B 1
C8A C 0.5448(6) 0.5121(6) 0.3222(4) 0.0305(10) Uani 0.6 1 d . . P B 1
H8A H 0.565067 0.488257 0.352808 0.037 Uiso 0.6 1 calc R U P B 1
C9A C 0.5007(6) 0.4765(6) 0.2818(4) 0.0305(10) Uani 0.6 1 d . . P B 1
H9A H 0.491964 0.428161 0.285220 0.037 Uiso 0.6 1 calc R U P B 1
C4C C 0.4860(7) 0.5374(7) 0.2281(5) 0.056(2) Uani 0.4 1 d G . P B 2
C5C C 0.5188(7) 0.5875(8) 0.2009(4) 0.056(2) Uani 0.4 1 d G . P B 2
H5C H 0.506937 0.588289 0.164752 0.067 Uiso 0.4 1 calc R U P B 2
C6C C 0.5690(7) 0.6365(7) 0.2267(5) 0.056(2) Uani 0.4 1 d G . P B 2
H6C H 0.591441 0.670773 0.208166 0.067 Uiso 0.4 1 calc R U P B 2
C7C C 0.5863(7) 0.6354(7) 0.2797(5) 0.056(2) Uani 0.4 1 d G . P B 2
H7C H 0.620653 0.668921 0.297276 0.067 Uiso 0.4 1 calc R U P B 2
C8C C 0.5535(8) 0.5853(9) 0.3068(4) 0.056(2) Uani 0.4 1 d G . P B 2
H8C H 0.565361 0.584585 0.342974 0.067 Uiso 0.4 1 calc R U P B 2
C9C C 0.5033(8) 0.5363(8) 0.2810(5) 0.056(2) Uani 0.4 1 d G . P B 2
H9C H 0.480857 0.502100 0.299562 0.067 Uiso 0.4 1 calc R U P B 2
C10A C 0.3262(3) 0.6941(4) 0.2016(2) 0.0238(7) Uani 1 1 d . . . . .
C11A C 0.3815(3) 0.7531(3) 0.2223(2) 0.0238(7) Uani 1 1 d . . . . .
H11A H 0.410876 0.737710 0.256021 0.029 Uiso 1 1 calc R U . . .
C12A C 0.4405(3) 0.7728(4) 0.1888(3) 0.0296(14) Uani 1 1 d . . . . .
H12A H 0.465421 0.730734 0.178845 0.044 Uiso 1 1 calc R U . . .
H12B H 0.479555 0.803583 0.207908 0.044 Uiso 1 1 calc R U . . .
H12C H 0.414319 0.796869 0.158209 0.044 Uiso 1 1 calc R U . . .
C13A C 0.3329(3) 0.8156(3) 0.2320(2) 0.0239(13) Uani 1 1 d . . . . .
C14A C 0.2730(4) 0.8395(4) 0.1940(3) 0.0402(18) Uani 1 1 d . . . . .
H14A H 0.262726 0.816367 0.162049 0.048 Uiso 1 1 calc R U . . .
C15A C 0.2289(4) 0.8962(4) 0.2026(4) 0.049(2) Uani 1 1 d . . . . .
H15A H 0.187715 0.911241 0.177012 0.059 Uiso 1 1 calc R U . . .
C16A C 0.2449(4) 0.9309(4) 0.2486(4) 0.048(2) Uani 1 1 d . . . . .
H16A H 0.214781 0.970088 0.254286 0.057 Uiso 1 1 calc R U . . .
C17A C 0.3041(4) 0.9095(4) 0.2865(3) 0.0372(17) Uani 1 1 d . . . . .
H17A H 0.314641 0.933906 0.317966 0.045 Uiso 1 1 calc R U . . .
C18A C 0.3483(4) 0.8515(4) 0.2780(3) 0.0297(14) Uani 1 1 d . . . . .
H18A H 0.389076 0.836513 0.303937 0.036 Uiso 1 1 calc R U . . .
C19A C 0.1446(4) 0.7102(3) 0.0877(2) 0.0207(12) Uani 1 1 d . . . . .
C20A C 0.0726(4) 0.7472(4) 0.0591(3) 0.0309(15) Uani 1 1 d . . . . .
H20A H 0.088647 0.773134 0.030102 0.037 Uiso 1 1 calc R U . . .
C21A C 0.0162(5) 0.6903(4) 0.0359(4) 0.057(2) Uani 1 1 d . . . . .
H21A H -0.029779 0.711738 0.015949 0.086 Uiso 1 1 calc R U . . .
H21B H 0.001205 0.662234 0.063352 0.086 Uiso 1 1 calc R U . . .
H21C H 0.041135 0.660477 0.013770 0.086 Uiso 1 1 calc R U . . .
C23A C -0.0132(7) 0.7904(7) 0.1224(5) 0.0340(10) Uani 0.6 1 d . . P C 1
H23A H -0.031831 0.744828 0.126795 0.041 Uiso 0.6 1 calc R U P C 1
C24A C -0.0406(7) 0.8451(7) 0.1491(5) 0.0340(10) Uani 0.6 1 d . . P C 1
H24A H -0.077972 0.837101 0.170190 0.041 Uiso 0.6 1 calc R U P C 1
C25A C -0.0121(7) 0.9101(7) 0.1439(5) 0.0340(10) Uani 0.6 1 d . . P C 1
H25A H -0.029632 0.947666 0.161996 0.041 Uiso 0.6 1 calc R U P C 1
C26A C 0.0421(7) 0.9226(7) 0.1124(5) 0.0340(10) Uani 0.6 1 d . . P C 1
H26A H 0.061422 0.968166 0.109371 0.041 Uiso 0.6 1 calc R U P C 1
C27A C 0.0678(7) 0.8676(7) 0.0856(5) 0.0340(10) Uani 0.6 1 d . . P C 1
H27A H 0.104631 0.875571 0.063998 0.041 Uiso 0.6 1 calc R U P C 1
C22A C 0.0383(4) 0.7992(4) 0.0908(3) 0.0340(10) Uani 1 1 d G . . . .
C23C C -0.0121(7) 0.7698(6) 0.1196(5) 0.072(4) Uani 0.4 1 d G . P C 2
H23C H -0.021192 0.721188 0.118263 0.086 Uiso 0.4 1 calc R U P C 2
C24C C -0.0492(9) 0.8117(11) 0.1504(6) 0.072(4) Uani 0.4 1 d G . P C 2
H24C H -0.083629 0.791614 0.170063 0.086 Uiso 0.4 1 calc R U P C 2
C25C C -0.0359(10) 0.8829(10) 0.1523(6) 0.072(4) Uani 0.4 1 d G . P C 2
H25C H -0.061205 0.911473 0.173363 0.086 Uiso 0.4 1 calc R U P C 2
C26C C 0.0146(10) 0.9122(5) 0.1235(8) 0.072(4) Uani 0.4 1 d G . P C 2
H26C H 0.023657 0.960908 0.124863 0.086 Uiso 0.4 1 calc R U P C 2
C27C C 0.0516(7) 0.8704(4) 0.0928(6) 0.072(4) Uani 0.4 1 d G . P C 2
H27C H 0.086095 0.890484 0.073062 0.086 Uiso 0.4 1 calc R U P C 2
C28A C 0.1882(3) 0.5314(3) 0.0587(2) 0.0165(11) Uani 1 1 d . . . . .
C29A C 0.1380(3) 0.4661(3) 0.0517(2) 0.0220(12) Uani 1 1 d . . . . .
H29A H 0.128628 0.451427 0.086136 0.026 Uiso 1 1 calc R U . . .
C30A C 0.0602(4) 0.4854(3) 0.0198(3) 0.0292(14) Uani 1 1 d . . . . .
H30A H 0.067970 0.502350 -0.013646 0.044 Uiso 1 1 calc R U . . .
H30B H 0.035901 0.521857 0.037230 0.044 Uiso 1 1 calc R U . . .
H30C H 0.026744 0.444351 0.015286 0.044 Uiso 1 1 calc R U . . .
C31A C 0.1815(3) 0.4076(3) 0.0306(2) 0.0216(12) Uani 1 1 d . . . . .
C32A C 0.1488(4) 0.3673(3) -0.0104(3) 0.0304(14) Uani 1 1 d . . . . .
H32A H 0.097860 0.377017 -0.027282 0.036 Uiso 1 1 calc R U . . .
C33A C 0.1893(4) 0.3133(4) -0.0270(3) 0.0415(18) Uani 1 1 d . . . . .
H33A H 0.165667 0.285614 -0.054921 0.050 Uiso 1 1 calc R U . . .
C34A C 0.2648(4) 0.2988(4) -0.0033(3) 0.0356(16) Uani 1 1 d . . . . .
H34A H 0.292437 0.261089 -0.014470 0.043 Uiso 1 1 calc R U . . .
C35A C 0.2982(4) 0.3402(4) 0.0364(3) 0.0375(16) Uani 1 1 d . . . . .
H35A H 0.350172 0.332160 0.052095 0.045 Uiso 1 1 calc R U . . .
C36A C 0.2572(4) 0.3932(4) 0.0536(3) 0.0326(15) Uani 1 1 d . . . . .
H36A H 0.280840 0.420548 0.081700 0.039 Uiso 1 1 calc R U . . .
C37A C 0.0708(3) 0.5020(4) 0.1820(2) 0.0220(13) Uani 1 1 d . . . . .
C38A C 0.0072(4) 0.4522(4) 0.1919(3) 0.0404(12) Uani 1 1 d . . . . .
H38A H 0.033186 0.410658 0.209856 0.049 Uiso 1 1 calc R U . . .
C39A C -0.0411(4) 0.4852(4) 0.2274(3) 0.0404(12) Uani 1 1 d . . . . .
H39A H -0.064822 0.527841 0.211926 0.061 Uiso 1 1 calc R U . . .
H39B H -0.008086 0.496294 0.259972 0.061 Uiso 1 1 calc R U . . .
H39C H -0.081476 0.452683 0.233293 0.061 Uiso 1 1 calc R U . . .
C40A C -0.0387(4) 0.4269(4) 0.1414(3) 0.0282(14) Uani 1 1 d . . . . .
C41A C -0.0129(4) 0.3708(4) 0.1170(3) 0.0318(14) Uani 1 1 d . . . . .
H41A H 0.033367 0.348145 0.132032 0.038 Uiso 1 1 calc R U . . .
C42A C -0.0533(5) 0.3468(4) 0.0709(3) 0.0408(17) Uani 1 1 d . . . . .
H42A H -0.034940 0.307623 0.054984 0.049 Uiso 1 1 calc R U . . .
C43A C -0.1194(4) 0.3793(4) 0.0484(3) 0.0418(18) Uani 1 1 d . . . . .
H43A H -0.146579 0.363225 0.016574 0.050 Uiso 1 1 calc R U . . .
C44A C -0.1465(4) 0.4358(4) 0.0723(3) 0.0428(18) Uani 1 1 d . . . . .
H44A H -0.192975 0.458208 0.057206 0.051 Uiso 1 1 calc R U . . .
C45A C -0.1051(4) 0.4598(4) 0.1186(3) 0.0377(16) Uani 1 1 d . . . . .
H45A H -0.123088 0.499208 0.134454 0.045 Uiso 1 1 calc R U . . .
C46A C 0.4261(4) 0.7315(4) 0.0679(2) 0.0252(14) Uani 1 1 d . . . . .
C47A C 0.4861(4) 0.7814(4) 0.0533(2) 0.0293(14) Uani 1 1 d . . . . .
H47A H 0.465512 0.829691 0.054202 0.035 Uiso 1 1 calc R U . . .
C48A C 0.5623(4) 0.7779(5) 0.0898(3) 0.046(2) Uani 1 1 d . . . . .
H48A H 0.579734 0.729591 0.093461 0.070 Uiso 1 1 calc R U . . .
H48B H 0.555647 0.796168 0.123086 0.070 Uiso 1 1 calc R U . . .
H48C H 0.600734 0.805878 0.076295 0.070 Uiso 1 1 calc R U . . .
C49A C 0.4926(3) 0.7642(3) -0.0021(2) 0.0280(13) Uani 1 1 d . . . . .
C50A C 0.4493(4) 0.8013(4) -0.0423(3) 0.0328(15) Uani 1 1 d . . . . .
H50A H 0.415581 0.837045 -0.035061 0.039 Uiso 1 1 calc R U . . .
C51A C 0.4547(4) 0.7867(4) -0.0926(3) 0.0372(16) Uani 1 1 d . . . . .
H51A H 0.425578 0.812963 -0.119498 0.045 Uiso 1 1 calc R U . . .
C52A C 0.5023(4) 0.7343(4) -0.1035(3) 0.0412(18) Uani 1 1 d . . . . .
H52A H 0.506324 0.724333 -0.137922 0.049 Uiso 1 1 calc R U . . .
C53A C 0.5449(4) 0.6955(4) -0.0639(3) 0.0411(18) Uani 1 1 d . . . . .
H53A H 0.577594 0.659121 -0.071429 0.049 Uiso 1 1 calc R U . . .
C54A C 0.5395(4) 0.7101(4) -0.0137(3) 0.0329(14) Uani 1 1 d . . . . .
H54A H 0.567879 0.683113 0.013058 0.039 Uiso 1 1 calc R U . . .
C66A C 0.1083(4) 0.7397(4) 0.2315(3) 0.0323(15) Uani 1 1 d . . . . .
H66A H 0.108142 0.754553 0.197406 0.039 Uiso 1 1 calc R U . . .
C65A C 0.0806(5) 0.7859(4) 0.2649(3) 0.0433(19) Uani 1 1 d . . . . .
H65A H 0.062517 0.830806 0.253876 0.052 Uiso 1 1 calc R U . . .
C64A C 0.0803(4) 0.7648(4) 0.3133(3) 0.0405(18) Uani 1 1 d . . . . .
H64A H 0.061305 0.795012 0.336466 0.049 Uiso 1 1 calc R U . . .
C63A C 0.1076(4) 0.6991(4) 0.3295(2) 0.0261(13) Uani 1 1 d . . . . .
C62A C 0.1103(4) 0.6741(4) 0.3803(2) 0.0325(15) Uani 1 1 d . . . . .
H62A H 0.090640 0.702633 0.404164 0.039 Uiso 1 1 calc R U . . .
C61A C 0.1397(4) 0.6118(4) 0.3953(2) 0.0311(16) Uani 1 1 d . . . . .
H61A H 0.140595 0.596774 0.429336 0.037 Uiso 1 1 calc R U . . .
C58A C 0.1697(3) 0.5679(3) 0.3600(2) 0.0240(13) Uani 1 1 d . . . . .
C57A C 0.2028(4) 0.5030(3) 0.3735(2) 0.0279(14) Uani 1 1 d . . . . .
H57A H 0.204390 0.485603 0.407090 0.034 Uiso 1 1 calc R U . . .
C56A C 0.2329(4) 0.4645(3) 0.3386(2) 0.0262(13) Uani 1 1 d . . . . .
H56A H 0.255614 0.420500 0.347799 0.031 Uiso 1 1 calc R U . . .
C55A C 0.2301(3) 0.4900(3) 0.2893(2) 0.0212(12) Uani 1 1 d . . . . .
H55A H 0.251601 0.462882 0.265400 0.025 Uiso 1 1 calc R U . . .
C59A C 0.1684(3) 0.5892(3) 0.3090(2) 0.0192(12) Uani 1 1 d . . . . .
C60A C 0.1351(3) 0.6565(3) 0.2931(2) 0.0209(12) Uani 1 1 d . . . . .
C67A C 0.4169(4) 0.5006(3) 0.0276(2) 0.0277(10) Uani 1 1 d . . . . .
H67A H 0.421813 0.488155 0.062584 0.033 Uiso 1 1 calc R U . . .
C68A C 0.4517(4) 0.4576(4) -0.0046(3) 0.0335(11) Uani 1 1 d . . . . .
H68A H 0.478556 0.416742 0.008188 0.040 Uiso 1 1 calc R U . . .
C69A C 0.4459(5) 0.4757(4) -0.0546(3) 0.0387(18) Uani 1 1 d . . . . .
H69A H 0.470277 0.448125 -0.076811 0.046 Uiso 1 1 calc R U . . .
C70A C 0.4042(3) 0.5349(3) -0.0732(2) 0.0213(12) Uani 1 1 d . . . . .
C73A C 0.3938(3) 0.5553(3) -0.1254(2) 0.0240(13) Uani 1 1 d . . . . .
H73A H 0.417094 0.528681 -0.148667 0.029 Uiso 1 1 calc R U . . .
C74A C 0.3517(3) 0.6114(3) -0.1423(2) 0.0203(12) Uani 1 1 d . . . . .
H74A H 0.344117 0.622995 -0.177470 0.024 Uiso 1 1 calc R U . . .
C75A C 0.3181(3) 0.6540(3) -0.1076(2) 0.0186(11) Uani 1 1 d . . . . .
C76A C 0.2754(3) 0.7139(3) -0.1238(2) 0.0215(12) Uani 1 1 d . . . . .
H76A H 0.268506 0.728009 -0.158531 0.026 Uiso 1 1 calc R U . . .
C77A C 0.2435(4) 0.7522(4) -0.0890(3) 0.0335(11) Uani 1 1 d . . . . .
H77A H 0.215039 0.793299 -0.099132 0.040 Uiso 1 1 calc R U . . .
C78A C 0.2540(4) 0.7292(3) -0.0383(2) 0.0277(10) Uani 1 1 d . . . . .
H78A H 0.231040 0.755349 -0.014634 0.033 Uiso 1 1 calc R U . . .
C72A C 0.3264(3) 0.6351(3) -0.05597(18) 0.0152(9) Uani 1 1 d . . . . .
C71A C 0.3699(3) 0.5749(3) -0.0379(2) 0.0201(12) Uani 1 1 d . . . . .
Tb1B Tb 0.80273(2) 0.08468(8) 0.31384(2) 0.01635(7) Uani 1 1 d . . . . .
Tb2B Tb 0.70644(2) 0.13580(8) 0.42905(2) 0.01503(5) Uani 1 1 d . . . . .
O1B O 0.6970(2) 0.0134(2) 0.31751(16) 0.0220(9) Uani 1 1 d . . . . .
O2B O 0.6453(2) 0.0374(2) 0.38636(15) 0.0211(9) Uani 1 1 d . . . . .
O3B O 0.6959(2) 0.1547(2) 0.34226(14) 0.0179(8) Uani 1 1 d . . . . .
O4B O 0.7034(2) 0.1573(2) 0.26119(14) 0.0209(9) Uani 1 1 d . . . . .
O5B O 0.8577(2) 0.1856(2) 0.35245(15) 0.0196(8) Uani 1 1 d . . . . .
O6B O 0.8127(2) 0.2069(2) 0.42426(16) 0.0198(9) Uani 1 1 d . . . . .
O7B O 0.8128(2) 0.0634(2) 0.40140(15) 0.0182(9) Uani 1 1 d . . . . .
O8B O 0.8095(2) 0.0745(2) 0.48283(15) 0.0231(9) Uani 1 1 d . . . . .
O9B O 0.8629(3) -0.0334(2) 0.32516(17) 0.0258(10) Uani 1 1 d . . . . .
O10B O 0.9398(2) 0.0563(2) 0.32649(18) 0.0276(10) Uani 1 1 d . . . . .
O11B O 0.6572(2) 0.2587(2) 0.41692(16) 0.0218(9) Uani 1 1 d D . . . .
O12B O 0.5776(2) 0.1792(2) 0.43541(16) 0.0244(9) Uani 1 1 d D . . . .
N1B N 0.7862(3) 0.0188(3) 0.2276(2) 0.0253(11) Uani 1 1 d . . . . .
N2B N 0.8614(2) 0.1424(3) 0.24088(17) 0.0222(10) Uani 1 1 d . . . . .
N3B N 0.6552(3) 0.0659(3) 0.49877(17) 0.0187(10) Uani 1 1 d . . . . .
N4B N 0.7174(3) 0.1953(3) 0.51601(18) 0.0177(10) Uani 1 1 d . . . . .
C1B C 0.6440(3) 0.0099(3) 0.3432(2) 0.0175(11) Uani 1 1 d . . . . .
C2B C 0.5686(3) -0.0262(3) 0.3190(2) 0.0183(11) Uani 1 1 d . . . . .
H2B H 0.527596 0.010364 0.315004 0.022 Uiso 1 1 calc R U . . .
C3B C 0.5702(4) -0.0541(3) 0.2659(2) 0.0272(13) Uani 1 1 d . . . . .
H3BA H 0.518634 -0.070413 0.250612 0.041 Uiso 1 1 calc R U . . .
H3BB H 0.606805 -0.092812 0.268002 0.041 Uiso 1 1 calc R U . . .
H3BC H 0.586290 -0.017142 0.244661 0.041 Uiso 1 1 calc R U . . .
C4B C 0.5436(3) -0.0821(3) 0.3536(2) 0.0207(12) Uani 1 1 d . . . . .
C5B C 0.4914(4) -0.0665(4) 0.3854(2) 0.0315(15) Uani 1 1 d . . . . .
H5B H 0.474141 -0.020038 0.387541 0.038 Uiso 1 1 calc R U . . .
C6B C 0.4638(5) -0.1180(5) 0.4142(3) 0.045(2) Uani 1 1 d . . . . .
H6B H 0.427587 -0.106111 0.435421 0.054 Uiso 1 1 calc R U . . .
C7B C 0.4882(5) -0.1862(4) 0.4125(3) 0.0439(19) Uani 1 1 d . . . . .
H7B H 0.468950 -0.221144 0.432128 0.053 Uiso 1 1 calc R U . . .
C8B C 0.5408(5) -0.2020(4) 0.3820(3) 0.0454(19) Uani 1 1 d . . . . .
H8B H 0.559080 -0.248320 0.380963 0.055 Uiso 1 1 calc R U . . .
C9B C 0.5682(4) -0.1505(3) 0.3521(3) 0.0366(16) Uani 1 1 d . . . . .
H9B H 0.603868 -0.162750 0.330565 0.044 Uiso 1 1 calc R U . . .
C10B C 0.6697(3) 0.1745(3) 0.2965(2) 0.0166(11) Uani 1 1 d . . . . .
C11B C 0.5951(3) 0.2165(3) 0.2874(2) 0.0193(11) Uani 1 1 d . . . . .
H11B H 0.591528 0.242922 0.319203 0.023 Uiso 1 1 calc R U . . .
C12B C 0.5936(3) 0.2684(3) 0.2440(2) 0.0276(13) Uani 1 1 d . . . . .
H12D H 0.599541 0.243666 0.212774 0.041 Uiso 1 1 calc R U . . .
H12E H 0.635878 0.301720 0.252854 0.041 Uiso 1 1 calc R U . . .
H12F H 0.544251 0.293326 0.238475 0.041 Uiso 1 1 calc R U . . .
C13B C 0.5269(3) 0.1654(3) 0.2772(2) 0.0199(11) Uani 1 1 d . . . . .
C14B C 0.5132(3) 0.1250(3) 0.2340(2) 0.0245(12) Uani 1 1 d . . . . .
H14B H 0.547208 0.128385 0.210006 0.029 Uiso 1 1 calc R U . . .
C15B C 0.4516(3) 0.0797(4) 0.2243(3) 0.0315(14) Uani 1 1 d . . . . .
H15B H 0.443829 0.051853 0.194386 0.038 Uiso 1 1 calc R U . . .
C16B C 0.4011(3) 0.0756(4) 0.2590(3) 0.0374(16) Uani 1 1 d . . . . .
H16B H 0.357625 0.045723 0.252291 0.045 Uiso 1 1 calc R U . . .
C17B C 0.4140(3) 0.1148(4) 0.3031(3) 0.0341(15) Uani 1 1 d . . . . .
H17B H 0.379957 0.111051 0.327036 0.041 Uiso 1 1 calc R U . . .
C18B C 0.8619(3) 0.2120(3) 0.3958(2) 0.0170(11) Uani 1 1 d . . . . .
C19B C 0.4766(3) 0.1596(3) 0.3125(2) 0.0263(13) Uani 1 1 d . . . . .
H19B H 0.485457 0.186489 0.342881 0.032 Uiso 1 1 calc R U . . .
C20B C 0.9359(3) 0.2511(3) 0.4183(2) 0.0250(13) Uani 1 1 d . . . . .
H20B H 0.920556 0.291148 0.438304 0.030 Uiso 1 1 calc R U . . .
C21B C 0.9835(4) 0.2013(4) 0.4564(3) 0.0353(15) Uani 1 1 d . . . . .
H21D H 0.996347 0.159689 0.438447 0.053 Uiso 1 1 calc R U . . .
H21E H 0.953322 0.187972 0.482588 0.053 Uiso 1 1 calc R U . . .
H21F H 1.031033 0.224423 0.472607 0.053 Uiso 1 1 calc R U . . .
C22B C 0.9823(3) 0.2803(3) 0.3804(3) 0.0286(14) Uani 1 1 d . . . . .
C23B C 0.9867(4) 0.3515(4) 0.3749(3) 0.047(2) Uani 1 1 d . . . . .
H23B H 0.958067 0.380777 0.393481 0.057 Uiso 1 1 calc R U . . .
C24B C 1.0327(5) 0.3814(5) 0.3424(4) 0.059(3) Uani 1 1 d . . . . .
H24B H 1.035909 0.430487 0.339554 0.071 Uiso 1 1 calc R U . . .
C25B C 1.0725(5) 0.3395(5) 0.3153(3) 0.058(3) Uani 1 1 d . . . . .
H25B H 1.103846 0.359603 0.293507 0.070 Uiso 1 1 calc R U . . .
C26B C 1.0681(4) 0.2675(5) 0.3187(3) 0.048(2) Uani 1 1 d . . . . .
H26B H 1.094977 0.238503 0.298785 0.057 Uiso 1 1 calc R U . . .
C27B C 1.0232(4) 0.2384(4) 0.3522(3) 0.0347(16) Uani 1 1 d . . . . .
H27B H 1.020899 0.189313 0.355452 0.042 Uiso 1 1 calc R U . . .
C28B C 0.8372(3) 0.0458(3) 0.4474(2) 0.0193(12) Uani 1 1 d . . . . .
C29B C 0.8945(3) -0.0139(3) 0.4605(2) 0.0251(13) Uani 1 1 d . . . . .
H29B H 0.916551 -0.025730 0.429366 0.030 Uiso 1 1 calc R U . . .
C30B C 0.9599(4) 0.0091(4) 0.5022(3) 0.0405(17) Uani 1 1 d . . . . .
H30D H 0.996151 -0.029460 0.510967 0.061 Uiso 1 1 calc R U . . .
H30E H 0.938888 0.022971 0.532413 0.061 Uiso 1 1 calc R U . . .
H30F H 0.986910 0.048558 0.490052 0.061 Uiso 1 1 calc R U . . .
C31B C 0.8474(4) -0.0755(3) 0.4737(2) 0.0252(13) Uani 1 1 d . . . . .
C32B C 0.8600(4) -0.1058(4) 0.5220(3) 0.0361(16) Uani 1 1 d . . . . .
H32B H 0.900287 -0.088531 0.547345 0.043 Uiso 1 1 calc R U . . .
C33B C 0.8154(5) -0.1603(4) 0.5340(3) 0.049(2) Uani 1 1 d . . . . .
H33B H 0.825116 -0.180214 0.567152 0.059 Uiso 1 1 calc R U . . .
C34B C 0.7571(5) -0.1856(4) 0.4977(4) 0.050(2) Uani 1 1 d . . . . .
H34B H 0.725078 -0.222190 0.505899 0.060 Uiso 1 1 calc R U . . .
C35B C 0.7451(5) -0.1576(4) 0.4491(3) 0.0464(19) Uani 1 1 d . . . . .
H35B H 0.705753 -0.176010 0.423653 0.056 Uiso 1 1 calc R U . . .
C36B C 0.7901(4) -0.1026(4) 0.4373(3) 0.0351(16) Uani 1 1 d . . . . .
H36B H 0.781280 -0.083642 0.403886 0.042 Uiso 1 1 calc R U . . .
C37B C 0.9299(3) -0.0086(3) 0.3256(2) 0.0222(13) Uani 1 1 d . . . . .
C39B C 1.0543(4) -0.0252(4) 0.2942(3) 0.0430(19) Uani 1 1 d . . . . .
H39D H 1.100695 -0.054054 0.297234 0.064 Uiso 1 1 calc R U . . .
H39E H 1.068438 0.021591 0.306951 0.064 Uiso 1 1 calc R U . . .
H39F H 1.029528 -0.022562 0.258332 0.064 Uiso 1 1 calc R U . . .
C38B C 0.9982(4) -0.0574(4) 0.3255(3) 0.0411(19) Uani 1 1 d . . . . .
H38B H 0.978170 -0.101675 0.308532 0.049 Uiso 1 1 calc R U . . .
C40B C 1.0351(5) -0.0744(4) 0.3806(3) 0.044(2) Uani 1 1 d . . . . .
C41B C 1.0945(4) -0.0360(5) 0.4067(4) 0.054(2) Uani 1 1 d . . . . .
H41B H 1.112676 0.003426 0.390828 0.065 Uiso 1 1 calc R U . . .
C42B C 1.1287(6) -0.0538(5) 0.4562(4) 0.0689(19) Uani 1 1 d . . . . .
H42B H 1.169499 -0.026100 0.473846 0.083 Uiso 1 1 calc R U . . .
C43B C 1.1041(6) -0.1106(5) 0.4796(4) 0.0689(19) Uani 1 1 d . . . . .
H43B H 1.128438 -0.123483 0.513006 0.083 Uiso 1 1 calc R U . . .
C44B C 1.0449(6) -0.1478(5) 0.4546(4) 0.0689(19) Uani 1 1 d . . . . .
H44B H 1.027014 -0.186855 0.470984 0.083 Uiso 1 1 calc R U . . .
C45B C 1.0092(6) -0.1313(4) 0.4057(4) 0.056(2) Uani 1 1 d . . . . .
H45B H 0.967193 -0.158404 0.389142 0.067 Uiso 1 1 calc R U . . .
C46B C 0.5956(3) 0.2431(3) 0.4322(2) 0.0178(11) Uani 1 1 d . . . . .
C47B C 0.5426(3) 0.2986(3) 0.4478(2) 0.0235(12) Uani 1 1 d . . . . .
H47B H 0.528527 0.284332 0.481111 0.028 Uiso 1 1 calc R U . . .
C48B C 0.5835(4) 0.3691(3) 0.4554(3) 0.0335(15) Uani 1 1 d . . . . .
H48D H 0.599781 0.383320 0.423561 0.050 Uiso 1 1 calc R U . . .
H48E H 0.628892 0.365174 0.482387 0.050 Uiso 1 1 calc R U . . .
H48F H 0.548136 0.403882 0.465173 0.050 Uiso 1 1 calc R U . . .
C49B C 0.4686(3) 0.3007(3) 0.4082(2) 0.0231(12) Uani 1 1 d . . . . .
C50B C 0.4677(4) 0.3308(3) 0.3606(3) 0.0314(14) Uani 1 1 d . . . . .
H50B H 0.512446 0.352964 0.352854 0.038 Uiso 1 1 calc R U . . .
C51B C 0.3998(5) 0.3279(4) 0.3242(3) 0.0444(19) Uani 1 1 d . . . . .
H51B H 0.398622 0.348068 0.291532 0.053 Uiso 1 1 calc R U . . .
C52B C 0.3346(4) 0.2959(4) 0.3356(4) 0.052(2) Uani 1 1 d . . . . .
H52B H 0.288862 0.293928 0.310808 0.062 Uiso 1 1 calc R U . . .
C53B C 0.3359(4) 0.2668(4) 0.3830(4) 0.048(2) Uani 1 1 d . . . . .
H53B H 0.291073 0.244962 0.390886 0.057 Uiso 1 1 calc R U . . .
C54B C 0.4024(4) 0.2693(3) 0.4188(3) 0.0369(16) Uani 1 1 d . . . . .
H54B H 0.402828 0.249100 0.451424 0.044 Uiso 1 1 calc R U . . .
C55B C 0.7497(4) -0.0410(4) 0.2213(3) 0.0373(17) Uani 1 1 d . . . . .
H55B H 0.728947 -0.059194 0.249134 0.045 Uiso 1 1 calc R U . . .
C56B C 0.7396(4) -0.0797(4) 0.1757(3) 0.0421(19) Uani 1 1 d . . . . .
H56B H 0.713150 -0.122937 0.173138 0.050 Uiso 1 1 calc R U . . .
C57B C 0.7688(4) -0.0533(4) 0.1353(3) 0.0371(17) Uani 1 1 d . . . . .
H57B H 0.762091 -0.077868 0.103922 0.045 Uiso 1 1 calc R U . . .
C58B C 0.8082(3) 0.0090(4) 0.1404(2) 0.0291(15) Uani 1 1 d . . . . .
C59B C 0.8164(3) 0.0442(3) 0.1880(2) 0.0244(13) Uani 1 1 d . . . . .
C60B C 0.8566(4) 0.1085(4) 0.1947(2) 0.0301(10) Uani 1 1 d . . . . .
C61B C 0.8401(4) 0.0405(4) 0.0999(2) 0.0301(10) Uani 1 1 d . . . . .
H61B H 0.833293 0.018303 0.067615 0.036 Uiso 1 1 calc R U . . .
C62B C 0.8795(4) 0.1008(4) 0.1064(2) 0.0332(16) Uani 1 1 d . . . . .
H62B H 0.900658 0.119770 0.078922 0.040 Uiso 1 1 calc R U . . .
C63B C 0.8899(3) 0.1369(4) 0.1545(2) 0.0298(13) Uani 1 1 d . . . . .
C64B C 0.9278(4) 0.2001(4) 0.1632(3) 0.0374(16) Uani 1 1 d . . . . .
H64B H 0.950803 0.220098 0.136814 0.045 Uiso 1 1 calc R U . . .
C65B C 0.9329(4) 0.2343(4) 0.2086(3) 0.0395(17) Uani 1 1 d . . . . .
H65B H 0.959523 0.277288 0.214509 0.047 Uiso 1 1 calc R U . . .
C66B C 0.8968(4) 0.2029(4) 0.2463(3) 0.0304(14) Uani 1 1 d . . . . .
H66B H 0.898238 0.227026 0.277607 0.036 Uiso 1 1 calc R U . . .
C67B C 0.6308(3) 0.0007(3) 0.4922(2) 0.0245(12) Uani 1 1 d . . . . .
H67B H 0.632439 -0.020970 0.460333 0.029 Uiso 1 1 calc R U . . .
C68B C 0.6025(3) -0.0380(3) 0.5301(3) 0.0288(14) Uani 1 1 d . . . . .
H68B H 0.587013 -0.084985 0.524204 0.035 Uiso 1 1 calc R U . . .
C69B C 0.5981(3) -0.0062(4) 0.5754(3) 0.0290(14) Uani 1 1 d . . . . .
H69B H 0.577776 -0.030744 0.601051 0.035 Uiso 1 1 calc R U . . .
C70B C 0.6236(3) 0.0629(3) 0.5841(2) 0.0248(13) Uani 1 1 d . . . . .
C71B C 0.6540(3) 0.0968(3) 0.5446(2) 0.0204(12) Uani 1 1 d . . . . .
C72B C 0.6860(3) 0.1648(3) 0.5533(2) 0.0208(12) Uani 1 1 d . . . . .
C73B C 0.6254(4) 0.0972(4) 0.6321(2) 0.0312(15) Uani 1 1 d . . . . .
H73B H 0.605869 0.074072 0.658725 0.037 Uiso 1 1 calc R U . . .
C74B C 0.6541(4) 0.1613(4) 0.6400(2) 0.0321(16) Uani 1 1 d . . . . .
H74B H 0.653216 0.183460 0.671723 0.039 Uiso 1 1 calc R U . . .
C75B C 0.6864(3) 0.1975(3) 0.6014(2) 0.0256(13) Uani 1 1 d . . . . .
C76B C 0.7191(4) 0.2640(4) 0.6085(3) 0.0311(15) Uani 1 1 d . . . . .
H76B H 0.718485 0.288249 0.639481 0.037 Uiso 1 1 calc R U . . .
C77B C 0.7518(4) 0.2940(4) 0.5711(2) 0.0283(14) Uani 1 1 d . . . . .
H77B H 0.775116 0.338541 0.576048 0.034 Uiso 1 1 calc R U . . .
C78B C 0.7503(4) 0.2579(3) 0.5250(2) 0.0235(13) Uani 1 1 d . . . . .
H78B H 0.773589 0.278733 0.499116 0.028 Uiso 1 1 calc R U . . .
O1L O 0.1753(3) 0.3522(3) 0.1618(2) 0.0511(15) Uani 1 1 d D . . . .
H1OL H 0.168(4) 0.3899(15) 0.1724(19) 0.077 Uiso 1 1 d D U . . .
O2L O 0.2792(4) 0.3557(3) 0.2191(3) 0.082(3) Uani 1 1 d . . . . .
C1L C 0.2412(4) 0.3281(3) 0.1846(3) 0.0304(14) Uani 1 1 d . . . . .
C2L C 0.2625(4) 0.2603(3) 0.1601(3) 0.0333(15) Uani 1 1 d . . . . .
H2L H 0.261159 0.269517 0.122986 0.040 Uiso 1 1 calc R U . . .
C3L C 0.3444(4) 0.2387(4) 0.1832(3) 0.047(2) Uani 1 1 d . . . . .
H3LA H 0.357757 0.195856 0.166745 0.071 Uiso 1 1 calc R U . . .
H3LB H 0.347723 0.230578 0.219797 0.071 Uiso 1 1 calc R U . . .
H3LC H 0.380438 0.275596 0.177741 0.071 Uiso 1 1 calc R U . . .
C4L C 0.2024(3) 0.2049(3) 0.1646(3) 0.0297(14) Uani 1 1 d . . . . .
C5L C 0.1999(4) 0.1732(4) 0.2111(3) 0.0444(18) Uani 1 1 d . . . . .
H5L H 0.235556 0.186358 0.240564 0.053 Uiso 1 1 calc R U . . .
C6L C 0.1455(4) 0.1224(4) 0.2145(4) 0.057(2) Uani 1 1 d . . . . .
H6L H 0.143180 0.101592 0.246557 0.068 Uiso 1 1 calc R U . . .
C7L C 0.0942(5) 0.1015(5) 0.1716(4) 0.063(3) Uani 1 1 d . . . . .
H7L H 0.057264 0.066337 0.174190 0.075 Uiso 1 1 calc R U . . .
C8L C 0.0972(4) 0.1316(5) 0.1259(4) 0.065(2) Uani 1 1 d . . . . .
H8L H 0.062652 0.116813 0.096410 0.078 Uiso 1 1 calc R U . . .
C9L C 0.1512(4) 0.1849(4) 0.1217(3) 0.049(2) Uani 1 1 d . . . . .
H9L H 0.152274 0.206641 0.089751 0.059 Uiso 1 1 calc R U . . .
O3L O 0.2826(3) -0.1289(3) 0.0571(2) 0.0485(15) Uani 1 1 d D . . . .
H3OL H 0.309(3) -0.1627(16) 0.059(4) 0.073 Uiso 1 1 d D U . . .
O4L O 0.3898(3) -0.0782(3) 0.0987(2) 0.0496(14) Uani 1 1 d . . . . .
C10L C 0.3218(5) -0.0750(4) 0.0789(3) 0.0448(19) Uani 1 1 d . . . . .
C11L C 0.2751(5) -0.0088(5) 0.0748(4) 0.063(2) Uani 1 1 d . U . . .
H11L H 0.220807 -0.022176 0.076733 0.075 Uiso 1 1 calc R U . D 1
C12L C 0.3033(5) 0.0389(5) 0.1203(4) 0.072(3) Uani 1 1 d . . . . .
H12G H 0.354524 0.056934 0.117838 0.107 Uiso 1 1 calc R U . . .
H12H H 0.306019 0.012572 0.152093 0.107 Uiso 1 1 calc R U . . .
H12I H 0.267204 0.077728 0.120189 0.107 Uiso 1 1 calc R U . . .
C13L C 0.2731(11) 0.0289(8) 0.0270(7) 0.077(3) Uani 0.5 1 d G U P E 1
C14L C 0.3350(9) 0.0288(7) 0.0010(7) 0.077(3) Uani 0.5 1 d G . P E 1
H14L H 0.379279 0.001349 0.013122 0.092 Uiso 0.5 1 calc R U P E 1
C15L C 0.3323(7) 0.0688(8) -0.0427(7) 0.077(3) Uani 0.5 1 d G . P E 1
H15L H 0.374628 0.068743 -0.060466 0.092 Uiso 0.5 1 calc R U P E 1
C16L C 0.2675(8) 0.1090(7) -0.0604(6) 0.077(3) Uani 0.5 1 d G . P E 1
H16L H 0.265661 0.136327 -0.090267 0.092 Uiso 0.5 1 calc R U P E 1
C17L C 0.2056(7) 0.1091(8) -0.0344(7) 0.077(3) Uani 0.5 1 d G . P E 1
H17L H 0.161344 0.136519 -0.046481 0.092 Uiso 0.5 1 calc R U P E 1
C18L C 0.2083(9) 0.0690(9) 0.0093(7) 0.077(3) Uani 0.5 1 d G . P E 1
H18L H 0.165994 0.069125 0.027107 0.092 Uiso 0.5 1 calc R U P E 1
C13K C 0.2889(13) 0.0304(9) 0.0218(6) 0.089(4) Uani 0.5 1 d G U P E 2
C14K C 0.3492(12) 0.0124(8) -0.0031(7) 0.089(4) Uani 0.5 1 d G . P E 2
H14K H 0.385854 -0.021469 0.011280 0.106 Uiso 0.5 1 calc R U P E 2
C15K C 0.3558(9) 0.0438(8) -0.0491(7) 0.089(4) Uani 0.5 1 d G . P E 2
H15K H 0.397047 0.031497 -0.066180 0.106 Uiso 0.5 1 calc R U P E 2
C16K C 0.3022(10) 0.0934(8) -0.0702(6) 0.089(4) Uani 0.5 1 d G . P E 2
H16K H 0.306759 0.114861 -0.101683 0.106 Uiso 0.5 1 calc R U P E 2
C17K C 0.2419(9) 0.1114(8) -0.0453(7) 0.089(4) Uani 0.5 1 d G . P E 2
H17K H 0.205276 0.145261 -0.059727 0.106 Uiso 0.5 1 calc R U P E 2
C18K C 0.2353(10) 0.0800(9) 0.0007(7) 0.089(4) Uani 0.5 1 d G . P E 2
H18K H 0.194082 0.092296 0.017733 0.106 Uiso 0.5 1 calc R U P E 2
O5L O 0.1387(4) 0.3311(4) 0.6728(4) 0.036(2) Uani 0.576(5) 1 d D . P F 1
H5OL H 0.140(8) 0.3725(4) 0.671(5) 0.053 Uiso 0.576(5) 1 d D U P F 1
O6L O 0.2671(5) 0.3311(4) 0.6899(3) 0.033(2) Uani 0.576(5) 1 d . . P F 1
C19L C 0.2075(7) 0.2997(5) 0.6817(5) 0.032(3) Uani 0.576(5) 1 d D . P F 1
C20L C 0.1998(8) 0.2203(5) 0.6799(7) 0.047(3) Uani 0.576(5) 1 d D U P F 1
H20L H 0.154181 0.207836 0.653578 0.056 Uiso 0.576(5) 1 calc R U P F 1
C21L C 0.2695(10) 0.1885(9) 0.6652(11) 0.104(7) Uani 0.576(5) 1 d . . P F 1
H21G H 0.274704 0.204233 0.630948 0.156 Uiso 0.576(5) 1 calc R U P F 1
H21H H 0.264634 0.137759 0.665275 0.156 Uiso 0.576(5) 1 calc R U P F 1
H21I H 0.315229 0.202409 0.689559 0.156 Uiso 0.576(5) 1 calc R U P F 1
C22L C 0.1815(12) 0.2001(11) 0.7341(10) 0.077(3) Uani 0.576(5) 1 d . U P F 1
C23L C 0.2297(11) 0.2134(10) 0.7798(8) 0.077(3) Uani 0.576(5) 1 d . . P F 1
H23L H 0.277999 0.233847 0.777187 0.092 Uiso 0.576(5) 1 calc R U P F 1
C24L C 0.2179(10) 0.2017(9) 0.8261(9) 0.077(3) Uani 0.576(5) 1 d . . P F 1
H24L H 0.253834 0.215639 0.855224 0.092 Uiso 0.576(5) 1 calc R U P F 1
C25L C 0.1498(10) 0.1679(9) 0.8305(8) 0.077(3) Uani 0.576(5) 1 d . . P F 1
H25L H 0.141234 0.150404 0.862390 0.092 Uiso 0.576(5) 1 calc R U P F 1
C26L C 0.0952(10) 0.1605(9) 0.7874(8) 0.077(3) Uani 0.576(5) 1 d . . P F 1
H26L H 0.045347 0.144081 0.790534 0.092 Uiso 0.576(5) 1 calc R U P F 1
C27L C 0.1108(10) 0.1762(9) 0.7397(8) 0.077(3) Uani 0.576(5) 1 d . . P F 1
H27L H 0.071828 0.170218 0.710494 0.092 Uiso 0.576(5) 1 calc R U P F 1
O5K O 0.2091(8) 0.3473(6) 0.6945(5) 0.040(3) Uani 0.424(5) 1 d D . P F 2
H5OK H 0.199(11) 0.387(3) 0.688(8) 0.060 Uiso 0.424(5) 1 d D U P F 2
O6K O 0.1355(10) 0.3266(8) 0.7554(6) 0.067(4) Uani 0.424(5) 1 d . . P F 2
C19K C 0.1825(15) 0.3080(10) 0.7281(9) 0.059(6) Uani 0.424(5) 1 d . . P F 2
C20K C 0.2085(16) 0.2295(13) 0.7273(9) 0.067(7) Uani 0.424(5) 1 d D . P F 2
H20K H 0.257894 0.239355 0.714928 0.080 Uiso 0.424(5) 1 calc R U P F 2
C21K C 0.2412(14) 0.1702(12) 0.7635(11) 0.104(7) Uani 0.424(5) 1 d D . P F 2
H21J H 0.267418 0.189848 0.795863 0.156 Uiso 0.424(5) 1 calc R U P F 2
H21K H 0.198930 0.140124 0.769834 0.156 Uiso 0.424(5) 1 calc R U P F 2
H21L H 0.277958 0.142981 0.747920 0.156 Uiso 0.424(5) 1 calc R U P F 2
C22K C 0.1718(9) 0.1987(8) 0.6819(6) 0.085(4) Uani 0.424(5) 1 d G . P F 2
C23K C 0.1905(8) 0.2092(7) 0.6339(8) 0.085(4) Uani 0.424(5) 1 d G . P F 2
H23K H 0.234189 0.236477 0.630228 0.102 Uiso 0.424(5) 1 calc R U P F 2
C24K C 0.1454(9) 0.1797(8) 0.5912(6) 0.085(4) Uani 0.424(5) 1 d G . P F 2
H24K H 0.158186 0.186937 0.558367 0.102 Uiso 0.424(5) 1 calc R U P F 2
C25K C 0.0815(9) 0.1398(8) 0.5965(6) 0.085(4) Uani 0.424(5) 1 d G . P F 2
H25K H 0.050645 0.119681 0.567352 0.102 Uiso 0.424(5) 1 calc R U P F 2
C26K C 0.0628(7) 0.1293(7) 0.6446(7) 0.085(4) Uani 0.424(5) 1 d G . P F 2
H26K H 0.019105 0.101966 0.648198 0.102 Uiso 0.424(5) 1 calc R U P F 2
C27K C 0.1079(10) 0.1587(9) 0.6872(6) 0.085(4) Uani 0.424(5) 1 d G . P F 2
H27K H 0.095107 0.151507 0.720060 0.102 Uiso 0.424(5) 1 calc R U P F 2
O7L O 0.6859(3) 0.36122(16) 0.35602(17) 0.0532(15) Uani 1 1 d D . . . .
H7OL H 0.6782(9) 0.3301(3) 0.3744(3) 0.080 Uiso 1 1 d D U . . .
O8L O 0.7983(4) 0.3840(4) 0.4040(3) 0.085(3) Uani 1 1 d . . . . .
C28L C 0.7495(5) 0.3982(4) 0.3681(3) 0.0444(18) Uani 1 1 d . . . . .
C29L C 0.7523(5) 0.4600(4) 0.3325(3) 0.0449(19) Uani 1 1 d . . . . .
H29L H 0.708368 0.491247 0.336316 0.054 Uiso 1 1 calc R U . . .
C30L C 0.8270(7) 0.5019(5) 0.3483(4) 0.082(4) Uani 1 1 d . . . . .
H30G H 0.871626 0.471829 0.347328 0.124 Uiso 1 1 calc R U . . .
H30H H 0.829081 0.519821 0.382950 0.124 Uiso 1 1 calc R U . . .
H30I H 0.827881 0.540844 0.324684 0.124 Uiso 1 1 calc R U . . .
C31L C 0.7417(4) 0.4387(4) 0.2769(3) 0.0340(15) Uani 1 1 d . . . . .
C32L C 0.7819(4) 0.3841(4) 0.2612(3) 0.0361(16) Uani 1 1 d . . . . .
H32L H 0.814425 0.356869 0.285852 0.043 Uiso 1 1 calc R U . . .
C33L C 0.7757(4) 0.3681(4) 0.2096(3) 0.0463(19) Uani 1 1 d . . . . .
H33L H 0.804455 0.330591 0.199206 0.056 Uiso 1 1 calc R U . . .
C34L C 0.7286(4) 0.4062(5) 0.1741(3) 0.050(2) Uani 1 1 d . . . . .
H34L H 0.724707 0.395210 0.138956 0.061 Uiso 1 1 calc R U . . .
C35L C 0.6867(5) 0.4604(5) 0.1886(3) 0.059(2) Uani 1 1 d . . . . .
H35L H 0.653189 0.486448 0.163764 0.071 Uiso 1 1 calc R U . . .
C36L C 0.6936(5) 0.4770(5) 0.2402(3) 0.052(2) Uani 1 1 d . . . . .
H36L H 0.665196 0.514924 0.250356 0.063 Uiso 1 1 calc R U . . .
O9L O 0.4673(2) 0.0959(2) 0.4549(2) 0.0358(11) Uani 1 1 d D . . . .
H9OL H 0.499(2) 0.124(2) 0.450(3) 0.054 Uiso 1 1 d D U . . .
O10L O 0.4474(3) 0.1544(3) 0.5244(2) 0.0489(13) Uani 1 1 d . . . . .
C37L C 0.4317(4) 0.1077(4) 0.4940(3) 0.0348(15) Uani 1 1 d . . . . .
C38L C 0.3662(4) 0.0550(3) 0.4944(3) 0.0359(15) Uani 1 1 d . . . . .
H38L H 0.384967 0.008412 0.485201 0.043 Uiso 1 1 calc R U . . .
C39L C 0.3436(5) 0.0493(5) 0.5466(3) 0.057(2) Uani 1 1 d . . . . .
H39G H 0.298466 0.018920 0.544651 0.086 Uiso 1 1 calc R U . . .
H39H H 0.331037 0.095499 0.558232 0.086 Uiso 1 1 calc R U . . .
H39I H 0.386627 0.029685 0.570736 0.086 Uiso 1 1 calc R U . . .
C40L C 0.3011(3) 0.0770(3) 0.4523(3) 0.0302(13) Uani 1 1 d . . . . .
C41L C 0.2439(4) 0.1244(4) 0.4604(3) 0.0379(15) Uani 1 1 d . . . . .
H41L H 0.243920 0.142000 0.493761 0.046 Uiso 1 1 calc R U . . .
C42L C 0.1879(4) 0.1457(4) 0.4208(3) 0.0451(18) Uani 1 1 d . . . . .
H42L H 0.149509 0.177490 0.427323 0.054 Uiso 1 1 calc R U . . .
C43L C 0.1865(4) 0.1215(4) 0.3718(3) 0.0424(18) Uani 1 1 d . . . . .
H43L H 0.148295 0.137268 0.344519 0.051 Uiso 1 1 calc R U . . .
C44L C 0.2418(4) 0.0739(4) 0.3633(3) 0.0409(16) Uani 1 1 d . . . . .
H44L H 0.241290 0.055958 0.330022 0.049 Uiso 1 1 calc R U . . .
C45L C 0.2981(4) 0.0523(4) 0.4034(3) 0.0367(16) Uani 1 1 d . . . . .
H45L H 0.335576 0.019572 0.396915 0.044 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Tb1A O1A 2.317(4) . ?
Tb1A O7A 2.325(4) . ?
Tb1A O5A 2.339(4) . ?
Tb1A O4A 2.365(4) . ?
Tb1A O10A 2.446(4) . ?
Tb1A O9A 2.478(4) . ?
Tb1A N1A 2.545(5) . ?
Tb1A N2A 2.579(5) . ?
Tb1A C37A 2.819(6) . ?
Tb1A O3A 2.869(4) . ?
Tb1A C10A 2.969(6) . ?
Tb1A Tb2A 3.9630(4) . ?
Tb2A O6A 2.330(4) . ?
Tb2A O3A 2.344(4) . ?
Tb2A O2A 2.363(4) . ?
Tb2A O8A 2.433(4) . ?
Tb2A O12A 2.439(4) . ?
Tb2A O11A 2.466(4) . ?
Tb2A N4A 2.576(5) . ?
Tb2A N3A 2.608(5) . ?
Tb2A O7A 2.610(4) . ?
Tb2A C46A 2.802(6) . ?
Tb2A C28A 2.882(5) . ?
O1A C1A 1.254(7) . ?
O2A C1A 1.254(7) . ?
O3A C10A 1.263(7) . ?
O4A C10A 1.253(7) . ?
O5A C19A 1.263(7) . ?
O6A C19A 1.259(7) . ?
O7A C28A 1.265(7) . ?
O8A C28A 1.254(7) . ?
O9A C37A 1.269(7) . ?
O10A C37A 1.248(8) . ?
O11A C46A 1.282(8) . ?
O12A C46A 1.242(8) . ?
N1A C55A 1.335(8) . ?
N1A C59A 1.353(7) . ?
N2A C66A 1.319(8) . ?
N2A C60A 1.350(7) . ?
N3A C67A 1.333(8) . ?
N3A C71A 1.346(7) . ?
N4A C78A 1.329(8) . ?
N4A C72A 1.369(7) . ?
C1A C2A 1.531(8) . ?
C2A C4A 1.394(12) . ?
C2A C3A 1.526(9) . ?
C2A C4C 1.760(12) . ?
C2A H2A 1.0000 . ?
C3A H3AA 0.9800 . ?
C3A H3AB 0.9800 . ?
C3A H3AC 0.9800 . ?
C4A C5A 1.395(16) . ?
C4A C9A 1.415(15) . ?
C5A C6A 1.364(14) . ?
C5A H5A 0.9500 . ?
C6A C7A 1.401(15) . ?
C6A H6A 0.9500 . ?
C7A C8A 1.375(16) . ?
C7A H7A 0.9500 . ?
C8A C9A 1.393(14) . ?
C8A H8A 0.9500 . ?
C9A H9A 0.9500 . ?
C4C C5C 1.3900 . ?
C4C C9C 1.3900 . ?
C5C C6C 1.3900 . ?
C5C H5C 0.9500 . ?
C6C C7C 1.3900 . ?
C6C H6C 0.9500 . ?
C7C C8C 1.3900 . ?
C7C H7C 0.9500 . ?
C8C C9C 1.3900 . ?
C8C H8C 0.9500 . ?
C9C H9C 0.9500 . ?
C10A C11A 1.536(9) . ?
C11A C13A 1.523(9) . ?
C11A C12A 1.530(8) . ?
C11A H11A 1.0000 . ?
C12A H12A 0.9800 . ?
C12A H12B 0.9800 . ?
C12A H12C 0.9800 . ?
C13A C18A 1.393(9) . ?
C13A C14A 1.407(9) . ?
C14A C15A 1.382(11) . ?
C14A H14A 0.9500 . ?
C15A C16A 1.381(12) . ?
C15A H15A 0.9500 . ?
C16A C17A 1.381(12) . ?
C16A H16A 0.9500 . ?
C17A C18A 1.403(10) . ?
C17A H17A 0.9500 . ?
C18A H18A 0.9500 . ?
C19A C20A 1.536(9) . ?
C20A C22A 1.502(9) . ?
C20A C21A 1.535(10) . ?
C20A H20A 1.0000 . ?
C21A H21A 0.9800 . ?
C21A H21B 0.9800 . ?
C21A H21C 0.9800 . ?
C23A C22A 1.352(16) . ?
C23A C24A 1.401(17) . ?
C23A H23A 0.9500 . ?
C24A C25A 1.364(18) . ?
C24A H24A 0.9500 . ?
C25A C26A 1.395(17) . ?
C25A H25A 0.9500 . ?
C26A C27A 1.396(16) . ?
C26A H26A 0.9500 . ?
C27A C22A 1.431(17) . ?
C27A H27A 0.9500 . ?
C22A C23C 1.3900 . ?
C22A C27C 1.3900 . ?
C23C C24C 1.3900 . ?
C23C H23C 0.9500 . ?
C24C C25C 1.3900 . ?
C24C H24C 0.9500 . ?
C25C C26C 1.3900 . ?
C25C H25C 0.9500 . ?
C26C C27C 1.3900 . ?
C26C H26C 0.9500 . ?
C27C H27C 0.9500 . ?
C28A C29A 1.530(8) . ?
C29A C31A 1.522(8) . ?
C29A C30A 1.528(8) . ?
C29A H29A 1.0000 . ?
C30A H30A 0.9800 . ?
C30A H30B 0.9800 . ?
C30A H30C 0.9800 . ?
C31A C32A 1.380(8) . ?
C31A C36A 1.396(9) . ?
C32A C33A 1.377(9) . ?
C32A H32A 0.9500 . ?
C33A C34A 1.397(10) . ?
C33A H33A 0.9500 . ?
C34A C35A 1.373(10) . ?
C34A H34A 0.9500 . ?
C35A C36A 1.374(10) . ?
C35A H35A 0.9500 . ?
C36A H36A 0.9500 . ?
C37A C38A 1.531(9) . ?
C38A C39A 1.516(10) . ?
C38A C40A 1.525(10) . ?
C38A H38A 1.0000 . ?
C39A H39A 0.9800 . ?
C39A H39B 0.9800 . ?
C39A H39C 0.9800 . ?
C40A C45A 1.375(10) . ?
C40A C41A 1.376(10) . ?
C41A C42A 1.387(9) . ?
C41A H41A 0.9500 . ?
C42A C43A 1.364(11) . ?
C42A H42A 0.9500 . ?
C43A C44A 1.387(11) . ?
C43A H43A 0.9500 . ?
C44A C45A 1.397(10) . ?
C44A H44A 0.9500 . ?
C45A H45A 0.9500 . ?
C46A C47A 1.527(8) . ?
C47A C48A 1.514(9) . ?
C47A C49A 1.536(9) . ?
C47A H47A 1.0000 . ?
C48A H48A 0.9800 . ?
C48A H48B 0.9800 . ?
C48A H48C 0.9800 . ?
C49A C54A 1.396(9) . ?
C49A C50A 1.398(9) . ?
C50A C51A 1.389(10) . ?
C50A H50A 0.9500 . ?
C51A C52A 1.375(11) . ?
C51A H51A 0.9500 . ?
C52A C53A 1.399(11) . ?
C52A H52A 0.9500 . ?
C53A C54A 1.386(10) . ?
C53A H53A 0.9500 . ?
C54A H54A 0.9500 . ?
C66A C65A 1.406(9) . ?
C66A H66A 0.9500 . ?
C65A C64A 1.351(10) . ?
C65A H65A 0.9500 . ?
C64A C63A 1.394(10) . ?
C64A H64A 0.9500 . ?
C63A C60A 1.416(8) . ?
C63A C62A 1.429(9) . ?
C62A C61A 1.340(10) . ?
C62A H62A 0.9500 . ?
C61A C58A 1.431(9) . ?
C61A H61A 0.9500 . ?
C58A C57A 1.400(9) . ?
C58A C59A 1.415(8) . ?
C57A C56A 1.367(9) . ?
C57A H57A 0.9500 . ?
C56A C55A 1.395(8) . ?
C56A H56A 0.9500 . ?
C55A H55A 0.9500 . ?
C59A C60A 1.454(8) . ?
C67A C68A 1.407(9) . ?
C67A H67A 0.9500 . ?
C68A C69A 1.363(9) . ?
C68A H68A 0.9500 . ?
C69A C70A 1.399(9) . ?
C69A H69A 0.9500 . ?
C70A C71A 1.426(8) . ?
C70A C73A 1.427(8) . ?
C73A C74A 1.342(9) . ?
C73A H73A 0.9500 . ?
C74A C75A 1.437(8) . ?
C74A H74A 0.9500 . ?
C75A C76A 1.403(8) . ?
C75A C72A 1.407(7) . ?
C76A C77A 1.378(9) . ?
C76A H76A 0.9500 . ?
C77A C78A 1.403(9) . ?
C77A H77A 0.9500 . ?
C78A H78A 0.9500 . ?
C72A C71A 1.425(8) . ?
Tb1B O5B 2.329(4) . ?
Tb1B O1B 2.329(4) . ?
Tb1B O7B 2.344(4) . ?
Tb1B O10B 2.440(4) . ?
Tb1B O4B 2.476(4) . ?
Tb1B O9B 2.504(4) . ?
Tb1B O3B 2.535(4) . ?
Tb1B N1B 2.597(5) . ?
Tb1B N2B 2.602(5) . ?
Tb1B C37B 2.845(6) . ?
Tb1B C10B 2.884(6) . ?
Tb1B Tb2B 3.8809(4) . ?
Tb2B O3B 2.315(4) . ?
Tb2B O6B 2.339(4) . ?
Tb2B O2B 2.369(4) . ?
Tb2B O8B 2.415(4) . ?
Tb2B O12B 2.450(4) . ?
Tb2B O11B 2.521(4) . ?
Tb2B O7B 2.544(4) . ?
Tb2B N4B 2.561(5) . ?
Tb2B N3B 2.579(5) . ?
Tb2B C46B 2.853(6) . ?
Tb2B C28B 2.855(6) . ?
O1B C1B 1.251(7) . ?
O2B C1B 1.262(7) . ?
O3B C10B 1.284(6) . ?
O4B C10B 1.241(6) . ?
O5B C18B 1.252(7) . ?
O6B C18B 1.251(7) . ?
O7B C28B 1.273(7) . ?
O8B C28B 1.262(7) . ?
O9B C37B 1.270(7) . ?
O10B C37B 1.261(7) . ?
O11B C46B 1.259(7) . ?
O12B C46B 1.277(7) . ?
N1B C55B 1.315(9) . ?
N1B C59B 1.352(8) . ?
N2B C66B 1.318(8) . ?
N2B C60B 1.381(8) . ?
N3B C67B 1.329(8) . ?
N3B C71B 1.362(7) . ?
N4B C78B 1.340(8) . ?
N4B C72B 1.353(8) . ?
C1B C2B 1.538(8) . ?
C2B C3B 1.518(8) . ?
C2B C4B 1.530(8) . ?
C2B H2B 1.0000 . ?
C3B H3BA 0.9800 . ?
C3B H3BB 0.9800 . ?
C3B H3BC 0.9800 . ?
C4B C5B 1.387(8) . ?
C4B C9B 1.390(9) . ?
C5B C6B 1.391(10) . ?
C5B H5B 0.9500 . ?
C6B C7B 1.385(12) . ?
C6B H6B 0.9500 . ?
C7B C8B 1.368(11) . ?
C7B H7B 0.9500 . ?
C8B C9B 1.408(10) . ?
C8B H8B 0.9500 . ?
C9B H9B 0.9500 . ?
C10B C11B 1.524(8) . ?
C11B C12B 1.525(8) . ?
C11B C13B 1.540(8) . ?
C11B H11B 1.0000 . ?
C12B H12D 0.9800 . ?
C12B H12E 0.9800 . ?
C12B H12F 0.9800 . ?
C13B C14B 1.374(8) . ?
C13B C19B 1.404(8) . ?
C14B C15B 1.380(8) . ?
C14B H14B 0.9500 . ?
C15B C16B 1.391(9) . ?
C15B H15B 0.9500 . ?
C16B C17B 1.382(10) . ?
C16B H16B 0.9500 . ?
C17B C19B 1.389(9) . ?
C17B H17B 0.9500 . ?
C18B C20B 1.534(8) . ?
C19B H19B 0.9500 . ?
C20B C22B 1.512(9) . ?
C20B C21B 1.535(9) . ?
C20B H20B 1.0000 . ?
C21B H21D 0.9800 . ?
C21B H21E 0.9800 . ?
C21B H21F 0.9800 . ?
C22B C23B 1.382(10) . ?
C22B C27B 1.387(10) . ?
C23B C24B 1.408(12) . ?
C23B H23B 0.9500 . ?
C24B C25B 1.357(14) . ?
C24B H24B 0.9500 . ?
C25B C26B 1.392(13) . ?
C25B H25B 0.9500 . ?
C26B C27B 1.406(10) . ?
C26B H26B 0.9500 . ?
C27B H27B 0.9500 . ?
C28B C29B 1.529(8) . ?
C29B C30B 1.520(9) . ?
C29B C31B 1.524(9) . ?
C29B H29B 1.0000 . ?
C30B H30D 0.9800 . ?
C30B H30E 0.9800 . ?
C30B H30F 0.9800 . ?
C31B C36B 1.375(9) . ?
C31B C32B 1.395(9) . ?
C32B C33B 1.380(11) . ?
C32B H32B 0.9500 . ?
C33B C34B 1.372(12) . ?
C33B H33B 0.9500 . ?
C34B C35B 1.384(12) . ?
C34B H34B 0.9500 . ?
C35B C36B 1.391(10) . ?
C35B H35B 0.9500 . ?
C36B H36B 0.9500 . ?
C37B C38B 1.526(9) . ?
C39B C38B 1.529(9) . ?
C39B H39D 0.9800 . ?
C39B H39E 0.9800 . ?
C39B H39F 0.9800 . ?
C38B C40B 1.533(12) . ?
C38B H38B 1.0000 . ?
C40B C41B 1.368(12) . ?
C40B C45B 1.399(10) . ?
C41B C42B 1.395(12) . ?
C41B H41B 0.9500 . ?
C42B C43B 1.366(12) . ?
C42B H42B 0.9500 . ?
C43B C44B 1.344(15) . ?
C43B H43B 0.9500 . ?
C44B C45B 1.381(13) . ?
C44B H44B 0.9500 . ?
C45B H45B 0.9500 . ?
C46B C47B 1.523(8) . ?
C47B C49B 1.527(8) . ?
C47B C48B 1.535(9) . ?
C47B H47B 1.0000 . ?
C48B H48D 0.9800 . ?
C48B H48E 0.9800 . ?
C48B H48F 0.9800 . ?
C49B C54B 1.386(9) . ?
C49B C50B 1.391(9) . ?
C50B C51B 1.404(9) . ?
C50B H50B 0.9500 . ?
C51B C52B 1.383(12) . ?
C51B H51B 0.9500 . ?
C52B C53B 1.376(13) . ?
C52B H52B 0.9500 . ?
C53B C54B 1.377(10) . ?
C53B H53B 0.9500 . ?
C54B H54B 0.9500 . ?
C55B C56B 1.408(9) . ?
C55B H55B 0.9500 . ?
C56B C57B 1.369(11) . ?
C56B H56B 0.9500 . ?
C57B C58B 1.381(10) . ?
C57B H57B 0.9500 . ?
C58B C59B 1.423(9) . ?
C58B C61B 1.432(9) . ?
C59B C60B 1.422(10) . ?
C60B C63B 1.417(9) . ?
C61B C62B 1.347(10) . ?
C61B H61B 0.9500 . ?
C62B C63B 1.440(9) . ?
C62B H62B 0.9500 . ?
C63B C64B 1.388(10) . ?
C64B C65B 1.367(10) . ?
C64B H64B 0.9500 . ?
C65B C66B 1.415(9) . ?
C65B H65B 0.9500 . ?
C66B H66B 0.9500 . ?
C67B C68B 1.413(8) . ?
C67B H67B 0.9500 . ?
C68B C69B 1.367(9) . ?
C68B H68B 0.9500 . ?
C69B C70B 1.411(9) . ?
C69B H69B 0.9500 . ?
C70B C71B 1.418(8) . ?
C70B C73B 1.436(9) . ?
C71B C72B 1.427(9) . ?
C72B C75B 1.426(8) . ?
C73B C74B 1.336(10) . ?
C73B H73B 0.9500 . ?
C74B C75B 1.437(9) . ?
C74B H74B 0.9500 . ?
C75B C76B 1.403(9) . ?
C76B C77B 1.361(10) . ?
C76B H76B 0.9500 . ?
C77B C78B 1.408(8) . ?
C77B H77B 0.9500 . ?
C78B H78B 0.9500 . ?
O1L C1L 1.298(8) . ?
O1L H1OL 0.8001(15) . ?
O2L C1L 1.168(8) . ?
C1L C2L 1.534(9) . ?
C2L C4L 1.522(9) . ?
C2L C3L 1.525(9) . ?
C2L H2L 1.0000 . ?
C3L H3LA 0.9800 . ?
C3L H3LB 0.9800 . ?
C3L H3LC 0.9800 . ?
C4L C9L 1.381(10) . ?
C4L C5L 1.389(11) . ?
C5L C6L 1.383(11) . ?
C5L H5L 0.9500 . ?
C6L C7L 1.387(13) . ?
C6L H6L 0.9500 . ?
C7L C8L 1.358(13) . ?
C7L H7L 0.9500 . ?
C8L C9L 1.417(12) . ?
C8L H8L 0.9500 . ?
C9L H9L 0.9500 . ?
O3L C10L 1.325(9) . ?
O3L H3OL 0.8002(15) . ?
O4L C10L 1.222(9) . ?
C10L C11L 1.509(11) . ?
C11L C13L 1.460(18) . ?
C11L C12L 1.534(11) . ?
C11L C13K 1.656(19) . ?
C11L H11L 1.0000 . ?
C12L H12G 0.9800 . ?
C12L H12H 0.9800 . ?
C12L H12I 0.9800 . ?
C13L C14L 1.3900 . ?
C13L C18L 1.3900 . ?
C14L C15L 1.3900 . ?
C14L H14L 0.9500 . ?
C15L C16L 1.3900 . ?
C15L H15L 0.9500 . ?
C16L C17L 1.3900 . ?
C16L H16L 0.9500 . ?
C17L C18L 1.3900 . ?
C17L H17L 0.9500 . ?
C18L H18L 0.9500 . ?
C13K C14K 1.3900 . ?
C13K C18K 1.3900 . ?
C14K C15K 1.3900 . ?
C14K H14K 0.9500 . ?
C15K C16K 1.3900 . ?
C15K H15K 0.9500 . ?
C16K C17K 1.3900 . ?
C16K H16K 0.9500 . ?
C17K C18K 1.3900 . ?
C17K H17K 0.9500 . ?
C18K H18K 0.9500 . ?
O5L C19L 1.337(13) . ?
O5L H5OL 0.8002(17) . ?
O6L C19L 1.198(14) . ?
C19L C20L 1.535(11) . ?
C20L C21L 1.48(2) . ?
C20L C22L 1.58(3) . ?
C20L H20L 1.0000 . ?
C21L H21G 0.9800 . ?
C21L H21H 0.9800 . ?
C21L H21I 0.9800 . ?
C22L C27L 1.36(3) . ?
C22L C23L 1.38(3) . ?
C23L C24L 1.31(3) . ?
C23L H23L 0.9500 . ?
C24L C25L 1.39(2) . ?
C24L H24L 0.9500 . ?
C25L C26L 1.37(3) . ?
C25L H25L 0.9500 . ?
C26L C27L 1.38(3) . ?
C26L H26L 0.9500 . ?
C27L H27L 0.9500 . ?
O5K C19K 1.32(3) . ?
O5K H5OK 0.802(15) . ?
O6K C19K 1.24(3) . ?
C19K C20K 1.58(3) . ?
C20K C22K 1.40(3) . ?
C20K C21K 1.541(13) . ?
C20K H20K 1.0000 . ?
C21K H21J 0.9800 . ?
C21K H21K 0.9800 . ?
C21K H21L 0.9800 . ?
C22K C23K 1.3900 . ?
C22K C27K 1.3900 . ?
C23K C24K 1.3900 . ?
C23K H23K 0.9500 . ?
C24K C25K 1.3900 . ?
C24K H24K 0.9500 . ?
C25K C26K 1.3900 . ?
C25K H25K 0.9500 . ?
C26K C27K 1.3900 . ?
C26K H26K 0.9500 . ?
C27K H27K 0.9500 . ?
O7L C28L 1.320(9) . ?
O7L H7OL 0.80001(15) . ?
O8L C28L 1.200(9) . ?
C28L C29L 1.528(10) . ?
C29L C31L 1.516(10) . ?
C29L C30L 1.538(13) . ?
C29L H29L 1.0000 . ?
C30L H30G 0.9800 . ?
C30L H30H 0.9800 . ?
C30L H30I 0.9800 . ?
C31L C32L 1.372(9) . ?
C31L C36L 1.388(10) . ?
C32L C33L 1.395(11) . ?
C32L H32L 0.9500 . ?
C33L C34L 1.359(12) . ?
C33L H33L 0.9500 . ?
C34L C35L 1.373(12) . ?
C34L H34L 0.9500 . ?
C35L C36L 1.395(12) . ?
C35L H35L 0.9500 . ?
C36L H36L 0.9500 . ?
O9L C37L 1.325(8) . ?
O9L H9OL 0.8005(15) . ?
O10L C37L 1.209(8) . ?
C37L C38L 1.538(9) . ?
C38L C39L 1.516(10) . ?
C38L C40L 1.518(9) . ?
C38L H38L 1.0000 . ?
C39L H39G 0.9800 . ?
C39L H39H 0.9800 . ?
C39L H39I 0.9800 . ?
C40L C45L 1.379(9) . ?
C40L C41L 1.403(9) . ?
C41L C42L 1.376(10) . ?
C41L H41L 0.9500 . ?
C42L C43L 1.382(11) . ?
C42L H42L 0.9500 . ?
C43L C44L 1.385(10) . ?
C43L H43L 0.9500 . ?
C44L C45L 1.387(10) . ?
C44L H44L 0.9500 . ?
C45L H45L 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1A Tb1A O7A 76.07(14) . . ?
O1A Tb1A O5A 134.93(14) . . ?
O7A Tb1A O5A 73.53(14) . . ?
O1A Tb1A O4A 77.78(16) . . ?
O7A Tb1A O4A 123.09(14) . . ?
O5A Tb1A O4A 91.89(15) . . ?
O1A Tb1A O10A 131.18(15) . . ?
O7A Tb1A O10A 92.34(14) . . ?
O5A Tb1A O10A 82.72(14) . . ?
O4A Tb1A O10A 141.10(14) . . ?
O1A Tb1A O9A 78.46(14) . . ?
O7A Tb1A O9A 78.18(14) . . ?
O5A Tb1A O9A 125.43(14) . . ?
O4A Tb1A O9A 142.28(14) . . ?
O10A Tb1A O9A 52.72(14) . . ?
O1A Tb1A N1A 80.89(15) . . ?
O7A Tb1A N1A 144.12(16) . . ?
O5A Tb1A N1A 139.87(15) . . ?
O4A Tb1A N1A 77.16(15) . . ?
O10A Tb1A N1A 82.48(15) . . ?
O9A Tb1A N1A 70.46(15) . . ?
O1A Tb1A N2A 135.49(16) . . ?
O7A Tb1A N2A 147.29(15) . . ?
O5A Tb1A N2A 75.70(15) . . ?
O4A Tb1A N2A 68.44(15) . . ?
O10A Tb1A N2A 72.91(15) . . ?
O9A Tb1A N2A 111.94(15) . . ?
N1A Tb1A N2A 64.32(16) . . ?
O1A Tb1A C37A 105.06(18) . . ?
O7A Tb1A C37A 87.38(16) . . ?
O5A Tb1A C37A 105.93(17) . . ?
O4A Tb1A C37A 148.46(16) . . ?
O10A Tb1A C37A 26.22(16) . . ?
O9A Tb1A C37A 26.75(16) . . ?
N1A Tb1A C37A 72.43(17) . . ?
N2A Tb1A C37A 90.60(17) . . ?
O1A Tb1A O3A 69.67(14) . . ?
O7A Tb1A O3A 74.90(13) . . ?
O5A Tb1A O3A 70.79(13) . . ?
O4A Tb1A O3A 48.68(13) . . ?
O10A Tb1A O3A 152.86(13) . . ?
O9A Tb1A O3A 142.19(13) . . ?
N1A Tb1A O3A 121.78(13) . . ?
N2A Tb1A O3A 105.04(14) . . ?
C37A Tb1A O3A 162.22(15) . . ?
O1A Tb1A C10A 74.10(16) . . ?
O7A Tb1A C10A 99.76(16) . . ?
O5A Tb1A C10A 79.16(16) . . ?
O4A Tb1A C10A 23.92(15) . . ?
O10A Tb1A C10A 154.30(15) . . ?
O9A Tb1A C10A 152.10(15) . . ?
N1A Tb1A C10A 99.90(16) . . ?
N2A Tb1A C10A 84.99(17) . . ?
C37A Tb1A C10A 172.27(17) . . ?
O3A Tb1A C10A 24.90(14) . . ?
O1A Tb1A Tb2A 68.22(10) . . ?
O7A Tb1A Tb2A 39.10(10) . . ?
O5A Tb1A Tb2A 67.15(10) . . ?
O4A Tb1A Tb2A 84.24(10) . . ?
O10A Tb1A Tb2A 127.25(10) . . ?
O9A Tb1A Tb2A 113.13(9) . . ?
N1A Tb1A Tb2A 146.70(11) . . ?
N2A Tb1A Tb2A 132.72(11) . . ?
C37A Tb1A Tb2A 126.47(12) . . ?
O3A Tb1A Tb2A 35.80(8) . . ?
C10A Tb1A Tb2A 60.68(12) . . ?
O6A Tb2A O3A 79.07(15) . . ?
O6A Tb2A O2A 137.34(14) . . ?
O3A Tb2A O2A 75.29(14) . . ?
O6A Tb2A O8A 82.79(15) . . ?
O3A Tb2A O8A 131.12(14) . . ?
O2A Tb2A O8A 89.02(15) . . ?
O6A Tb2A O12A 127.81(15) . . ?
O3A Tb2A O12A 85.41(15) . . ?
O2A Tb2A O12A 83.50(15) . . ?
O8A Tb2A O12A 139.25(15) . . ?
O6A Tb2A O11A 74.75(15) . . ?
O3A Tb2A O11A 78.10(15) . . ?
O2A Tb2A O11A 130.52(14) . . ?
O8A Tb2A O11A 138.77(14) . . ?
O12A Tb2A O11A 53.28(15) . . ?
O6A Tb2A N4A 78.06(15) . . ?
O3A Tb2A N4A 143.06(16) . . ?
O2A Tb2A N4A 139.04(15) . . ?
O8A Tb2A N4A 73.73(14) . . ?
O12A Tb2A N4A 86.14(15) . . ?
O11A Tb2A N4A 68.11(14) . . ?
O6A Tb2A N3A 136.42(15) . . ?
O3A Tb2A N3A 144.47(15) . . ?
O2A Tb2A N3A 75.91(14) . . ?
O8A Tb2A N3A 68.30(15) . . ?
O12A Tb2A N3A 71.03(16) . . ?
O11A Tb2A N3A 106.08(15) . . ?
N4A Tb2A N3A 63.25(15) . . ?
O6A Tb2A O7A 70.44(14) . . ?
O3A Tb2A O7A 79.91(13) . . ?
O2A Tb2A O7A 71.91(13) . . ?
O8A Tb2A O7A 51.23(12) . . ?
O12A Tb2A O7A 153.82(14) . . ?
O11A Tb2A O7A 141.62(13) . . ?
N4A Tb2A O7A 118.33(13) . . ?
N3A Tb2A O7A 110.11(14) . . ?
O6A Tb2A C46A 101.99(18) . . ?
O3A Tb2A C46A 83.30(17) . . ?
O2A Tb2A C46A 108.13(18) . . ?
O8A Tb2A C46A 145.15(16) . . ?
O12A Tb2A C46A 26.26(18) . . ?
O11A Tb2A C46A 27.23(17) . . ?
N4A Tb2A C46A 73.61(17) . . ?
N3A Tb2A C46A 86.30(17) . . ?
O7A Tb2A C46A 162.61(15) . . ?
O6A Tb2A C28A 78.25(15) . . ?
O3A Tb2A C28A 105.82(16) . . ?
O2A Tb2A C28A 76.74(15) . . ?
O8A Tb2A C28A 25.54(14) . . ?
O12A Tb2A C28A 153.67(16) . . ?
O11A Tb2A C28A 151.44(15) . . ?
N4A Tb2A C28A 97.44(15) . . ?
N3A Tb2A C28A 87.24(16) . . ?
O7A Tb2A C28A 26.03(14) . . ?
C46A Tb2A C28A 170.66(16) . . ?
O6A Tb2A Tb1A 69.30(10) . . ?
O3A Tb2A Tb1A 45.73(11) . . ?
O2A Tb2A Tb1A 68.35(9) . . ?
O8A Tb2A Tb1A 85.40(9) . . ?
O12A Tb2A Tb1A 127.43(11) . . ?
O11A Tb2A Tb1A 116.84(10) . . ?
N4A Tb2A Tb1A 143.15(11) . . ?
N3A Tb2A Tb1A 135.68(11) . . ?
O7A Tb2A Tb1A 34.18(8) . . ?
C46A Tb2A Tb1A 128.85(13) . . ?
C28A Tb2A Tb1A 60.14(11) . . ?
C1A O1A Tb1A 139.1(4) . . ?
C1A O2A Tb2A 135.6(4) . . ?
C10A O3A Tb2A 176.6(4) . . ?
C10A O3A Tb1A 82.0(4) . . ?
Tb2A O3A Tb1A 98.47(14) . . ?
C10A O4A Tb1A 106.2(4) . . ?
C19A O5A Tb1A 136.7(4) . . ?
C19A O6A Tb2A 135.8(4) . . ?
C28A O7A Tb1A 163.4(4) . . ?
C28A O7A Tb2A 89.1(3) . . ?
Tb1A O7A Tb2A 106.72(15) . . ?
C28A O8A Tb2A 97.6(3) . . ?
C37A O9A Tb1A 91.8(4) . . ?
C37A O10A Tb1A 93.8(4) . . ?
C46A O11A Tb2A 91.1(4) . . ?
C46A O12A Tb2A 93.4(4) . . ?
C55A N1A C59A 117.9(5) . . ?
C55A N1A Tb1A 121.7(4) . . ?
C59A N1A Tb1A 120.4(4) . . ?
C66A N2A C60A 117.8(5) . . ?
C66A N2A Tb1A 123.0(4) . . ?
C60A N2A Tb1A 119.1(4) . . ?
C67A N3A C71A 118.2(5) . . ?
C67A N3A Tb2A 122.2(4) . . ?
C71A N3A Tb2A 119.5(4) . . ?
C78A N4A C72A 117.8(5) . . ?
C78A N4A Tb2A 121.8(4) . . ?
C72A N4A Tb2A 120.3(4) . . ?
O1A C1A O2A 126.6(5) . . ?
O1A C1A C2A 115.1(5) . . ?
O2A C1A C2A 118.3(5) . . ?
C4A C2A C3A 114.6(7) . . ?
C4A C2A C1A 112.4(7) . . ?
C3A C2A C1A 113.9(5) . . ?
C3A C2A C4C 106.4(6) . . ?
C1A C2A C4C 102.2(6) . . ?
C4A C2A H2A 104.9 . . ?
C3A C2A H2A 104.9 . . ?
C1A C2A H2A 104.9 . . ?
C2A C3A H3AA 109.5 . . ?
C2A C3A H3AB 109.5 . . ?
H3AA C3A H3AB 109.5 . . ?
C2A C3A H3AC 109.5 . . ?
H3AA C3A H3AC 109.5 . . ?
H3AB C3A H3AC 109.5 . . ?
C2A C4A C5A 122.7(10) . . ?
C2A C4A C9A 120.9(10) . . ?
C5A C4A C9A 116.3(10) . . ?
C6A C5A C4A 122.0(10) . . ?
C6A C5A H5A 119.0 . . ?
C4A C5A H5A 119.0 . . ?
C5A C6A C7A 120.9(10) . . ?
C5A C6A H6A 119.5 . . ?
C7A C6A H6A 119.5 . . ?
C8A C7A C6A 119.0(10) . . ?
C8A C7A H7A 120.5 . . ?
C6A C7A H7A 120.5 . . ?
C7A C8A C9A 119.8(10) . . ?
C7A C8A H8A 120.1 . . ?
C9A C8A H8A 120.1 . . ?
C8A C9A C4A 121.9(10) . . ?
C8A C9A H9A 119.1 . . ?
C4A C9A H9A 119.1 . . ?
C5C C4C C9C 120.0 . . ?
C5C C4C C2A 120.7(9) . . ?
C9C C4C C2A 119.3(9) . . ?
C6C C5C C4C 120.0 . . ?
C6C C5C H5C 120.0 . . ?
C4C C5C H5C 120.0 . . ?
C7C C6C C5C 120.0 . . ?
C7C C6C H6C 120.0 . . ?
C5C C6C H6C 120.0 . . ?
C6C C7C C8C 120.0 . . ?
C6C C7C H7C 120.0 . . ?
C8C C7C H7C 120.0 . . ?
C7C C8C C9C 120.0 . . ?
C7C C8C H8C 120.0 . . ?
C9C C8C H8C 120.0 . . ?
C8C C9C C4C 120.0 . . ?
C8C C9C H9C 120.0 . . ?
C4C C9C H9C 120.0 . . ?
O4A C10A O3A 122.5(6) . . ?
O4A C10A C11A 115.9(5) . . ?
O3A C10A C11A 121.5(5) . . ?
O4A C10A Tb1A 49.9(3) . . ?
O3A C10A Tb1A 73.1(3) . . ?
C11A C10A Tb1A 163.1(4) . . ?
C13A C11A C12A 111.1(5) . . ?
C13A C11A C10A 107.7(5) . . ?
C12A C11A C10A 115.3(5) . . ?
C13A C11A H11A 107.5 . . ?
C12A C11A H11A 107.5 . . ?
C10A C11A H11A 107.5 . . ?
C11A C12A H12A 109.5 . . ?
C11A C12A H12B 109.5 . . ?
H12A C12A H12B 109.5 . . ?
C11A C12A H12C 109.5 . . ?
H12A C12A H12C 109.5 . . ?
H12B C12A H12C 109.5 . . ?
C18A C13A C14A 118.5(6) . . ?
C18A C13A C11A 120.8(6) . . ?
C14A C13A C11A 120.7(6) . . ?
C15A C14A C13A 120.9(7) . . ?
C15A C14A H14A 119.6 . . ?
C13A C14A H14A 119.6 . . ?
C16A C15A C14A 119.6(8) . . ?
C16A C15A H15A 120.2 . . ?
C14A C15A H15A 120.2 . . ?
C15A C16A C17A 121.2(7) . . ?
C15A C16A H16A 119.4 . . ?
C17A C16A H16A 119.4 . . ?
C16A C17A C18A 119.2(7) . . ?
C16A C17A H17A 120.4 . . ?
C18A C17A H17A 120.4 . . ?
C13A C18A C17A 120.6(7) . . ?
C13A C18A H18A 119.7 . . ?
C17A C18A H18A 119.7 . . ?
O6A C19A O5A 125.7(6) . . ?
O6A C19A C20A 116.5(5) . . ?
O5A C19A C20A 117.8(6) . . ?
C22A C20A C21A 114.0(6) . . ?
C22A C20A C19A 114.1(5) . . ?
C21A C20A C19A 106.8(6) . . ?
C22A C20A H20A 107.2 . . ?
C21A C20A H20A 107.2 . . ?
C19A C20A H20A 107.2 . . ?
C20A C21A H21A 109.5 . . ?
C20A C21A H21B 109.5 . . ?
H21A C21A H21B 109.5 . . ?
C20A C21A H21C 109.5 . . ?
H21A C21A H21C 109.5 . . ?
H21B C21A H21C 109.5 . . ?
C22A C23A C24A 123.2(13) . . ?
C22A C23A H23A 118.4 . . ?
C24A C23A H23A 118.4 . . ?
C25A C24A C23A 118.3(12) . . ?
C25A C24A H24A 120.8 . . ?
C23A C24A H24A 120.8 . . ?
C24A C25A C26A 121.3(12) . . ?
C24A C25A H25A 119.3 . . ?
C26A C25A H25A 119.3 . . ?
C25A C26A C27A 119.6(12) . . ?
C25A C26A H26A 120.2 . . ?
C27A C26A H26A 120.2 . . ?
C26A C27A C22A 119.5(11) . . ?
C26A C27A H27A 120.3 . . ?
C22A C27A H27A 120.3 . . ?
C23C C22A C27C 120.0 . . ?
C23A C22A C27A 118.1(9) . . ?
C23A C22A C20A 130.2(9) . . ?
C23C C22A C20A 113.4(7) . . ?
C27C C22A C20A 126.6(7) . . ?
C27A C22A C20A 111.7(7) . . ?
C24C C23C C22A 120.0 . . ?
C24C C23C H23C 120.0 . . ?
C22A C23C H23C 120.0 . . ?
C25C C24C C23C 120.0 . . ?
C25C C24C H24C 120.0 . . ?
C23C C24C H24C 120.0 . . ?
C24C C25C C26C 120.0 . . ?
C24C C25C H25C 120.0 . . ?
C26C C25C H25C 120.0 . . ?
C27C C26C C25C 120.0 . . ?
C27C C26C H26C 120.0 . . ?
C25C C26C H26C 120.0 . . ?
C26C C27C C22A 120.0 . . ?
C26C C27C H27C 120.0 . . ?
C22A C27C H27C 120.0 . . ?
O8A C28A O7A 120.5(5) . . ?
O8A C28A C29A 119.8(5) . . ?
O7A C28A C29A 119.7(5) . . ?
O8A C28A Tb2A 56.8(3) . . ?
O7A C28A Tb2A 64.9(3) . . ?
C29A C28A Tb2A 167.6(4) . . ?
C31A C29A C30A 115.7(5) . . ?
C31A C29A C28A 109.7(4) . . ?
C30A C29A C28A 108.1(5) . . ?
C31A C29A H29A 107.7 . . ?
C30A C29A H29A 107.7 . . ?
C28A C29A H29A 107.7 . . ?
C29A C30A H30A 109.5 . . ?
C29A C30A H30B 109.5 . . ?
H30A C30A H30B 109.5 . . ?
C29A C30A H30C 109.5 . . ?
H30A C30A H30C 109.5 . . ?
H30B C30A H30C 109.5 . . ?
C32A C31A C36A 118.1(6) . . ?
C32A C31A C29A 122.7(5) . . ?
C36A C31A C29A 119.2(5) . . ?
C33A C32A C31A 120.7(6) . . ?
C33A C32A H32A 119.6 . . ?
C31A C32A H32A 119.6 . . ?
C32A C33A C34A 120.7(6) . . ?
C32A C33A H33A 119.7 . . ?
C34A C33A H33A 119.7 . . ?
C35A C34A C33A 118.7(6) . . ?
C35A C34A H34A 120.7 . . ?
C33A C34A H34A 120.7 . . ?
C34A C35A C36A 120.5(7) . . ?
C34A C35A H35A 119.7 . . ?
C36A C35A H35A 119.7 . . ?
C35A C36A C31A 121.2(6) . . ?
C35A C36A H36A 119.4 . . ?
C31A C36A H36A 119.4 . . ?
O10A C37A O9A 120.5(5) . . ?
O10A C37A C38A 120.4(6) . . ?
O9A C37A C38A 119.1(6) . . ?
O10A C37A Tb1A 59.9(3) . . ?
O9A C37A Tb1A 61.4(3) . . ?
C38A C37A Tb1A 169.0(4) . . ?
C39A C38A C40A 114.5(6) . . ?
C39A C38A C37A 110.5(6) . . ?
C40A C38A C37A 109.8(6) . . ?
C39A C38A H38A 107.2 . . ?
C40A C38A H38A 107.2 . . ?
C37A C38A H38A 107.2 . . ?
C38A C39A H39A 109.5 . . ?
C38A C39A H39B 109.5 . . ?
H39A C39A H39B 109.5 . . ?
C38A C39A H39C 109.5 . . ?
H39A C39A H39C 109.5 . . ?
H39B C39A H39C 109.5 . . ?
C45A C40A C41A 118.5(6) . . ?
C45A C40A C38A 121.6(7) . . ?
C41A C40A C38A 119.9(7) . . ?
C40A C41A C42A 121.2(7) . . ?
C40A C41A H41A 119.4 . . ?
C42A C41A H41A 119.4 . . ?
C43A C42A C41A 120.3(7) . . ?
C43A C42A H42A 119.9 . . ?
C41A C42A H42A 119.9 . . ?
C42A C43A C44A 119.5(7) . . ?
C42A C43A H43A 120.2 . . ?
C44A C43A H43A 120.2 . . ?
C43A C44A C45A 119.7(7) . . ?
C43A C44A H44A 120.2 . . ?
C45A C44A H44A 120.2 . . ?
C40A C45A C44A 120.8(7) . . ?
C40A C45A H45A 119.6 . . ?
C44A C45A H45A 119.6 . . ?
O12A C46A O11A 121.2(6) . . ?
O12A C46A C47A 120.4(6) . . ?
O11A C46A C47A 118.3(6) . . ?
O12A C46A Tb2A 60.4(3) . . ?
O11A C46A Tb2A 61.6(3) . . ?
C47A C46A Tb2A 167.6(4) . . ?
C48A C47A C46A 112.7(6) . . ?
C48A C47A C49A 113.6(6) . . ?
C46A C47A C49A 106.2(5) . . ?
C48A C47A H47A 108.1 . . ?
C46A C47A H47A 108.1 . . ?
C49A C47A H47A 108.1 . . ?
C47A C48A H48A 109.5 . . ?
C47A C48A H48B 109.5 . . ?
H48A C48A H48B 109.5 . . ?
C47A C48A H48C 109.5 . . ?
H48A C48A H48C 109.5 . . ?
H48B C48A H48C 109.5 . . ?
C54A C49A C50A 118.5(6) . . ?
C54A C49A C47A 121.2(6) . . ?
C50A C49A C47A 120.3(6) . . ?
C51A C50A C49A 121.1(7) . . ?
C51A C50A H50A 119.5 . . ?
C49A C50A H50A 119.5 . . ?
C52A C51A C50A 119.9(7) . . ?
C52A C51A H51A 120.1 . . ?
C50A C51A H51A 120.1 . . ?
C51A C52A C53A 119.9(7) . . ?
C51A C52A H52A 120.0 . . ?
C53A C52A H52A 120.0 . . ?
C54A C53A C52A 120.2(7) . . ?
C54A C53A H53A 119.9 . . ?
C52A C53A H53A 119.9 . . ?
C53A C54A C49A 120.4(7) . . ?
C53A C54A H54A 119.8 . . ?
C49A C54A H54A 119.8 . . ?
N2A C66A C65A 123.7(6) . . ?
N2A C66A H66A 118.1 . . ?
C65A C66A H66A 118.1 . . ?
C64A C65A C66A 118.3(7) . . ?
C64A C65A H65A 120.9 . . ?
C66A C65A H65A 120.9 . . ?
C65A C64A C63A 120.6(6) . . ?
C65A C64A H64A 119.7 . . ?
C63A C64A H64A 119.7 . . ?
C64A C63A C60A 117.0(6) . . ?
C64A C63A C62A 123.4(6) . . ?
C60A C63A C62A 119.5(6) . . ?
C61A C62A C63A 122.1(6) . . ?
C61A C62A H62A 118.9 . . ?
C63A C62A H62A 118.9 . . ?
C62A C61A C58A 120.0(6) . . ?
C62A C61A H61A 120.0 . . ?
C58A C61A H61A 120.0 . . ?
C57A C58A C59A 116.3(6) . . ?
C57A C58A C61A 122.9(6) . . ?
C59A C58A C61A 120.8(6) . . ?
C56A C57A C58A 120.1(6) . . ?
C56A C57A H57A 119.9 . . ?
C58A C57A H57A 119.9 . . ?
C57A C56A C55A 119.7(6) . . ?
C57A C56A H56A 120.1 . . ?
C55A C56A H56A 120.1 . . ?
N1A C55A C56A 122.3(6) . . ?
N1A C55A H55A 118.9 . . ?
C56A C55A H55A 118.9 . . ?
N1A C59A C58A 123.6(6) . . ?
N1A C59A C60A 117.9(5) . . ?
C58A C59A C60A 118.4(5) . . ?
N2A C60A C63A 122.6(6) . . ?
N2A C60A C59A 118.3(5) . . ?
C63A C60A C59A 119.0(5) . . ?
N3A C67A C68A 123.3(6) . . ?
N3A C67A H67A 118.3 . . ?
C68A C67A H67A 118.3 . . ?
C69A C68A C67A 118.7(6) . . ?
C69A C68A H68A 120.7 . . ?
C67A C68A H68A 120.7 . . ?
C68A C69A C70A 119.9(6) . . ?
C68A C69A H69A 120.0 . . ?
C70A C69A H69A 120.0 . . ?
C69A C70A C71A 117.7(6) . . ?
C69A C70A C73A 122.6(6) . . ?
C71A C70A C73A 119.7(5) . . ?
C74A C73A C70A 121.2(6) . . ?
C74A C73A H73A 119.4 . . ?
C70A C73A H73A 119.4 . . ?
C73A C74A C75A 120.6(5) . . ?
C73A C74A H74A 119.7 . . ?
C75A C74A H74A 119.7 . . ?
C76A C75A C72A 118.3(5) . . ?
C76A C75A C74A 122.0(5) . . ?
C72A C75A C74A 119.7(5) . . ?
C77A C76A C75A 119.4(5) . . ?
C77A C76A H76A 120.3 . . ?
C75A C76A H76A 120.3 . . ?
C76A C77A C78A 118.6(6) . . ?
C76A C77A H77A 120.7 . . ?
C78A C77A H77A 120.7 . . ?
N4A C78A C77A 123.7(6) . . ?
N4A C78A H78A 118.2 . . ?
C77A C78A H78A 118.2 . . ?
N4A C72A C75A 122.2(5) . . ?
N4A C72A C71A 117.9(4) . . ?
C75A C72A C71A 120.0(5) . . ?
N3A C71A C72A 119.0(5) . . ?
N3A C71A C70A 122.2(6) . . ?
C72A C71A C70A 118.8(5) . . ?
O5B Tb1B O1B 138.36(14) . . ?
O5B Tb1B O7B 75.68(14) . . ?
O1B Tb1B O7B 77.19(15) . . ?
O5B Tb1B O10B 78.48(14) . . ?
O1B Tb1B O10B 129.85(15) . . ?
O7B Tb1B O10B 85.45(15) . . ?
O5B Tb1B O4B 88.74(13) . . ?
O1B Tb1B O4B 82.24(15) . . ?
O7B Tb1B O4B 125.91(13) . . ?
O10B Tb1B O4B 142.14(14) . . ?
O5B Tb1B O9B 124.68(14) . . ?
O1B Tb1B O9B 77.58(14) . . ?
O7B Tb1B O9B 76.34(14) . . ?
O10B Tb1B O9B 52.55(14) . . ?
O4B Tb1B O9B 145.44(14) . . ?
O5B Tb1B O3B 72.41(13) . . ?
O1B Tb1B O3B 70.17(14) . . ?
O7B Tb1B O3B 74.23(13) . . ?
O10B Tb1B O3B 147.72(14) . . ?
O4B Tb1B O3B 51.72(12) . . ?
O9B Tb1B O3B 140.14(13) . . ?
O5B Tb1B N1B 140.57(16) . . ?
O1B Tb1B N1B 77.39(16) . . ?
O7B Tb1B N1B 140.57(16) . . ?
O10B Tb1B N1B 88.23(16) . . ?
O4B Tb1B N1B 79.34(15) . . ?
O9B Tb1B N1B 69.10(16) . . ?
O3B Tb1B N1B 123.31(14) . . ?
O5B Tb1B N2B 77.59(15) . . ?
O1B Tb1B N2B 134.96(15) . . ?
O7B Tb1B N2B 147.80(14) . . ?
O10B Tb1B N2B 71.82(14) . . ?
O4B Tb1B N2B 70.66(13) . . ?
O9B Tb1B N2B 105.25(15) . . ?
O3B Tb1B N2B 114.01(14) . . ?
N1B Tb1B N2B 62.99(17) . . ?
O5B Tb1B C37B 102.62(16) . . ?
O1B Tb1B C37B 104.07(17) . . ?
O7B Tb1B C37B 81.79(16) . . ?
O10B Tb1B C37B 26.18(15) . . ?
O4B Tb1B C37B 152.16(15) . . ?
O9B Tb1B C37B 26.50(15) . . ?
O3B Tb1B C37B 156.01(15) . . ?
N1B Tb1B C37B 75.79(17) . . ?
N2B Tb1B C37B 86.87(16) . . ?
O5B Tb1B C10B 80.48(14) . . ?
O1B Tb1B C10B 74.16(16) . . ?
O7B Tb1B C10B 100.58(15) . . ?
O10B Tb1B C10B 155.91(15) . . ?
O4B Tb1B C10B 25.33(13) . . ?
O9B Tb1B C10B 151.51(14) . . ?
O3B Tb1B C10B 26.41(13) . . ?
N1B Tb1B C10B 100.84(16) . . ?
N2B Tb1B C10B 92.33(15) . . ?
C37B Tb1B C10B 176.54(17) . . ?
O5B Tb1B Tb2B 69.18(10) . . ?
O1B Tb1B Tb2B 69.77(10) . . ?
O7B Tb1B Tb2B 39.28(10) . . ?
O10B Tb1B Tb2B 120.31(11) . . ?
O4B Tb1B Tb2B 86.67(9) . . ?
O9B Tb1B Tb2B 111.64(10) . . ?
O3B Tb1B Tb2B 34.96(9) . . ?
N1B Tb1B Tb2B 145.73(11) . . ?
N2B Tb1B Tb2B 140.02(12) . . ?
C37B Tb1B Tb2B 121.07(13) . . ?
C10B Tb1B Tb2B 61.35(11) . . ?
O3B Tb2B O6B 77.31(14) . . ?
O3B Tb2B O2B 72.27(14) . . ?
O6B Tb2B O2B 137.95(14) . . ?
O3B Tb2B O8B 126.24(13) . . ?
O6B Tb2B O8B 78.02(15) . . ?
O2B Tb2B O8B 97.25(15) . . ?
O3B Tb2B O12B 95.75(14) . . ?
O6B Tb2B O12B 124.25(14) . . ?
O2B Tb2B O12B 87.53(14) . . ?
O8B Tb2B O12B 137.27(14) . . ?
O3B Tb2B O11B 76.00(13) . . ?
O6B Tb2B O11B 72.81(14) . . ?
O2B Tb2B O11B 124.83(14) . . ?
O8B Tb2B O11B 137.77(14) . . ?
O12B Tb2B O11B 52.20(14) . . ?
O3B Tb2B O7B 74.53(13) . . ?
O6B Tb2B O7B 70.67(13) . . ?
O2B Tb2B O7B 73.68(13) . . ?
O8B Tb2B O7B 52.34(13) . . ?
O12B Tb2B O7B 160.67(13) . . ?
O11B Tb2B O7B 136.99(13) . . ?
O3B Tb2B N4B 144.39(15) . . ?
O6B Tb2B N4B 81.50(15) . . ?
O2B Tb2B N4B 138.42(15) . . ?
O8B Tb2B N4B 75.57(14) . . ?
O12B Tb2B N4B 73.17(14) . . ?
O11B Tb2B N4B 70.53(14) . . ?
O7B Tb2B N4B 124.26(13) . . ?
O3B Tb2B N3B 145.42(14) . . ?
O6B Tb2B N3B 136.63(15) . . ?
O2B Tb2B N3B 75.06(14) . . ?
O8B Tb2B N3B 68.80(14) . . ?
O12B Tb2B N3B 71.63(14) . . ?
O11B Tb2B N3B 115.24(14) . . ?
O7B Tb2B N3B 106.81(14) . . ?
N4B Tb2B N3B 64.07(16) . . ?
O3B Tb2B C46B 88.74(15) . . ?
O6B Tb2B C46B 97.79(15) . . ?
O2B Tb2B C46B 109.68(15) . . ?
O8B Tb2B C46B 141.59(14) . . ?
O12B Tb2B C46B 26.49(15) . . ?
O11B Tb2B C46B 26.17(15) . . ?
O7B Tb2B C46B 161.25(15) . . ?
N4B Tb2B C46B 66.09(15) . . ?
N3B Tb2B C46B 91.75(16) . . ?
O3B Tb2B C28B 100.93(15) . . ?
O6B Tb2B C28B 74.65(15) . . ?
O2B Tb2B C28B 83.30(16) . . ?
O8B Tb2B C28B 26.03(15) . . ?
O12B Tb2B C28B 157.48(15) . . ?
O11B Tb2B C28B 147.18(15) . . ?
O7B Tb2B C28B 26.47(14) . . ?
N4B Tb2B C28B 100.59(16) . . ?
N3B Tb2B C28B 86.11(15) . . ?
C46B Tb2B C28B 165.86(16) . . ?
O3B Tb2B Tb1B 38.85(10) . . ?
O6B Tb2B Tb1B 69.03(10) . . ?
O2B Tb2B Tb1B 69.04(9) . . ?
O8B Tb2B Tb1B 87.65(9) . . ?
O12B Tb2B Tb1B 132.66(10) . . ?
O11B Tb2B Tb1B 108.92(9) . . ?
O7B Tb2B Tb1B 35.69(9) . . ?
N4B Tb2B Tb1B 148.62(11) . . ?
N3B Tb2B Tb1B 133.81(11) . . ?
C46B Tb2B Tb1B 126.97(11) . . ?
C28B Tb2B Tb1B 62.09(12) . . ?
C1B O1B Tb1B 137.0(4) . . ?
C1B O2B Tb2B 135.0(4) . . ?
C10B O3B Tb2B 161.4(4) . . ?
C10B O3B Tb1B 92.2(3) . . ?
Tb2B O3B Tb1B 106.20(15) . . ?
C10B O4B Tb1B 96.1(3) . . ?
C18B O5B Tb1B 134.4(4) . . ?
C18B O6B Tb2B 136.4(4) . . ?
C28B O7B Tb1B 163.7(4) . . ?
C28B O7B Tb2B 90.5(3) . . ?
Tb1B O7B Tb2B 105.03(15) . . ?
C28B O8B Tb2B 96.8(3) . . ?
C37B O9B Tb1B 91.9(4) . . ?
C37B O10B Tb1B 95.2(4) . . ?
C46B O11B Tb2B 91.8(3) . . ?
C46B O12B Tb2B 94.6(3) . . ?
C55B N1B C59B 117.8(6) . . ?
C55B N1B Tb1B 121.2(4) . . ?
C59B N1B Tb1B 121.0(4) . . ?
C66B N2B C60B 118.1(5) . . ?
C66B N2B Tb1B 122.5(4) . . ?
C60B N2B Tb1B 119.5(4) . . ?
C67B N3B C71B 118.4(5) . . ?
C67B N3B Tb2B 122.9(4) . . ?
C71B N3B Tb2B 118.7(4) . . ?
C78B N4B C72B 118.6(5) . . ?
C78B N4B Tb2B 121.7(4) . . ?
C72B N4B Tb2B 119.6(4) . . ?
O1B C1B O2B 125.3(5) . . ?
O1B C1B C2B 117.7(5) . . ?
O2B C1B C2B 116.8(5) . . ?
C3B C2B C4B 111.5(5) . . ?
C3B C2B C1B 113.4(5) . . ?
C4B C2B C1B 112.4(5) . . ?
C3B C2B H2B 106.3 . . ?
C4B C2B H2B 106.3 . . ?
C1B C2B H2B 106.3 . . ?
C2B C3B H3BA 109.5 . . ?
C2B C3B H3BB 109.5 . . ?
H3BA C3B H3BB 109.5 . . ?
C2B C3B H3BC 109.5 . . ?
H3BA C3B H3BC 109.5 . . ?
H3BB C3B H3BC 109.5 . . ?
C5B C4B C9B 117.7(6) . . ?
C5B C4B C2B 120.5(6) . . ?
C9B C4B C2B 121.7(5) . . ?
C4B C5B C6B 121.0(7) . . ?
C4B C5B H5B 119.5 . . ?
C6B C5B H5B 119.5 . . ?
C7B C6B C5B 121.1(7) . . ?
C7B C6B H6B 119.4 . . ?
C5B C6B H6B 119.4 . . ?
C8B C7B C6B 118.4(7) . . ?
C8B C7B H7B 120.8 . . ?
C6B C7B H7B 120.8 . . ?
C7B C8B C9B 120.9(7) . . ?
C7B C8B H8B 119.6 . . ?
C9B C8B H8B 119.6 . . ?
C4B C9B C8B 120.8(7) . . ?
C4B C9B H9B 119.6 . . ?
C8B C9B H9B 119.6 . . ?
O4B C10B O3B 120.0(5) . . ?
O4B C10B C11B 122.2(5) . . ?
O3B C10B C11B 117.8(5) . . ?
O4B C10B Tb1B 58.6(3) . . ?
O3B C10B Tb1B 61.4(3) . . ?
C11B C10B Tb1B 175.1(4) . . ?
C10B C11B C12B 111.7(5) . . ?
C10B C11B C13B 108.2(4) . . ?
C12B C11B C13B 112.0(5) . . ?
C10B C11B H11B 108.3 . . ?
C12B C11B H11B 108.3 . . ?
C13B C11B H11B 108.3 . . ?
C11B C12B H12D 109.5 . . ?
C11B C12B H12E 109.5 . . ?
H12D C12B H12E 109.5 . . ?
C11B C12B H12F 109.5 . . ?
H12D C12B H12F 109.5 . . ?
H12E C12B H12F 109.5 . . ?
C14B C13B C19B 118.5(5) . . ?
C14B C13B C11B 121.9(5) . . ?
C19B C13B C11B 119.7(5) . . ?
C13B C14B C15B 122.1(6) . . ?
C13B C14B H14B 118.9 . . ?
C15B C14B H14B 118.9 . . ?
C14B C15B C16B 118.9(6) . . ?
C14B C15B H15B 120.5 . . ?
C16B C15B H15B 120.5 . . ?
C17B C16B C15B 120.3(6) . . ?
C17B C16B H16B 119.8 . . ?
C15B C16B H16B 119.8 . . ?
C16B C17B C19B 120.0(6) . . ?
C16B C17B H17B 120.0 . . ?
C19B C17B H17B 120.0 . . ?
O6B C18B O5B 126.2(5) . . ?
O6B C18B C20B 115.6(5) . . ?
O5B C18B C20B 118.1(5) . . ?
C17B C19B C13B 120.1(6) . . ?
C17B C19B H19B 119.9 . . ?
C13B C19B H19B 119.9 . . ?
C22B C20B C18B 116.2(5) . . ?
C22B C20B C21B 112.2(5) . . ?
C18B C20B C21B 106.3(5) . . ?
C22B C20B H20B 107.2 . . ?
C18B C20B H20B 107.2 . . ?
C21B C20B H20B 107.2 . . ?
C20B C21B H21D 109.5 . . ?
C20B C21B H21E 109.5 . . ?
H21D C21B H21E 109.5 . . ?
C20B C21B H21F 109.5 . . ?
H21D C21B H21F 109.5 . . ?
H21E C21B H21F 109.5 . . ?
C23B C22B C27B 118.4(7) . . ?
C23B C22B C20B 119.0(7) . . ?
C27B C22B C20B 122.5(6) . . ?
C22B C23B C24B 121.3(9) . . ?
C22B C23B H23B 119.3 . . ?
C24B C23B H23B 119.3 . . ?
C25B C24B C23B 119.3(8) . . ?
C25B C24B H24B 120.4 . . ?
C23B C24B H24B 120.4 . . ?
C24B C25B C26B 121.2(8) . . ?
C24B C25B H25B 119.4 . . ?
C26B C25B H25B 119.4 . . ?
C25B C26B C27B 118.8(8) . . ?
C25B C26B H26B 120.6 . . ?
C27B C26B H26B 120.6 . . ?
C22B C27B C26B 121.0(7) . . ?
C22B C27B H27B 119.5 . . ?
C26B C27B H27B 119.5 . . ?
O8B C28B O7B 119.6(5) . . ?
O8B C28B C29B 119.0(5) . . ?
O7B C28B C29B 121.2(5) . . ?
O8B C28B Tb2B 57.1(3) . . ?
O7B C28B Tb2B 63.0(3) . . ?
C29B C28B Tb2B 167.4(4) . . ?
C30B C29B C31B 115.5(6) . . ?
C30B C29B C28B 109.5(5) . . ?
C31B C29B C28B 105.9(5) . . ?
C30B C29B H29B 108.6 . . ?
C31B C29B H29B 108.6 . . ?
C28B C29B H29B 108.6 . . ?
C29B C30B H30D 109.5 . . ?
C29B C30B H30E 109.5 . . ?
H30D C30B H30E 109.5 . . ?
C29B C30B H30F 109.5 . . ?
H30D C30B H30F 109.5 . . ?
H30E C30B H30F 109.5 . . ?
C36B C31B C32B 118.1(6) . . ?
C36B C31B C29B 119.6(6) . . ?
C32B C31B C29B 122.2(6) . . ?
C33B C32B C31B 121.7(7) . . ?
C33B C32B H32B 119.2 . . ?
C31B C32B H32B 119.2 . . ?
C34B C33B C32B 119.6(7) . . ?
C34B C33B H33B 120.2 . . ?
C32B C33B H33B 120.2 . . ?
C33B C34B C35B 119.6(7) . . ?
C33B C34B H34B 120.2 . . ?
C35B C34B H34B 120.2 . . ?
C34B C35B C36B 120.5(8) . . ?
C34B C35B H35B 119.8 . . ?
C36B C35B H35B 119.8 . . ?
C31B C36B C35B 120.4(7) . . ?
C31B C36B H36B 119.8 . . ?
C35B C36B H36B 119.8 . . ?
O10B C37B O9B 119.8(6) . . ?
O10B C37B C38B 120.3(6) . . ?
O9B C37B C38B 120.0(6) . . ?
O10B C37B Tb1B 58.7(3) . . ?
O9B C37B Tb1B 61.6(3) . . ?
C38B C37B Tb1B 173.5(5) . . ?
C38B C39B H39D 109.5 . . ?
C38B C39B H39E 109.5 . . ?
H39D C39B H39E 109.5 . . ?
C38B C39B H39F 109.5 . . ?
H39D C39B H39F 109.5 . . ?
H39E C39B H39F 109.5 . . ?
C37B C38B C39B 109.5(6) . . ?
C37B C38B C40B 109.4(6) . . ?
C39B C38B C40B 113.7(7) . . ?
C37B C38B H38B 108.0 . . ?
C39B C38B H38B 108.0 . . ?
C40B C38B H38B 108.0 . . ?
C41B C40B C45B 117.6(8) . . ?
C41B C40B C38B 122.0(6) . . ?
C45B C40B C38B 120.3(8) . . ?
C40B C41B C42B 121.0(8) . . ?
C40B C41B H41B 119.5 . . ?
C42B C41B H41B 119.5 . . ?
C43B C42B C41B 120.6(11) . . ?
C43B C42B H42B 119.7 . . ?
C41B C42B H42B 119.7 . . ?
C44B C43B C42B 118.7(10) . . ?
C44B C43B H43B 120.7 . . ?
C42B C43B H43B 120.7 . . ?
C43B C44B C45B 122.1(9) . . ?
C43B C44B H44B 118.9 . . ?
C45B C44B H44B 118.9 . . ?
C44B C45B C40B 119.9(10) . . ?
C44B C45B H45B 120.1 . . ?
C40B C45B H45B 120.1 . . ?
O11B C46B O12B 119.3(5) . . ?
O11B C46B C47B 121.7(5) . . ?
O12B C46B C47B 119.1(5) . . ?
O11B C46B Tb2B 62.0(3) . . ?
O12B C46B Tb2B 58.9(3) . . ?
C47B C46B Tb2B 166.0(4) . . ?
C46B C47B C49B 108.7(5) . . ?
C46B C47B C48B 111.1(5) . . ?
C49B C47B C48B 113.1(5) . . ?
C46B C47B H47B 107.9 . . ?
C49B C47B H47B 107.9 . . ?
C48B C47B H47B 107.9 . . ?
C47B C48B H48D 109.5 . . ?
C47B C48B H48E 109.5 . . ?
H48D C48B H48E 109.5 . . ?
C47B C48B H48F 109.5 . . ?
H48D C48B H48F 109.5 . . ?
H48E C48B H48F 109.5 . . ?
C54B C49B C50B 119.3(6) . . ?
C54B C49B C47B 119.6(6) . . ?
C50B C49B C47B 120.9(6) . . ?
C49B C50B C51B 119.2(7) . . ?
C49B C50B H50B 120.4 . . ?
C51B C50B H50B 120.4 . . ?
C52B C51B C50B 120.4(8) . . ?
C52B C51B H51B 119.8 . . ?
C50B C51B H51B 119.8 . . ?
C53B C52B C51B 120.0(7) . . ?
C53B C52B H52B 120.0 . . ?
C51B C52B H52B 120.0 . . ?
C52B C53B C54B 119.9(7) . . ?
C52B C53B H53B 120.0 . . ?
C54B C53B H53B 120.0 . . ?
C53B C54B C49B 121.2(7) . . ?
C53B C54B H54B 119.4 . . ?
C49B C54B H54B 119.4 . . ?
N1B C55B C56B 124.0(7) . . ?
N1B C55B H55B 118.0 . . ?
C56B C55B H55B 118.0 . . ?
C57B C56B C55B 118.1(7) . . ?
C57B C56B H56B 120.9 . . ?
C55B C56B H56B 120.9 . . ?
C56B C57B C58B 119.8(6) . . ?
C56B C57B H57B 120.1 . . ?
C58B C57B H57B 120.1 . . ?
C57B C58B C59B 118.1(6) . . ?
C57B C58B C61B 123.4(6) . . ?
C59B C58B C61B 118.4(7) . . ?
N1B C59B C60B 118.1(6) . . ?
N1B C59B C58B 122.0(6) . . ?
C60B C59B C58B 119.9(6) . . ?
N2B C60B C63B 121.4(7) . . ?
N2B C60B C59B 118.4(6) . . ?
C63B C60B C59B 120.1(6) . . ?
C62B C61B C58B 121.9(6) . . ?
C62B C61B H61B 119.1 . . ?
C58B C61B H61B 119.1 . . ?
C61B C62B C63B 120.8(6) . . ?
C61B C62B H62B 119.6 . . ?
C63B C62B H62B 119.6 . . ?
C64B C63B C60B 117.5(6) . . ?
C64B C63B C62B 123.6(6) . . ?
C60B C63B C62B 118.8(7) . . ?
C65B C64B C63B 121.7(6) . . ?
C65B C64B H64B 119.1 . . ?
C63B C64B H64B 119.1 . . ?
C64B C65B C66B 117.0(7) . . ?
C64B C65B H65B 121.5 . . ?
C66B C65B H65B 121.5 . . ?
N2B C66B C65B 124.2(6) . . ?
N2B C66B H66B 117.9 . . ?
C65B C66B H66B 117.9 . . ?
N3B C67B C68B 123.4(6) . . ?
N3B C67B H67B 118.3 . . ?
C68B C67B H67B 118.3 . . ?
C69B C68B C67B 118.4(6) . . ?
C69B C68B H68B 120.8 . . ?
C67B C68B H68B 120.8 . . ?
C68B C69B C70B 120.1(6) . . ?
C68B C69B H69B 120.0 . . ?
C70B C69B H69B 120.0 . . ?
C69B C70B C71B 117.6(6) . . ?
C69B C70B C73B 122.5(6) . . ?
C71B C70B C73B 119.7(6) . . ?
N3B C71B C70B 122.0(6) . . ?
N3B C71B C72B 118.6(5) . . ?
C70B C71B C72B 119.4(5) . . ?
N4B C72B C75B 121.9(6) . . ?
N4B C72B C71B 118.6(5) . . ?
C75B C72B C71B 119.5(6) . . ?
C74B C73B C70B 120.8(6) . . ?
C74B C73B H73B 119.6 . . ?
C70B C73B H73B 119.6 . . ?
C73B C74B C75B 121.5(6) . . ?
C73B C74B H74B 119.2 . . ?
C75B C74B H74B 119.2 . . ?
C76B C75B C72B 117.5(6) . . ?
C76B C75B C74B 123.4(6) . . ?
C72B C75B C74B 119.1(6) . . ?
C77B C76B C75B 120.3(6) . . ?
C77B C76B H76B 119.9 . . ?
C75B C76B H76B 119.9 . . ?
C76B C77B C78B 118.8(6) . . ?
C76B C77B H77B 120.6 . . ?
C78B C77B H77B 120.6 . . ?
N4B C78B C77B 122.8(6) . . ?
N4B C78B H78B 118.6 . . ?
C77B C78B H78B 118.6 . . ?
C1L O1L H1OL 111(5) . . ?
O2L C1L O1L 123.4(7) . . ?
O2L C1L C2L 124.9(6) . . ?
O1L C1L C2L 111.6(6) . . ?
C4L C2L C3L 113.5(5) . . ?
C4L C2L C1L 109.8(5) . . ?
C3L C2L C1L 110.2(6) . . ?
C4L C2L H2L 107.7 . . ?
C3L C2L H2L 107.7 . . ?
C1L C2L H2L 107.7 . . ?
C2L C3L H3LA 109.5 . . ?
C2L C3L H3LB 109.5 . . ?
H3LA C3L H3LB 109.5 . . ?
C2L C3L H3LC 109.5 . . ?
H3LA C3L H3LC 109.5 . . ?
H3LB C3L H3LC 109.5 . . ?
C9L C4L C5L 120.0(7) . . ?
C9L C4L C2L 119.5(7) . . ?
C5L C4L C2L 120.5(6) . . ?
C6L C5L C4L 119.9(8) . . ?
C6L C5L H5L 120.1 . . ?
C4L C5L H5L 120.1 . . ?
C5L C6L C7L 120.7(9) . . ?
C5L C6L H6L 119.7 . . ?
C7L C6L H6L 119.7 . . ?
C8L C7L C6L 119.6(8) . . ?
C8L C7L H7L 120.2 . . ?
C6L C7L H7L 120.2 . . ?
C7L C8L C9L 120.8(8) . . ?
C7L C8L H8L 119.6 . . ?
C9L C8L H8L 119.6 . . ?
C4L C9L C8L 119.1(9) . . ?
C4L C9L H9L 120.5 . . ?
C8L C9L H9L 120.5 . . ?
C10L O3L H3OL 111(5) . . ?
O4L C10L O3L 123.2(7) . . ?
O4L C10L C11L 123.6(7) . . ?
O3L C10L C11L 113.1(7) . . ?
C13L C11L C10L 114.4(11) . . ?
C13L C11L C12L 110.3(10) . . ?
C10L C11L C12L 110.6(7) . . ?
C10L C11L C13K 106.7(10) . . ?
C12L C11L C13K 109.0(10) . . ?
C13L C11L H11L 107.1 . . ?
C10L C11L H11L 107.1 . . ?
C12L C11L H11L 107.1 . . ?
C11L C12L H12G 109.5 . . ?
C11L C12L H12H 109.5 . . ?
H12G C12L H12H 109.5 . . ?
C11L C12L H12I 109.5 . . ?
H12G C12L H12I 109.5 . . ?
H12H C12L H12I 109.5 . . ?
C14L C13L C18L 120.0 . . ?
C14L C13L C11L 122.0(13) . . ?
C18L C13L C11L 117.8(13) . . ?
C13L C14L C15L 120.0 . . ?
C13L C14L H14L 120.0 . . ?
C15L C14L H14L 120.0 . . ?
C16L C15L C14L 120.0 . . ?
C16L C15L H15L 120.0 . . ?
C14L C15L H15L 120.0 . . ?
C17L C16L C15L 120.0 . . ?
C17L C16L H16L 120.0 . . ?
C15L C16L H16L 120.0 . . ?
C16L C17L C18L 120.0 . . ?
C16L C17L H17L 120.0 . . ?
C18L C17L H17L 120.0 . . ?
C17L C18L C13L 120.0 . . ?
C17L C18L H18L 120.0 . . ?
C13L C18L H18L 120.0 . . ?
C14K C13K C18K 120.0 . . ?
C14K C13K C11L 122.0(12) . . ?
C18K C13K C11L 117.9(12) . . ?
C13K C14K C15K 120.0 . . ?
C13K C14K H14K 120.0 . . ?
C15K C14K H14K 120.0 . . ?
C16K C15K C14K 120.0 . . ?
C16K C15K H15K 120.0 . . ?
C14K C15K H15K 120.0 . . ?
C17K C16K C15K 120.0 . . ?
C17K C16K H16K 120.0 . . ?
C15K C16K H16K 120.0 . . ?
C16K C17K C18K 120.0 . . ?
C16K C17K H17K 120.0 . . ?
C18K C17K H17K 120.0 . . ?
C17K C18K C13K 120.0 . . ?
C17K C18K H18K 120.0 . . ?
C13K C18K H18K 120.0 . . ?
C19L O5L H5OL 115(10) . . ?
O6L C19L O5L 122.9(9) . . ?
O6L C19L C20L 125.3(10) . . ?
O5L C19L C20L 111.8(10) . . ?
C21L C20L C19L 110.3(12) . . ?
C21L C20L C22L 116.7(16) . . ?
C19L C20L C22L 104.4(13) . . ?
C21L C20L H20L 108.4 . . ?
C19L C20L H20L 108.4 . . ?
C22L C20L H20L 108.4 . . ?
C20L C21L H21G 109.5 . . ?
C20L C21L H21H 109.5 . . ?
H21G C21L H21H 109.5 . . ?
C20L C21L H21I 109.5 . . ?
H21G C21L H21I 109.5 . . ?
H21H C21L H21I 109.5 . . ?
C27L C22L C23L 114(2) . . ?
C27L C22L C20L 121(2) . . ?
C23L C22L C20L 124.5(18) . . ?
C24L C23L C22L 129(2) . . ?
C24L C23L H23L 115.6 . . ?
C22L C23L H23L 115.6 . . ?
C23L C24L C25L 116(2) . . ?
C23L C24L H24L 121.9 . . ?
C25L C24L H24L 121.9 . . ?
C26L C25L C24L 118.1(19) . . ?
C26L C25L H25L 121.0 . . ?
C24L C25L H25L 121.0 . . ?
C25L C26L C27L 121.7(18) . . ?
C25L C26L H26L 119.1 . . ?
C27L C26L H26L 119.1 . . ?
C22L C27L C26L 120(2) . . ?
C22L C27L H27L 119.8 . . ?
C26L C27L H27L 119.8 . . ?
C19K O5K H5OK 127(10) . . ?
O6K C19K O5K 125.6(18) . . ?
O6K C19K C20K 120(2) . . ?
O5K C19K C20K 114(2) . . ?
C22K C20K C21K 107(2) . . ?
C22K C20K C19K 109.1(16) . . ?
C21K C20K C19K 141(2) . . ?
C22K C20K H20K 95.4 . . ?
C21K C20K H20K 95.4 . . ?
C19K C20K H20K 95.4 . . ?
C20K C21K H21J 109.5 . . ?
C20K C21K H21K 109.5 . . ?
H21J C21K H21K 109.5 . . ?
C20K C21K H21L 109.5 . . ?
H21J C21K H21L 109.5 . . ?
H21K C21K H21L 109.5 . . ?
C23K C22K C27K 120.0 . . ?
C23K C22K C20K 125.8(18) . . ?
C27K C22K C20K 114.0(18) . . ?
C22K C23K C24K 120.0 . . ?
C22K C23K H23K 120.0 . . ?
C24K C23K H23K 120.0 . . ?
C25K C24K C23K 120.0 . . ?
C25K C24K H24K 120.0 . . ?
C23K C24K H24K 120.0 . . ?
C24K C25K C26K 120.0 . . ?
C24K C25K H25K 120.0 . . ?
C26K C25K H25K 120.0 . . ?
C27K C26K C25K 120.0 . . ?
C27K C26K H26K 120.0 . . ?
C25K C26K H26K 120.0 . . ?
C26K C27K C22K 120.0 . . ?
C26K C27K H27K 120.0 . . ?
C22K C27K H27K 120.0 . . ?
C28L O7L H7OL 118.7(12) . . ?
O8L C28L O7L 122.1(7) . . ?
O8L C28L C29L 125.2(8) . . ?
O7L C28L C29L 112.7(7) . . ?
C31L C29L C28L 112.7(6) . . ?
C31L C29L C30L 111.4(7) . . ?
C28L C29L C30L 110.9(7) . . ?
C31L C29L H29L 107.2 . . ?
C28L C29L H29L 107.2 . . ?
C30L C29L H29L 107.2 . . ?
C29L C30L H30G 109.5 . . ?
C29L C30L H30H 109.5 . . ?
H30G C30L H30H 109.5 . . ?
C29L C30L H30I 109.5 . . ?
H30G C30L H30I 109.5 . . ?
H30H C30L H30I 109.5 . . ?
C32L C31L C36L 118.5(7) . . ?
C32L C31L C29L 121.3(7) . . ?
C36L C31L C29L 120.0(7) . . ?
C31L C32L C33L 120.8(7) . . ?
C31L C32L H32L 119.6 . . ?
C33L C32L H32L 119.6 . . ?
C34L C33L C32L 120.1(8) . . ?
C34L C33L H33L 120.0 . . ?
C32L C33L H33L 120.0 . . ?
C33L C34L C35L 120.5(8) . . ?
C33L C34L H34L 119.8 . . ?
C35L C34L H34L 119.8 . . ?
C34L C35L C36L 119.5(8) . . ?
C34L C35L H35L 120.2 . . ?
C36L C35L H35L 120.2 . . ?
C31L C36L C35L 120.6(8) . . ?
C31L C36L H36L 119.7 . . ?
C35L C36L H36L 119.7 . . ?
C37L O9L H9OL 117(5) . . ?
O10L C37L O9L 124.7(6) . . ?
O10L C37L C38L 124.8(7) . . ?
O9L C37L C38L 110.5(6) . . ?
C39L C38L C40L 114.4(6) . . ?
C39L C38L C37L 111.7(6) . . ?
C40L C38L C37L 106.4(5) . . ?
C39L C38L H38L 108.0 . . ?
C40L C38L H38L 108.0 . . ?
C37L C38L H38L 108.0 . . ?
C38L C39L H39G 109.5 . . ?
C38L C39L H39H 109.5 . . ?
H39G C39L H39H 109.5 . . ?
C38L C39L H39I 109.5 . . ?
H39G C39L H39I 109.5 . . ?
H39H C39L H39I 109.5 . . ?
C45L C40L C41L 117.3(6) . . ?
C45L C40L C38L 120.2(6) . . ?
C41L C40L C38L 122.5(6) . . ?
C42L C41L C40L 120.9(7) . . ?
C42L C41L H41L 119.6 . . ?
C40L C41L H41L 119.6 . . ?
C41L C42L C43L 121.2(6) . . ?
C41L C42L H42L 119.4 . . ?
C43L C42L H42L 119.4 . . ?
C42L C43L C44L 118.6(7) . . ?
C42L C43L H43L 120.7 . . ?
C44L C43L H43L 120.7 . . ?
C43L C44L C45L 120.1(7) . . ?
C43L C44L H44L 120.0 . . ?
C45L C44L H44L 120.0 . . ?
C40L C45L C44L 122.0(6) . . ?
C40L C45L H45L 119.0 . . ?
C44L C45L H45L 119.0 . . ?

_refine_diff_density_max         2.645
_refine_diff_density_min         -1.306
_refine_diff_density_rms         0.119


_exptl_crystal_preparation       ', Magnetic properties,Luminescent'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_R-2
_database_code_depnum_ccdc_archive 'CCDC 1521198'
_audit_update_record             
;
2017-02-24 deposited with the CCDC.
2017-04-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C201 H190 Eu4 N8 O34'
_chemical_formula_weight         3869.44

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'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

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

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

_cell_length_a                   17.5789(10)
_cell_length_b                   19.2932(11)
_cell_length_c                   26.7404(13)
_cell_angle_alpha                90
_cell_angle_beta                 99.993(2)
_cell_angle_gamma                90
_cell_volume                     8931.5(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9679
_cell_measurement_theta_min      2.35
_cell_measurement_theta_max      32.41

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.439
_exptl_crystal_F_000             3952
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.254
_exptl_crystal_size_mid          0.187
_exptl_crystal_size_min          0.098
_exptl_absorpt_coefficient_mu    1.462
_shelx_estimated_absorpt_T_min   0.708
_shelx_estimated_absorpt_T_max   0.870
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6338
_exptl_absorpt_correction_T_max  0.7467
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            313592
_diffrn_reflns_av_unetI/netI     0.0426
_diffrn_reflns_av_R_equivalents  0.0491
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_theta_min         2.248
_diffrn_reflns_theta_max         30.591
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             54633
_reflns_number_gt                48876
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.944
_reflns_Friedel_fraction_max     0.992
_reflns_Friedel_fraction_full    0.996

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0277P)²+5.1978P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 21579 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.006(2)
_chemical_absolute_configuration rmad
_refine_ls_number_reflns         54633
_refine_ls_number_parameters     2292
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0410
_refine_ls_R_factor_gt           0.0317
_refine_ls_wR_factor_ref         0.0694
_refine_ls_wR_factor_gt          0.0655
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_restrained_S_all      1.027
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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
Eu1A Eu 0.30992(2) 0.43233(2) 0.57152(2) 0.01319(4) Uani 1 1 d . . . . .
Eu2A Eu 0.19362(2) 0.46877(2) 0.68351(2) 0.01340(5) Uani 1 1 d . . . . .
O1A O 0.19898(16) 0.36139(16) 0.56318(10) 0.0202(6) Uani 1 1 d . . . . .
O2A O 0.14206(16) 0.37499(15) 0.63120(10) 0.0185(6) Uani 1 1 d . . . . .
O3A O 0.19712(15) 0.50186(14) 0.59928(9) 0.0160(6) Uani 1 1 d . . . . .
O4A O 0.21884(16) 0.51382(15) 0.52151(10) 0.0214(6) Uani 1 1 d . . . . .
O5A O 0.36444(15) 0.52625(15) 0.62399(10) 0.0189(6) Uani 1 1 d . . . . .
O6A O 0.30325(16) 0.53951(16) 0.69005(10) 0.0205(6) Uani 1 1 d . . . . .
O7A O 0.31679(16) 0.39196(15) 0.65636(10) 0.0186(6) Uani 1 1 d . . . . .
O8A O 0.29088(17) 0.39895(16) 0.73408(10) 0.0239(6) Uani 1 1 d . . . . .
O9A O 0.35770(17) 0.31263(15) 0.56367(10) 0.0211(6) Uani 1 1 d D . . . .
O10A O 0.44530(16) 0.39483(16) 0.57913(11) 0.0242(6) Uani 1 1 d . . . . .
O11A O 0.13606(16) 0.58748(14) 0.68076(10) 0.0200(6) Uani 1 1 d . . . . .
O12A O 0.05571(16) 0.50035(15) 0.67693(12) 0.0241(6) Uani 1 1 d . . . . .
N1A N 0.29503(18) 0.39344(17) 0.47709(11) 0.0145(6) Uani 1 1 d . . . . .
N2A N 0.37755(19) 0.50850(18) 0.51041(12) 0.0196(7) Uani 1 1 d . . . . .
N3A N 0.13499(19) 0.38753(18) 0.74436(11) 0.0181(6) Uani 1 1 d . . . . .
N4A N 0.19688(18) 0.51352(18) 0.77461(12) 0.0165(6) Uani 1 1 d . . . . .
C1A C 0.1437(2) 0.3540(2) 0.58698(14) 0.0167(8) Uani 1 1 d . . . . .
C2A C 0.0721(2) 0.3174(2) 0.55835(15) 0.0252(9) Uani 1 1 d . . . . .
H2A H 0.087968 0.292884 0.528853 0.030 Uiso 1 1 calc R U . . .
C3A C 0.0136(3) 0.3734(3) 0.5367(2) 0.0522(16) Uani 1 1 d . . . . .
H3AA H 0.036931 0.404409 0.514567 0.078 Uiso 1 1 calc R U . . .
H3AB H -0.001245 0.400214 0.564633 0.078 Uiso 1 1 calc R U . . .
H3AC H -0.032355 0.351428 0.517072 0.078 Uiso 1 1 calc R U . . .
C4A C 0.0400(3) 0.2633(3) 0.58999(16) 0.0296(10) Uani 1 1 d . . . . .
C5A C -0.0122(3) 0.2783(4) 0.6214(2) 0.0495(15) Uani 1 1 d . . . . .
H5A H -0.029681 0.324450 0.624613 0.059 Uiso 1 1 calc R U . . .
C6A C -0.0398(4) 0.2226(5) 0.6492(2) 0.064(2) Uani 1 1 d . . . . .
H6A H -0.076012 0.231587 0.670911 0.077 Uiso 1 1 calc R U . . .
C7A C -0.0140(4) 0.1573(4) 0.6443(3) 0.063(2) Uani 1 1 d . . . . .
H7A H -0.032473 0.120769 0.662824 0.075 Uiso 1 1 calc R U . . .
C8A C 0.0374(4) 0.1429(4) 0.6137(3) 0.065(2) Uani 1 1 d . . . . .
H8A H 0.054680 0.096628 0.610940 0.077 Uiso 1 1 calc R U . . .
C9A C 0.0647(3) 0.1951(3) 0.5866(2) 0.0442(13) Uani 1 1 d . . . . .
H9A H 0.101014 0.184414 0.565196 0.053 Uiso 1 1 calc R U . . .
C10A C 0.1873(2) 0.5348(2) 0.55751(14) 0.0166(7) Uani 1 1 d . . . . .
C11A C 0.1375(2) 0.5997(2) 0.55130(14) 0.0204(8) Uani 1 1 d . . . . .
H11A H 0.128596 0.613972 0.585777 0.024 Uiso 1 1 calc R U . . .
C12A C 0.0591(2) 0.5807(2) 0.51972(17) 0.0259(9) Uani 1 1 d . . . . .
H12A H 0.066328 0.564786 0.486060 0.039 Uiso 1 1 calc R U . . .
H12B H 0.025352 0.621481 0.516094 0.039 Uiso 1 1 calc R U . . .
H12C H 0.035316 0.543599 0.536789 0.039 Uiso 1 1 calc R U . . .
C13A C 0.1805(2) 0.6583(2) 0.53006(15) 0.0196(8) Uani 1 1 d . . . . .
C14A C 0.1480(3) 0.6980(2) 0.48912(17) 0.0281(9) Uani 1 1 d . . . . .
H14A H 0.096872 0.688408 0.472320 0.034 Uiso 1 1 calc R U . . .
C15A C 0.1896(3) 0.7523(3) 0.4720(2) 0.0372(11) Uani 1 1 d . . . . .
H15A H 0.166429 0.779324 0.443770 0.045 Uiso 1 1 calc R U . . .
C16A C 0.2640(3) 0.7669(3) 0.4958(2) 0.0358(11) Uani 1 1 d . . . . .
H16A H 0.291838 0.804305 0.484471 0.043 Uiso 1 1 calc R U . . .
C17A C 0.2974(3) 0.7264(3) 0.5362(2) 0.0347(11) Uani 1 1 d . . . . .
H17A H 0.349021 0.735245 0.552382 0.042 Uiso 1 1 calc R U . . .
C18A C 0.2561(3) 0.6732(2) 0.55336(17) 0.0294(10) Uani 1 1 d . . . . .
H18A H 0.279578 0.646131 0.581534 0.035 Uiso 1 1 calc R U . . .
C19A C 0.3584(2) 0.5500(2) 0.66685(15) 0.0171(7) Uani 1 1 d . . . . .
C20A C 0.4245(3) 0.5944(3) 0.69502(16) 0.0281(10) Uani 1 1 d . . . . .
H20A H 0.399561 0.632105 0.712062 0.034 Uiso 1 1 calc R U . A 1
C21A C 0.4720(3) 0.6306(3) 0.66016(18) 0.0306(10) Uani 1 1 d . . . . .
H21A H 0.494943 0.595835 0.640543 0.046 Uiso 1 1 calc R U . . .
H21B H 0.513149 0.657796 0.680622 0.046 Uiso 1 1 calc R U . . .
H21C H 0.438497 0.661408 0.636907 0.046 Uiso 1 1 calc R U . . .
C22A C 0.4706(3) 0.5558(3) 0.7349(2) 0.0184(11) Uani 0.7 1 d . . P B 1
C23A C 0.4866(4) 0.4861(4) 0.7307(3) 0.0367(16) Uani 0.7 1 d . . P B 1
H23A H 0.467131 0.462544 0.699934 0.044 Uiso 0.7 1 calc R U P B 1
C24A C 0.5303(4) 0.4500(4) 0.7702(3) 0.0415(18) Uani 0.7 1 d . . P B 1
H24A H 0.540035 0.401999 0.766413 0.050 Uiso 0.7 1 calc R U P B 1
C25A C 0.5597(4) 0.4831(5) 0.8149(3) 0.0375(17) Uani 0.7 1 d . . P B 1
H25A H 0.588893 0.457754 0.842127 0.045 Uiso 0.7 1 calc R U P B 1
C26A C 0.5470(4) 0.5523(4) 0.8203(2) 0.0332(15) Uani 0.7 1 d . . P B 1
H26A H 0.568336 0.575611 0.850789 0.040 Uiso 0.7 1 calc R U P B 1
C27A C 0.5025(4) 0.5884(3) 0.7807(2) 0.0283(13) Uani 0.7 1 d . . P B 1
H27A H 0.493471 0.636410 0.784708 0.034 Uiso 0.7 1 calc R U P B 1
C22C C 0.4880(7) 0.5286(7) 0.7273(5) 0.053(2) Uani 0.3 1 d G . P B 2
C23C C 0.5201(7) 0.4780(8) 0.7003(4) 0.053(2) Uani 0.3 1 d G . P B 2
H23C H 0.507968 0.477104 0.664237 0.063 Uiso 0.3 1 calc R U P B 2
C24C C 0.5699(6) 0.4288(7) 0.7260(5) 0.053(2) Uani 0.3 1 d G . P B 2
H24C H 0.591824 0.394230 0.707490 0.063 Uiso 0.3 1 calc R U P B 2
C25C C 0.5877(7) 0.4301(7) 0.7787(5) 0.053(2) Uani 0.3 1 d G . P B 2
H25C H 0.621711 0.396456 0.796226 0.063 Uiso 0.3 1 calc R U P B 2
C26C C 0.5556(9) 0.4807(9) 0.8057(4) 0.053(2) Uani 0.3 1 d G . P B 2
H26C H 0.567742 0.481558 0.841709 0.063 Uiso 0.3 1 calc R U P B 2
C27C C 0.5058(8) 0.5299(8) 0.7800(5) 0.053(2) Uani 0.3 1 d G . P B 2
H27C H 0.483885 0.564434 0.798457 0.063 Uiso 0.3 1 calc R U P B 2
C28A C 0.3274(2) 0.3728(2) 0.70255(14) 0.0176(8) Uani 1 1 d . . . . .
C29A C 0.3829(2) 0.3134(2) 0.72209(14) 0.0180(7) Uani 1 1 d . . . . .
H29A H 0.413066 0.327993 0.755623 0.022 Uiso 1 1 calc R U . . .
C30A C 0.4409(2) 0.2945(2) 0.68768(16) 0.0260(9) Uani 1 1 d . . . . .
H30A H 0.413916 0.271084 0.657180 0.039 Uiso 1 1 calc R U . . .
H30B H 0.480429 0.263599 0.705976 0.039 Uiso 1 1 calc R U . . .
H30C H 0.465446 0.336818 0.677869 0.039 Uiso 1 1 calc R U . . .
C31A C 0.3345(2) 0.2511(2) 0.73143(14) 0.0199(8) Uani 1 1 d . . . . .
C32A C 0.2747(3) 0.2283(3) 0.69424(19) 0.0325(10) Uani 1 1 d . . . . .
H32A H 0.263630 0.252129 0.662733 0.039 Uiso 1 1 calc R U . . .
C33A C 0.2312(3) 0.1714(3) 0.7025(2) 0.0396(12) Uani 1 1 d . . . . .
H33A H 0.189929 0.156863 0.676878 0.048 Uiso 1 1 calc R U . . .
C34A C 0.2471(3) 0.1352(3) 0.7479(2) 0.0370(12) Uani 1 1 d . . . . .
H34A H 0.216997 0.096021 0.753518 0.044 Uiso 1 1 calc R U . . .
C35A C 0.3075(3) 0.1569(3) 0.78513(19) 0.0352(11) Uani 1 1 d . . . . .
H35A H 0.319228 0.132071 0.816204 0.042 Uiso 1 1 calc R U . . .
C36A C 0.3509(3) 0.2145(2) 0.77717(16) 0.0261(9) Uani 1 1 d . . . . .
H36A H 0.391973 0.229270 0.802885 0.031 Uiso 1 1 calc R U . . .
C37A C 0.4266(2) 0.3336(2) 0.56669(15) 0.0230(9) Uani 1 1 d . . . . .
C38A C 0.4871(3) 0.2840(2) 0.55159(16) 0.0272(9) Uani 1 1 d . . . . .
H38A H 0.466683 0.235721 0.552177 0.033 Uiso 1 1 calc R U . . .
C39A C 0.5635(3) 0.2874(3) 0.58816(18) 0.0418(13) Uani 1 1 d . . . . .
H39A H 0.601897 0.258946 0.575142 0.063 Uiso 1 1 calc R U . . .
H39B H 0.556481 0.270002 0.621473 0.063 Uiso 1 1 calc R U . . .
H39C H 0.581433 0.335600 0.591446 0.063 Uiso 1 1 calc R U . . .
C40A C 0.4932(2) 0.3019(2) 0.49664(16) 0.0244(8) Uani 1 1 d . . . . .
C41A C 0.5404(3) 0.3559(3) 0.48600(18) 0.0320(10) Uani 1 1 d . . . . .
H41A H 0.568977 0.382403 0.512804 0.038 Uiso 1 1 calc R U . . .
C42A C 0.5453(3) 0.3710(3) 0.43512(19) 0.0398(12) Uani 1 1 d . . . . .
H42A H 0.577851 0.407424 0.427543 0.048 Uiso 1 1 calc R U . . .
C43A C 0.5030(3) 0.3331(3) 0.39633(18) 0.0422(13) Uani 1 1 d . . . . .
H43A H 0.506819 0.343313 0.362104 0.051 Uiso 1 1 calc R U . . .
C44A C 0.4557(3) 0.2811(3) 0.40666(18) 0.0365(11) Uani 1 1 d . . . . .
H44A H 0.426226 0.255450 0.379715 0.044 Uiso 1 1 calc R U . . .
C45A C 0.4505(3) 0.2657(2) 0.45692(18) 0.0308(10) Uani 1 1 d . . . . .
H45A H 0.417086 0.229602 0.463919 0.037 Uiso 1 1 calc R U . . .
C46A C 0.0692(2) 0.5637(2) 0.68227(14) 0.0182(8) Uani 1 1 d . . . . .
C47A C 0.0062(3) 0.6137(3) 0.69227(16) 0.0282(10) Uani 1 1 d . . . . .
H47A H 0.032451 0.655196 0.709933 0.034 Uiso 1 1 calc R U . . .
C48A C -0.0427(3) 0.5812(4) 0.7278(2) 0.0533(16) Uani 1 1 d . . . . .
H48A H -0.080185 0.615241 0.735755 0.080 Uiso 1 1 calc R U . . .
H48B H -0.009174 0.566585 0.759209 0.080 Uiso 1 1 calc R U . . .
H48C H -0.070107 0.540837 0.711266 0.080 Uiso 1 1 calc R U . . .
C49A C -0.0400(2) 0.6385(2) 0.64163(16) 0.0224(9) Uani 1 1 d . . . . .
C50A C -0.1068(3) 0.6059(3) 0.61870(18) 0.0342(10) Uani 1 1 d . . . . .
H50A H -0.125119 0.566627 0.634474 0.041 Uiso 1 1 calc R U . . .
C51A C -0.1478(3) 0.6299(3) 0.57268(19) 0.0400(12) Uani 1 1 d . . . . .
H51A H -0.194226 0.607431 0.557657 0.048 Uiso 1 1 calc R U . . .
C52A C -0.1216(3) 0.6853(3) 0.54906(17) 0.0368(12) Uani 1 1 d . . . . .
H52A H -0.149441 0.701248 0.517505 0.044 Uiso 1 1 calc R U . . .
C53A C -0.0546(3) 0.7182(3) 0.57112(18) 0.0356(11) Uani 1 1 d . . . . .
H53A H -0.035864 0.756713 0.554678 0.043 Uiso 1 1 calc R U . . .
C54A C -0.0144(3) 0.6951(2) 0.61748(17) 0.0276(9) Uani 1 1 d . . . . .
H54A H 0.031387 0.718411 0.632790 0.033 Uiso 1 1 calc R U . . .
C55A C 0.2552(2) 0.3369(2) 0.46036(14) 0.0181(7) Uani 1 1 d . . . . .
H55A H 0.232743 0.310497 0.484015 0.022 Uiso 1 1 calc R U . . .
C56A C 0.2444(2) 0.3141(2) 0.40977(14) 0.0203(8) Uani 1 1 d . . . . .
H56A H 0.215640 0.273260 0.399667 0.024 Uiso 1 1 calc R U . . .
C57A C 0.2761(2) 0.3521(2) 0.37524(14) 0.0197(8) Uani 1 1 d . . . . .
H57A H 0.269807 0.337796 0.340783 0.024 Uiso 1 1 calc R U . . .
C58A C 0.3180(2) 0.4123(2) 0.39124(13) 0.0174(8) Uani 1 1 d . . . . .
C59A C 0.32669(18) 0.4311(2) 0.44276(12) 0.0139(6) Uani 1 1 d . . . . .
C60A C 0.3703(2) 0.4922(2) 0.46092(13) 0.0172(7) Uani 1 1 d . . . . .
C61A C 0.3521(2) 0.4552(2) 0.35686(14) 0.0200(8) Uani 1 1 d . . . . .
H61A H 0.345119 0.443344 0.321880 0.024 Uiso 1 1 calc R U . . .
C62A C 0.3935(2) 0.5116(2) 0.37358(15) 0.0220(8) Uani 1 1 d . . . . .
H62A H 0.416259 0.538472 0.350332 0.026 Uiso 1 1 calc R U . . .
C63A C 0.4040(2) 0.5320(2) 0.42588(15) 0.0193(8) Uani 1 1 d . . . . .
C64A C 0.4450(3) 0.5913(3) 0.44398(18) 0.0319(11) Uani 1 1 d . . . . .
H64A H 0.468256 0.619598 0.421747 0.038 Uiso 1 1 calc R U . . .
C65A C 0.4512(3) 0.6082(3) 0.49400(18) 0.0395(12) Uani 1 1 d . . . . .
H65A H 0.478689 0.648620 0.506996 0.047 Uiso 1 1 calc R U . . .
C66A C 0.4168(3) 0.5655(3) 0.52609(16) 0.0321(10) Uani 1 1 d . . . . .
H66A H 0.421748 0.578016 0.560866 0.039 Uiso 1 1 calc R U . . .
C67A C 0.1086(3) 0.3250(2) 0.73100(16) 0.0288(10) Uani 1 1 d . . . . .
H67A H 0.108680 0.310541 0.697040 0.035 Uiso 1 1 calc R U . . .
C68A C 0.0806(3) 0.2785(3) 0.76373(18) 0.0394(12) Uani 1 1 d . . . . .
H68A H 0.062545 0.233855 0.752218 0.047 Uiso 1 1 calc R U . . .
C69A C 0.0797(3) 0.2988(3) 0.81266(17) 0.0360(11) Uani 1 1 d . . . . .
H69A H 0.060752 0.268401 0.835587 0.043 Uiso 1 1 calc R U . . .
C70A C 0.1071(2) 0.3648(2) 0.82874(15) 0.0252(9) Uani 1 1 d . . . . .
C71A C 0.1360(2) 0.4080(2) 0.79331(14) 0.0170(8) Uani 1 1 d . . . . .
C72A C 0.1678(2) 0.4744(2) 0.80921(13) 0.0168(7) Uani 1 1 d . . . . .
C73A C 0.1087(3) 0.3892(3) 0.87940(15) 0.0292(10) Uani 1 1 d . . . . .
H73A H 0.088304 0.360813 0.902889 0.035 Uiso 1 1 calc R U . . .
C74A C 0.1387(3) 0.4517(2) 0.89463(15) 0.0271(10) Uani 1 1 d . . . . .
H74A H 0.139832 0.466349 0.928679 0.033 Uiso 1 1 calc R U . . .
C75A C 0.1687(2) 0.4961(2) 0.85973(14) 0.0204(8) Uani 1 1 d . . . . .
C76A C 0.2020(2) 0.5613(2) 0.87390(15) 0.0253(9) Uani 1 1 d . . . . .
H76A H 0.203757 0.578214 0.907463 0.030 Uiso 1 1 calc R U . . .
C77A C 0.2316(2) 0.6001(2) 0.83896(16) 0.0243(9) Uani 1 1 d . . . . .
H77A H 0.254130 0.644060 0.848122 0.029 Uiso 1 1 calc R U . . .
C78A C 0.2285(2) 0.5746(2) 0.78970(15) 0.0205(8) Uani 1 1 d . . . . .
H78A H 0.249720 0.601964 0.765966 0.025 Uiso 1 1 calc R U . . .
Eu1B Eu 0.19446(2) 0.48027(2) 0.18583(2) 0.01485(5) Uani 1 1 d . . . . .
Eu2B Eu 0.29141(2) 0.42757(2) 0.07052(2) 0.01429(4) Uani 1 1 d . . . . .
O1B O 0.13998(16) 0.37745(15) 0.14818(10) 0.0200(6) Uani 1 1 d . . . . .
O2B O 0.18411(17) 0.35547(15) 0.07623(11) 0.0210(6) Uani 1 1 d . . . . .
O3B O 0.30325(15) 0.40944(14) 0.15796(9) 0.0162(5) Uani 1 1 d . . . . .
O4B O 0.29534(15) 0.40679(15) 0.23896(10) 0.0204(6) Uani 1 1 d . . . . .
O5B O 0.30120(17) 0.55252(16) 0.18141(11) 0.0211(6) Uani 1 1 d . . . . .
O6B O 0.35286(16) 0.52719(15) 0.11281(10) 0.0202(6) Uani 1 1 d . . . . .
O7B O 0.18347(16) 0.50087(15) 0.09721(10) 0.0179(6) Uani 1 1 d . . . . .
O8B O 0.18647(16) 0.48785(16) 0.01616(10) 0.0227(6) Uani 1 1 d . . . . .
O10B O 0.13247(17) 0.59852(15) 0.17368(11) 0.0244(6) Uani 1 1 d D . . . .
O9B O 0.05544(17) 0.50886(15) 0.17261(12) 0.0262(7) Uani 1 1 d . . . . .
O11B O 0.42161(16) 0.38296(16) 0.06397(11) 0.0226(6) Uani 1 1 d D . . . .
O12B O 0.34174(16) 0.30399(15) 0.08294(10) 0.0211(6) Uani 1 1 d D . . . .
N1B N 0.13621(17) 0.42341(19) 0.25989(11) 0.0206(6) Uani 1 1 d . . . . .
N2B N 0.2109(2) 0.5471(2) 0.27199(13) 0.0238(8) Uani 1 1 d . . . . .
N3B N 0.28153(18) 0.36757(18) -0.01715(12) 0.0171(7) Uani 1 1 d . . . . .
N4B N 0.34350(18) 0.49756(17) 0.00025(11) 0.0174(6) Uani 1 1 d . . . . .
C1B C 0.1347(2) 0.3508(2) 0.10476(14) 0.0185(8) Uani 1 1 d . . . . .
C2B C 0.0599(2) 0.3123(2) 0.08231(15) 0.0224(8) Uani 1 1 d . . . . .
H2B H 0.074476 0.271938 0.062532 0.027 Uiso 1 1 calc R U . . .
C3B C 0.0120(3) 0.3625(3) 0.04435(17) 0.0346(11) Uani 1 1 d . . . . .
H3BA H 0.041578 0.374982 0.017788 0.052 Uiso 1 1 calc R U . . .
H3BB H 0.000414 0.404511 0.062260 0.052 Uiso 1 1 calc R U . . .
H3BC H -0.036351 0.340028 0.028902 0.052 Uiso 1 1 calc R U . . .
C4B C 0.0139(2) 0.2847(2) 0.12094(16) 0.0259(9) Uani 1 1 d . . . . .
C5B C -0.0257(3) 0.3272(3) 0.14923(17) 0.0311(10) Uani 1 1 d . . . . .
H5B H -0.022194 0.376077 0.146027 0.037 Uiso 1 1 calc R U . . .
C6B C -0.0709(3) 0.2993(3) 0.18250(18) 0.0422(13) Uani 1 1 d . . . . .
H6B H -0.097499 0.329202 0.201795 0.051 Uiso 1 1 calc R U . . .
C7B C -0.0768(3) 0.2284(3) 0.1873(2) 0.0473(15) Uani 1 1 d . . . . .
H7B H -0.107940 0.209395 0.209633 0.057 Uiso 1 1 calc R U . . .
C8B C -0.0371(3) 0.1851(3) 0.1595(2) 0.0508(15) Uani 1 1 d . . . . .
H8B H -0.041132 0.136224 0.162532 0.061 Uiso 1 1 calc R U . . .
C9B C 0.0086(3) 0.2132(3) 0.1272(2) 0.0390(11) Uani 1 1 d . . . . .
H9B H 0.036791 0.183123 0.109052 0.047 Uiso 1 1 calc R U . . .
C10B C 0.3293(2) 0.3896(2) 0.20350(13) 0.0146(7) Uani 1 1 d . . . . .
C11B C 0.4041(2) 0.3477(2) 0.21262(14) 0.0178(7) Uani 1 1 d . . . . .
H11B H 0.406946 0.320874 0.180980 0.021 Uiso 1 1 calc R U . . .
C12B C 0.4060(2) 0.2958(2) 0.25607(16) 0.0266(9) Uani 1 1 d . . . . .
H12D H 0.363629 0.262530 0.247397 0.040 Uiso 1 1 calc R U . . .
H12E H 0.400170 0.320591 0.287162 0.040 Uiso 1 1 calc R U . . .
H12F H 0.455414 0.271010 0.261483 0.040 Uiso 1 1 calc R U . . .
C13B C 0.4719(2) 0.3981(2) 0.22132(14) 0.0187(8) Uani 1 1 d . . . . .
C14B C 0.4862(2) 0.4393(2) 0.26470(15) 0.0238(8) Uani 1 1 d . . . . .
H14B H 0.452648 0.436379 0.288886 0.029 Uiso 1 1 calc R U . . .
C15B C 0.5482(2) 0.4841(3) 0.27328(18) 0.0311(9) Uani 1 1 d . . . . .
H15B H 0.556326 0.512538 0.302723 0.037 Uiso 1 1 calc R U . . .
C16B C 0.5988(2) 0.4876(3) 0.23859(19) 0.0351(11) Uani 1 1 d . . . . .
H16B H 0.642595 0.517181 0.244783 0.042 Uiso 1 1 calc R U . . .
C17B C 0.5847(2) 0.4476(2) 0.19518(17) 0.0322(10) Uani 1 1 d . . . . .
H17B H 0.618497 0.450487 0.171100 0.039 Uiso 1 1 calc R U . . .
C18B C 0.5219(2) 0.4032(2) 0.18640(15) 0.0240(8) Uani 1 1 d . . . . .
H18B H 0.512801 0.376060 0.156319 0.029 Uiso 1 1 calc R U . . .
C19B C 0.3546(2) 0.5549(2) 0.15575(15) 0.0174(8) Uani 1 1 d . . . . .
C20B C 0.4303(2) 0.5910(2) 0.17956(14) 0.0185(8) Uani 1 1 d . . . . .
H20B H 0.471313 0.554440 0.183472 0.022 Uiso 1 1 calc R U . . .
C21B C 0.4280(3) 0.6185(2) 0.23328(15) 0.0264(9) Uani 1 1 d . . . . .
H21D H 0.389716 0.655767 0.231338 0.040 Uiso 1 1 calc R U . . .
H21E H 0.478990 0.636406 0.248298 0.040 Uiso 1 1 calc R U . . .
H21F H 0.413694 0.580783 0.254413 0.040 Uiso 1 1 calc R U . . .
C22B C 0.4554(2) 0.6465(2) 0.14561(15) 0.0202(8) Uani 1 1 d . . . . .
C23B C 0.4302(3) 0.7145(2) 0.14684(19) 0.0348(11) Uani 1 1 d . . . . .
H23B H 0.393632 0.726331 0.167763 0.042 Uiso 1 1 calc R U . . .
C24B C 0.4577(3) 0.7660(3) 0.1178(2) 0.0432(13) Uani 1 1 d . . . . .
H24B H 0.439708 0.812312 0.118934 0.052 Uiso 1 1 calc R U . . .
C25B C 0.5107(3) 0.7497(3) 0.08755(18) 0.0418(13) Uani 1 1 d . . . . .
H25B H 0.529767 0.784580 0.067929 0.050 Uiso 1 1 calc R U . . .
C26B C 0.5359(3) 0.6828(3) 0.08583(18) 0.0428(14) Uani 1 1 d . . . . .
H26B H 0.572732 0.671472 0.065024 0.051 Uiso 1 1 calc R U . . .
C27B C 0.5080(3) 0.6311(2) 0.11435(16) 0.0280(9) Uani 1 1 d . . . . .
H27B H 0.525376 0.584782 0.112241 0.034 Uiso 1 1 calc R U . . .
C28B C 0.1594(2) 0.5173(2) 0.05101(14) 0.0184(8) Uani 1 1 d . . . . .
C29B C 0.1025(2) 0.5764(2) 0.03805(15) 0.0254(9) Uani 1 1 d . . . . .
H29B H 0.079757 0.587592 0.068869 0.030 Uiso 1 1 calc R U . . .
C30B C 0.0368(3) 0.5542(3) -0.00466(18) 0.0357(11) Uani 1 1 d . . . . .
H30D H 0.001151 0.593034 -0.013573 0.054 Uiso 1 1 calc R U . . .
H30E H 0.008943 0.514971 0.006912 0.054 Uiso 1 1 calc R U . . .
H30F H 0.058503 0.540314 -0.034528 0.054 Uiso 1 1 calc R U . . .
C31B C 0.1489(3) 0.6387(2) 0.02563(16) 0.0255(9) Uani 1 1 d . . . . .
C32B C 0.1382(3) 0.6678(3) -0.02302(18) 0.0358(11) Uani 1 1 d . . . . .
H32B H 0.099407 0.649825 -0.048933 0.043 Uiso 1 1 calc R U . . .
C33B C 0.1838(4) 0.7226(3) -0.0338(2) 0.0485(14) Uani 1 1 d . . . . .
H33B H 0.175435 0.742489 -0.066811 0.058 Uiso 1 1 calc R U . . .
C34B C 0.2414(4) 0.7484(3) 0.0035(2) 0.0524(15) Uani 1 1 d . . . . .
H34B H 0.273891 0.784868 -0.004140 0.063 Uiso 1 1 calc R U . . .
C35B C 0.2515(4) 0.7206(3) 0.0523(2) 0.0499(14) Uani 1 1 d . . . . .
H35B H 0.290050 0.738853 0.078222 0.060 Uiso 1 1 calc R U . . .
C36B C 0.2053(3) 0.6662(3) 0.06289(18) 0.0357(11) Uani 1 1 d . . . . .
H36B H 0.212566 0.647494 0.096249 0.043 Uiso 1 1 calc R U . . .
C37B C 0.0658(2) 0.5732(2) 0.17296(16) 0.0226(9) Uani 1 1 d . . . . .
C38B C -0.0028(3) 0.6225(2) 0.17264(19) 0.0314(10) Uani 1 1 d . . . . .
H38B H 0.016908 0.667409 0.188540 0.047 Uiso 1 1 calc R U . C 1
C39B C -0.0604(3) 0.5917(3) 0.2034(2) 0.0365(11) Uani 1 1 d . . . . .
H39D H -0.105828 0.621861 0.200483 0.055 Uiso 1 1 calc R U . . .
H39E H -0.035978 0.587999 0.239107 0.055 Uiso 1 1 calc R U . . .
H39F H -0.076281 0.545580 0.190190 0.055 Uiso 1 1 calc R U . . .
C40B C -0.0421(5) 0.6367(4) 0.1152(3) 0.0230(16) Uani 0.7 1 d . . P D 1
C41B C -0.0996(6) 0.5961(4) 0.0886(3) 0.0309(18) Uani 0.7 1 d . . P D 1
H41B H -0.116232 0.556199 0.104505 0.037 Uiso 0.7 1 calc R U P D 1
C42B C -0.1341(5) 0.6119(4) 0.0388(3) 0.0353(18) Uani 0.7 1 d . . P D 1
H42B H -0.173387 0.582699 0.021202 0.042 Uiso 0.7 1 calc R U P D 1
C43B C -0.1113(5) 0.6700(4) 0.0150(3) 0.0330(17) Uani 0.7 1 d . . P D 1
H43B H -0.135572 0.681883 -0.018445 0.040 Uiso 0.7 1 calc R U P D 1
C44B C -0.0526(5) 0.7106(4) 0.0408(3) 0.0290(18) Uani 0.7 1 d . . P D 1
H44B H -0.035831 0.750145 0.024602 0.035 Uiso 0.7 1 calc R U P D 1
C45B C -0.0180(4) 0.6945(4) 0.0897(3) 0.0252(15) Uani 0.7 1 d . . P D 1
H45B H 0.022760 0.722836 0.106467 0.030 Uiso 0.7 1 calc R U P D 1
C40D C -0.0267(12) 0.6475(10) 0.1260(6) 0.039(3) Uani 0.3 1 d G . P D 2
C41D C -0.0911(12) 0.6143(8) 0.0989(7) 0.039(3) Uani 0.3 1 d G . P D 2
H41D H -0.114457 0.577145 0.113969 0.046 Uiso 0.3 1 calc R U P D 2
C42D C -0.1214(9) 0.6356(8) 0.0498(6) 0.039(3) Uani 0.3 1 d G . P D 2
H42D H -0.165466 0.612891 0.031327 0.046 Uiso 0.3 1 calc R U P D 2
C43D C -0.0873(9) 0.6900(8) 0.0278(5) 0.039(3) Uani 0.3 1 d G . P D 2
H43D H -0.107974 0.704476 -0.005771 0.046 Uiso 0.3 1 calc R U P D 2
C44D C -0.0228(9) 0.7231(8) 0.0548(7) 0.039(3) Uani 0.3 1 d G . P D 2
H44D H 0.000527 0.760315 0.039774 0.046 Uiso 0.3 1 calc R U P D 2
C45D C 0.0075(10) 0.7019(10) 0.1039(7) 0.039(3) Uani 0.3 1 d G . P D 2
H45D H 0.051537 0.724569 0.122417 0.046 Uiso 0.3 1 calc R U P D 2
C46B C 0.4028(2) 0.3192(2) 0.06759(14) 0.0190(8) Uani 1 1 d . . . . .
C47B C 0.4557(2) 0.2634(2) 0.05202(15) 0.0240(8) Uani 1 1 d . . . . .
H47B H 0.469326 0.277632 0.018728 0.029 Uiso 1 1 calc R U . . .
C48B C 0.4160(2) 0.1930(2) 0.04441(17) 0.0299(9) Uani 1 1 d . . . . .
H48D H 0.370532 0.196479 0.017556 0.045 Uiso 1 1 calc R U . . .
H48E H 0.400011 0.178460 0.076131 0.045 Uiso 1 1 calc R U . . .
H48F H 0.452033 0.158864 0.034659 0.045 Uiso 1 1 calc R U . . .
C49B C 0.5305(2) 0.2624(2) 0.09113(16) 0.0225(8) Uani 1 1 d . . . . .
C50B C 0.5323(3) 0.2329(2) 0.13868(17) 0.0283(9) Uani 1 1 d . . . . .
H50B H 0.487553 0.210991 0.146778 0.034 Uiso 1 1 calc R U . . .
C51B C 0.6001(3) 0.2354(3) 0.17449(19) 0.0393(12) Uani 1 1 d . . . . .
H51B H 0.601658 0.215255 0.207059 0.047 Uiso 1 1 calc R U . . .
C52B C 0.6655(3) 0.2676(3) 0.1625(2) 0.0457(14) Uani 1 1 d . . . . .
H52B H 0.711644 0.269653 0.186964 0.055 Uiso 1 1 calc R U . . .
C53B C 0.6635(3) 0.2964(3) 0.1153(2) 0.0431(13) Uani 1 1 d . . . . .
H53B H 0.708150 0.318256 0.107042 0.052 Uiso 1 1 calc R U . . .
C54B C 0.5966(3) 0.2935(2) 0.0799(2) 0.0341(10) Uani 1 1 d . . . . .
H54B H 0.595735 0.313034 0.047164 0.041 Uiso 1 1 calc R U . . .
C55B C 0.1004(2) 0.3631(2) 0.25496(16) 0.0275(9) Uani 1 1 d . . . . .
H55B H 0.097612 0.339122 0.223655 0.033 Uiso 1 1 calc R U . . .
C56B C 0.0661(3) 0.3320(3) 0.29304(18) 0.0343(11) Uani 1 1 d . . . . .
H56B H 0.040211 0.288766 0.287294 0.041 Uiso 1 1 calc R U . . .
C57B C 0.0709(3) 0.3657(3) 0.33895(17) 0.0335(11) Uani 1 1 d . . . . .
H57B H 0.048280 0.345798 0.365388 0.040 Uiso 1 1 calc R U . . .
C58B C 0.1092(2) 0.4292(3) 0.34629(14) 0.0269(8) Uani 1 1 d . . . . .
C59B C 0.1415(2) 0.4572(2) 0.30576(14) 0.0226(9) Uani 1 1 d . . . . .
C60B C 0.1816(2) 0.5218(2) 0.31229(14) 0.0219(8) Uani 1 1 d . . . . .
C61B C 0.1207(3) 0.4656(3) 0.39420(15) 0.0319(11) Uani 1 1 d . . . . .
H61B H 0.100410 0.446535 0.421910 0.038 Uiso 1 1 calc R U . . .
C62B C 0.1594(3) 0.5260(3) 0.40032(15) 0.0324(11) Uani 1 1 d . . . . .
H62B H 0.166448 0.548570 0.432351 0.039 Uiso 1 1 calc R U . . .
C63B C 0.1905(2) 0.5569(3) 0.35925(15) 0.0266(9) Uani 1 1 d . . . . .
C64B C 0.2299(3) 0.6199(3) 0.36394(17) 0.0345(11) Uani 1 1 d . . . . .
H64B H 0.237266 0.644555 0.395171 0.041 Uiso 1 1 calc R U . . .
C65B C 0.2578(3) 0.6459(3) 0.32311(19) 0.0378(12) Uani 1 1 d . . . . .
H65B H 0.283960 0.689196 0.325476 0.045 Uiso 1 1 calc R U . . .
C66B C 0.2474(3) 0.6078(3) 0.27756(18) 0.0319(10) Uani 1 1 d . . . . .
H66B H 0.267386 0.626213 0.249530 0.038 Uiso 1 1 calc DR U . . .
C67B C 0.2489(2) 0.3059(2) -0.02614(15) 0.0231(8) Uani 1 1 d . . . . .
H67B H 0.225400 0.285159 -0.000420 0.028 Uiso 1 1 calc R U . . .
C68B C 0.2474(3) 0.2695(2) -0.07199(16) 0.0287(9) Uani 1 1 d . . . . .
H68B H 0.224203 0.225013 -0.076868 0.034 Uiso 1 1 calc R U . . .
C69B C 0.2802(3) 0.3000(3) -0.10937(16) 0.0294(10) Uani 1 1 d . . . . .
H69B H 0.280350 0.276372 -0.140536 0.035 Uiso 1 1 calc R U . . .
C70B C 0.3135(2) 0.3657(2) -0.10171(15) 0.0230(8) Uani 1 1 d . . . . .
C71B C 0.3137(2) 0.3985(2) -0.05437(14) 0.0186(8) Uani 1 1 d . . . . .
C72B C 0.3457(2) 0.4669(2) -0.04523(14) 0.0183(7) Uani 1 1 d . . . . .
C73B C 0.3459(3) 0.4019(3) -0.14035(15) 0.0294(10) Uani 1 1 d . . . . .
H73B H 0.346300 0.380211 -0.172179 0.035 Uiso 1 1 calc R U . . .
C74B C 0.3752(2) 0.4654(3) -0.13206(16) 0.0303(10) Uani 1 1 d . . . . .
H74B H 0.396218 0.487933 -0.158161 0.036 Uiso 1 1 calc R U . . .
C75B C 0.3759(2) 0.5006(2) -0.08452(14) 0.0241(9) Uani 1 1 d . . . . .
C76B C 0.4019(2) 0.5691(3) -0.07597(16) 0.0298(10) Uani 1 1 d . . . . .
H76B H 0.422856 0.593426 -0.101345 0.036 Uiso 1 1 calc R U . . .
C77B C 0.3968(2) 0.6006(2) -0.03088(16) 0.0278(9) Uani 1 1 d . . . . .
H77B H 0.412557 0.647467 -0.024995 0.033 Uiso 1 1 calc R U . . .
C78B C 0.3681(2) 0.5628(2) 0.00659(15) 0.0228(8) Uani 1 1 d . . . . .
H78B H 0.365981 0.584871 0.038088 0.027 Uiso 1 1 calc R U . . .
O1L O 0.2831(2) 0.19485(19) 0.55828(15) 0.0410(9) Uani 1 1 d D . . . .
H1OL H 0.314(2) 0.2272(15) 0.561(2) 0.061 Uiso 1 1 d D U . . .
O2L O 0.39111(19) 0.14535(19) 0.59965(15) 0.0433(9) Uani 1 1 d . . . . .
C1L C 0.3238(3) 0.1419(3) 0.5802(2) 0.0367(11) Uani 1 1 d . . . . .
C2L C 0.2769(3) 0.0756(3) 0.5775(2) 0.0485(15) Uani 1 1 d . . . . .
H2L H 0.222076 0.087936 0.579044 0.058 Uiso 1 1 calc R U . . .
C3L C 0.3069(4) 0.0278(3) 0.6223(3) 0.0586(17) Uani 1 1 d . . . . .
H3LA H 0.270713 -0.010747 0.622888 0.088 Uiso 1 1 calc R U . . .
H3LB H 0.311582 0.053946 0.654062 0.088 Uiso 1 1 calc R U . . .
H3LC H 0.357606 0.009475 0.618516 0.088 Uiso 1 1 calc R U . . .
C4L C 0.2787(4) 0.0387(3) 0.5285(3) 0.0608(18) Uani 1 1 d . U . . .
C5L C 0.2195(6) -0.0069(4) 0.5085(4) 0.096(3) Uani 1 1 d . . . . .
H5L H 0.176799 -0.013857 0.525338 0.115 Uiso 1 1 calc R U . . .
C6L C 0.2239(9) -0.0423(5) 0.4633(5) 0.136(6) Uani 1 1 d . . . . .
H6L H 0.183703 -0.073782 0.450497 0.163 Uiso 1 1 calc R U . . .
C7L C 0.2829(9) -0.0337(6) 0.4368(5) 0.132(6) Uani 1 1 d . . . . .
H7L H 0.282906 -0.057268 0.405634 0.159 Uiso 1 1 calc R U . . .
C8L C 0.3427(6) 0.0101(5) 0.4567(4) 0.108(4) Uani 1 1 d . . . . .
H8L H 0.385751 0.016415 0.440078 0.130 Uiso 1 1 calc R U . . .
C9L C 0.3384(5) 0.0451(4) 0.5020(3) 0.075(2) Uani 1 1 d . U . . .
H9L H 0.379628 0.075387 0.515316 0.090 Uiso 1 1 calc R U . . .
O3L O 0.8247(2) 0.21273(19) 0.33903(15) 0.0440(9) Uani 1 1 d D . . . .
H3OL H 0.833(4) 0.1752(14) 0.328(2) 0.066 Uiso 1 1 d D U . . .
O4L O 0.7240(3) 0.2106(2) 0.27827(17) 0.0668(14) Uani 1 1 d . . . . .
C10L C 0.7601(3) 0.2376(2) 0.31447(17) 0.0265(9) Uani 1 1 d . . . . .
C11L C 0.7366(3) 0.3045(2) 0.33822(17) 0.0284(9) Uani 1 1 d . . . . .
H11L H 0.737544 0.295467 0.375148 0.034 Uiso 1 1 calc R U . . .
C12L C 0.6542(3) 0.3251(3) 0.3147(2) 0.0426(13) Uani 1 1 d . . . . .
H12G H 0.651538 0.334367 0.278452 0.064 Uiso 1 1 calc R U . . .
H12H H 0.639426 0.366907 0.331559 0.064 Uiso 1 1 calc R U . . .
H12I H 0.618799 0.287253 0.319180 0.064 Uiso 1 1 calc R U . . .
C13L C 0.7955(3) 0.3607(2) 0.33403(18) 0.0290(9) Uani 1 1 d . . . . .
C14L C 0.7986(3) 0.3929(3) 0.2878(2) 0.0373(11) Uani 1 1 d . . . . .
H14L H 0.763301 0.379544 0.258290 0.045 Uiso 1 1 calc R U . . .
C15L C 0.8525(3) 0.4441(3) 0.2844(2) 0.0486(13) Uani 1 1 d . . . . .
H15L H 0.854346 0.465122 0.252454 0.058 Uiso 1 1 calc R U . . .
C16L C 0.9030(3) 0.4648(3) 0.3261(3) 0.0541(15) Uani 1 1 d . . . . .
H16L H 0.939687 0.500152 0.323314 0.065 Uiso 1 1 calc R U . . .
C17L C 0.9009(3) 0.4347(3) 0.3719(2) 0.0549(15) Uani 1 1 d . . . . .
H17L H 0.935772 0.449520 0.401135 0.066 Uiso 1 1 calc R U . . .
C18L C 0.8470(3) 0.3815(3) 0.3763(2) 0.0416(12) Uani 1 1 d . . . . .
H18L H 0.846342 0.360141 0.408230 0.050 Uiso 1 1 calc R U . . .
O5L O 0.1367(3) 0.7340(2) 0.1737(2) 0.0401(12) Uani 0.7 1 d D . P E 1
H5OL H 0.136(5) 0.6921(6) 0.177(3) 0.060 Uiso 0.7 1 d D U P F 1
O6L O 0.2647(3) 0.7335(3) 0.1903(2) 0.0375(11) Uani 0.7 1 d . . P E 1
C19L C 0.2052(4) 0.7651(3) 0.1823(3) 0.0337(15) Uani 0.7 1 d D . P E 1
C20L C 0.1963(5) 0.8425(3) 0.1823(3) 0.044(2) Uani 0.7 1 d D U P E 1
H20L H 0.149384 0.855197 0.157084 0.053 Uiso 0.7 1 calc R U P E 1
C21L C 0.2675(6) 0.8764(5) 0.1657(6) 0.092(4) Uani 0.7 1 d . . P E 1
H21G H 0.270023 0.862616 0.130700 0.139 Uiso 0.7 1 calc R U P E 1
H21H H 0.314445 0.861032 0.188238 0.139 Uiso 0.7 1 calc R U P E 1
H21I H 0.263214 0.926909 0.167479 0.139 Uiso 0.7 1 calc R U P E 1
C22L C 0.1820(4) 0.8615(4) 0.2352(2) 0.0809(15) Uani 0.7 1 d G U P E 1
C23L C 0.2381(3) 0.8501(4) 0.2779(3) 0.0809(15) Uani 0.7 1 d G . P E 1
H23L H 0.286997 0.831808 0.274180 0.097 Uiso 0.7 1 calc R U P E 1
C24L C 0.2227(3) 0.8654(4) 0.3259(2) 0.0809(15) Uani 0.7 1 d G . P E 1
H24L H 0.261010 0.857587 0.355052 0.097 Uiso 0.7 1 calc R U P E 1
C25L C 0.1511(4) 0.8921(4) 0.3313(2) 0.0809(15) Uani 0.7 1 d G . P E 1
H25L H 0.140543 0.902590 0.364124 0.097 Uiso 0.7 1 calc R U P E 1
C26L C 0.0950(3) 0.9035(4) 0.2886(3) 0.0809(15) Uani 0.7 1 d G . P E 1
H26L H 0.046063 0.921815 0.292325 0.097 Uiso 0.7 1 calc R U P E 1
C27L C 0.1104(4) 0.8882(4) 0.2406(2) 0.0809(15) Uani 0.7 1 d G . P E 1
H27L H 0.072049 0.896037 0.211452 0.097 Uiso 0.7 1 calc R U P E 1
O5K O 0.2048(7) 0.7171(6) 0.1954(4) 0.028(2) Uani 0.3 1 d D . P G 2
H5OK H 0.183(6) 0.680(3) 0.192(5) 0.043 Uiso 0.3 1 d D U P H 2
O6K O 0.1301(9) 0.7393(6) 0.2533(5) 0.049(3) Uani 0.3 1 d . . P G 2
C19K C 0.1767(12) 0.7583(8) 0.2284(6) 0.042(4) Uani 0.3 1 d . . P G 2
C20K C 0.2100(14) 0.8331(11) 0.2266(6) 0.060(7) Uani 0.3 1 d D . P G 2
H20K H 0.267280 0.830746 0.228444 0.072 Uiso 0.3 1 calc R U P G 2
C21K C 0.1917(16) 0.8752(11) 0.2694(11) 0.092(4) Uani 0.3 1 d D . P G 2
H21J H 0.215261 0.853851 0.301629 0.139 Uiso 0.3 1 calc R U P G 2
H21K H 0.212063 0.922172 0.267388 0.139 Uiso 0.3 1 calc R U P G 2
H21L H 0.135513 0.877292 0.267432 0.139 Uiso 0.3 1 calc R U P G 2
C22K C 0.1744(11) 0.8655(9) 0.1787(7) 0.097(5) Uani 0.3 1 d G . P G 2
C23K C 0.1974(9) 0.8565(8) 0.1320(9) 0.097(5) Uani 0.3 1 d G . P G 2
H23K H 0.243082 0.831135 0.129798 0.116 Uiso 0.3 1 calc R U P G 2
C24K C 0.1537(11) 0.8846(9) 0.0884(7) 0.097(5) Uani 0.3 1 d G . P G 2
H24K H 0.169404 0.878393 0.056434 0.116 Uiso 0.3 1 calc R U P G 2
C25K C 0.0869(10) 0.9217(9) 0.0916(7) 0.097(5) Uani 0.3 1 d G . P G 2
H25K H 0.056979 0.940843 0.061766 0.116 Uiso 0.3 1 calc R U P G 2
C26K C 0.0639(8) 0.9307(8) 0.1383(8) 0.097(5) Uani 0.3 1 d G . P G 2
H26K H 0.018231 0.956034 0.140461 0.116 Uiso 0.3 1 calc R U P G 2
C27K C 0.1076(12) 0.9026(10) 0.1819(7) 0.097(5) Uani 0.3 1 d G . P G 2
H27K H 0.091908 0.908776 0.213825 0.116 Uiso 0.3 1 calc R U P G 2
O7L O 0.53085(17) 0.46644(17) 0.04441(13) 0.0350(7) Uani 1 1 d D . . . .
H7OL H 0.497(2) 0.438(2) 0.0468(19) 0.053 Uiso 1 1 d D U . . .
O8L O 0.5503(2) 0.4087(2) -0.02441(13) 0.0470(9) Uani 1 1 d . . . . .
C28L C 0.5660(3) 0.4552(2) 0.00542(17) 0.0311(9) Uani 1 1 d . . . . .
C29L C 0.6312(3) 0.5078(3) 0.00491(18) 0.0355(10) Uani 1 1 d . . . . .
H29L H 0.612000 0.554387 0.013444 0.043 Uiso 1 1 calc R U . . .
C30L C 0.6542(4) 0.5124(4) -0.0475(2) 0.0592(17) Uani 1 1 d . . . . .
H30G H 0.669300 0.466359 -0.057787 0.089 Uiso 1 1 calc R U . . .
H30H H 0.697685 0.544448 -0.046209 0.089 Uiso 1 1 calc R U . . .
H30I H 0.610212 0.529269 -0.072144 0.089 Uiso 1 1 calc R U . . .
C31L C 0.6970(2) 0.4870(2) 0.04711(17) 0.0295(9) Uani 1 1 d . . . . .
C32L C 0.6991(2) 0.5139(3) 0.09578(18) 0.0337(10) Uani 1 1 d . . . . .
H32L H 0.661550 0.547009 0.101482 0.040 Uiso 1 1 calc R U . . .
C33L C 0.7553(3) 0.4928(3) 0.13597(19) 0.0375(11) Uani 1 1 d . . . . .
H33L H 0.755909 0.511554 0.168892 0.045 Uiso 1 1 calc R U . . .
C34L C 0.8101(3) 0.4448(3) 0.1282(2) 0.0385(11) Uani 1 1 d . . . . .
H34L H 0.848249 0.429889 0.155742 0.046 Uiso 1 1 calc R U . . .
C35L C 0.8091(3) 0.4186(3) 0.0802(2) 0.0410(11) Uani 1 1 d . . . . .
H35L H 0.847476 0.386188 0.074587 0.049 Uiso 1 1 calc R U . . .
C36L C 0.7532(3) 0.4388(3) 0.04003(19) 0.0377(11) Uani 1 1 d . . . . .
H36L H 0.753080 0.419751 0.007263 0.045 Uiso 1 1 calc R U . . .
O9L O 0.3124(2) 0.1995(2) 0.14334(14) 0.0481(9) Uani 1 1 d D . . . .
H9OL H 0.319(4) 0.233(2) 0.124(2) 0.072 Uiso 1 1 d D U . . .
O10L O 0.1963(3) 0.1809(3) 0.0995(2) 0.0790(16) Uani 1 1 d . . . . .
C37L C 0.2471(3) 0.1650(3) 0.1330(2) 0.0419(12) Uani 1 1 d . . . . .
C38L C 0.2440(3) 0.1038(3) 0.1685(2) 0.0410(12) Uani 1 1 d . . . . .
H38L H 0.287034 0.071646 0.164200 0.049 Uiso 1 1 calc R U . . .
C39L C 0.1668(4) 0.0632(3) 0.1535(3) 0.0628(18) Uani 1 1 d . . . . .
H39G H 0.163657 0.044313 0.119198 0.094 Uiso 1 1 calc R U . . .
H39H H 0.123214 0.094651 0.154297 0.094 Uiso 1 1 calc R U . . .
H39I H 0.164956 0.025237 0.177583 0.094 Uiso 1 1 calc R U . . .
C40L C 0.2561(3) 0.1252(2) 0.22388(19) 0.0319(10) Uani 1 1 d . . . . .
C41L C 0.3034(3) 0.0862(3) 0.2604(2) 0.0490(14) Uani 1 1 d . . . . .
H41L H 0.330825 0.047695 0.250358 0.059 Uiso 1 1 calc R U . . .
C42L C 0.3110(3) 0.1032(4) 0.3117(2) 0.0551(16) Uani 1 1 d . . . . .
H42L H 0.343432 0.076298 0.336455 0.066 Uiso 1 1 calc R U . . .
C43L C 0.2712(3) 0.1592(3) 0.3262(2) 0.0484(14) Uani 1 1 d . . . . .
H43L H 0.276192 0.170729 0.361181 0.058 Uiso 1 1 calc R U . . .
C44L C 0.2248(3) 0.1981(3) 0.2908(2) 0.0441(13) Uani 1 1 d . . . . .
H44L H 0.197526 0.236458 0.301195 0.053 Uiso 1 1 calc R U . . .
C45L C 0.2170(3) 0.1819(3) 0.2393(2) 0.0361(11) Uani 1 1 d . . . . .
H45L H 0.185055 0.209528 0.214826 0.043 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1A O1A 2.361(3) . ?
Eu1A O7A 2.382(3) . ?
Eu1A O5A 2.388(3) . ?
Eu1A O10A 2.462(3) . ?
Eu1A O4A 2.466(3) . ?
Eu1A O9A 2.479(3) . ?
Eu1A N1A 2.604(3) . ?
Eu1A O3A 2.606(3) . ?
Eu1A N2A 2.630(3) . ?
Eu1A C37A 2.818(4) . ?
Eu1A C10A 2.900(4) . ?
Eu1A Eu2A 3.9705(3) . ?
Eu2A O6A 2.343(3) . ?
Eu2A O3A 2.352(2) . ?
Eu2A O2A 2.369(3) . ?
Eu2A O8A 2.401(3) . ?
Eu2A O12A 2.476(3) . ?
Eu2A O11A 2.500(3) . ?
Eu2A N4A 2.576(3) . ?
Eu2A N3A 2.598(3) . ?
Eu2A O7A 2.821(3) . ?
Eu2A C46A 2.848(4) . ?
Eu2A C28A 2.967(4) . ?
O1A C1A 1.259(5) . ?
O2A C1A 1.255(5) . ?
O3A C10A 1.270(5) . ?
O4A C10A 1.258(4) . ?
O5A C19A 1.256(4) . ?
O6A C19A 1.255(5) . ?
O7A C28A 1.271(5) . ?
O8A C28A 1.252(5) . ?
O9A C37A 1.267(5) . ?
O10A C37A 1.255(6) . ?
O11A C46A 1.268(5) . ?
O12A C46A 1.248(5) . ?
N1A C55A 1.331(5) . ?
N1A C59A 1.363(5) . ?
N2A C66A 1.327(5) . ?
N2A C60A 1.345(5) . ?
N3A C67A 1.320(6) . ?
N3A C71A 1.364(5) . ?
N4A C78A 1.336(5) . ?
N4A C72A 1.361(5) . ?
C1A C2A 1.527(6) . ?
C2A C4A 1.513(6) . ?
C2A C3A 1.535(7) . ?
C2A H2A 1.0000 . ?
C3A H3AA 0.9800 . ?
C3A H3AB 0.9800 . ?
C3A H3AC 0.9800 . ?
C4A C5A 1.379(7) . ?
C4A C9A 1.395(8) . ?
C5A C6A 1.438(9) . ?
C5A H5A 0.9500 . ?
C6A C7A 1.353(11) . ?
C6A H6A 0.9500 . ?
C7A C8A 1.347(10) . ?
C7A H7A 0.9500 . ?
C8A C9A 1.376(8) . ?
C8A H8A 0.9500 . ?
C9A H9A 0.9500 . ?
C10A C11A 1.521(5) . ?
C11A C13A 1.524(5) . ?
C11A C12A 1.531(6) . ?
C11A H11A 1.0000 . ?
C12A H12A 0.9800 . ?
C12A H12B 0.9800 . ?
C12A H12C 0.9800 . ?
C13A C14A 1.376(6) . ?
C13A C18A 1.397(6) . ?
C14A C15A 1.399(6) . ?
C14A H14A 0.9500 . ?
C15A C16A 1.381(7) . ?
C15A H15A 0.9500 . ?
C16A C17A 1.379(7) . ?
C16A H16A 0.9500 . ?
C17A C18A 1.382(7) . ?
C17A H17A 0.9500 . ?
C18A H18A 0.9500 . ?
C19A C20A 1.532(6) . ?
C20A C22A 1.432(7) . ?
C20A C21A 1.525(6) . ?
C20A C22C 1.808(11) . ?
C20A H20A 1.0000 . ?
C21A H21A 0.9800 . ?
C21A H21B 0.9800 . ?
C21A H21C 0.9800 . ?
C22A C23A 1.382(9) . ?
C22A C27A 1.403(8) . ?
C23A C24A 1.382(9) . ?
C23A H23A 0.9500 . ?
C24A C25A 1.375(11) . ?
C24A H24A 0.9500 . ?
C25A C26A 1.366(12) . ?
C25A H25A 0.9500 . ?
C26A C27A 1.388(9) . ?
C26A H26A 0.9500 . ?
C27A H27A 0.9500 . ?
C22C C23C 1.3900 . ?
C22C C27C 1.3900 . ?
C23C C24C 1.3900 . ?
C23C H23C 0.9500 . ?
C24C C25C 1.3900 . ?
C24C H24C 0.9500 . ?
C25C C26C 1.3900 . ?
C25C H25C 0.9500 . ?
C26C C27C 1.3900 . ?
C26C H26C 0.9500 . ?
C27C H27C 0.9500 . ?
C28A C29A 1.536(5) . ?
C29A C31A 1.518(6) . ?
C29A C30A 1.531(5) . ?
C29A H29A 1.0000 . ?
C30A H30A 0.9800 . ?
C30A H30B 0.9800 . ?
C30A H30C 0.9800 . ?
C31A C32A 1.387(6) . ?
C31A C36A 1.398(6) . ?
C32A C33A 1.376(7) . ?
C32A H32A 0.9500 . ?
C33A C34A 1.387(8) . ?
C33A H33A 0.9500 . ?
C34A C35A 1.388(8) . ?
C34A H34A 0.9500 . ?
C35A C36A 1.386(7) . ?
C35A H35A 0.9500 . ?
C36A H36A 0.9500 . ?
C37A C38A 1.536(6) . ?
C38A C39A 1.519(7) . ?
C38A C40A 1.531(6) . ?
C38A H38A 1.0000 . ?
C39A H39A 0.9800 . ?
C39A H39B 0.9800 . ?
C39A H39C 0.9800 . ?
C40A C45A 1.380(6) . ?
C40A C41A 1.392(6) . ?
C41A C42A 1.409(6) . ?
C41A H41A 0.9500 . ?
C42A C43A 1.377(8) . ?
C42A H42A 0.9500 . ?
C43A C44A 1.362(8) . ?
C43A H43A 0.9500 . ?
C44A C45A 1.395(7) . ?
C44A H44A 0.9500 . ?
C45A H45A 0.9500 . ?
C46A C47A 1.528(5) . ?
C47A C48A 1.522(7) . ?
C47A C49A 1.530(6) . ?
C47A H47A 1.0000 . ?
C48A H48A 0.9800 . ?
C48A H48B 0.9800 . ?
C48A H48C 0.9800 . ?
C49A C50A 1.378(6) . ?
C49A C54A 1.384(6) . ?
C50A C51A 1.393(7) . ?
C50A H50A 0.9500 . ?
C51A C52A 1.362(8) . ?
C51A H51A 0.9500 . ?
C52A C53A 1.378(7) . ?
C52A H52A 0.9500 . ?
C53A C54A 1.390(6) . ?
C53A H53A 0.9500 . ?
C54A H54A 0.9500 . ?
C55A C56A 1.404(5) . ?
C55A H55A 0.9500 . ?
C56A C57A 1.372(6) . ?
C56A H56A 0.9500 . ?
C57A C58A 1.400(5) . ?
C57A H57A 0.9500 . ?
C58A C59A 1.407(5) . ?
C58A C61A 1.442(5) . ?
C59A C60A 1.443(5) . ?
C60A C63A 1.419(5) . ?
C61A C62A 1.342(6) . ?
C61A H61A 0.9500 . ?
C62A C63A 1.434(5) . ?
C62A H62A 0.9500 . ?
C63A C64A 1.394(6) . ?
C64A C65A 1.363(6) . ?
C64A H64A 0.9500 . ?
C65A C66A 1.401(6) . ?
C65A H65A 0.9500 . ?
C66A H66A 0.9500 . ?
C67A C68A 1.401(6) . ?
C67A H67A 0.9500 . ?
C68A C69A 1.368(7) . ?
C68A H68A 0.9500 . ?
C69A C70A 1.401(7) . ?
C69A H69A 0.9500 . ?
C70A C71A 1.421(5) . ?
C70A C73A 1.430(6) . ?
C71A C72A 1.432(6) . ?
C72A C75A 1.412(5) . ?
C73A C74A 1.350(7) . ?
C73A H73A 0.9500 . ?
C74A C75A 1.433(6) . ?
C74A H74A 0.9500 . ?
C75A C76A 1.412(6) . ?
C76A C77A 1.368(6) . ?
C76A H76A 0.9500 . ?
C77A C78A 1.398(5) . ?
C77A H77A 0.9500 . ?
C78A H78A 0.9500 . ?
Eu1B O1B 2.352(3) . ?
Eu1B O5B 2.357(3) . ?
Eu1B O7B 2.378(3) . ?
Eu1B O9B 2.470(3) . ?
Eu1B O4B 2.510(3) . ?
Eu1B O10B 2.525(3) . ?
Eu1B O3B 2.564(2) . ?
Eu1B N2B 2.612(3) . ?
Eu1B N1B 2.622(3) . ?
Eu1B C37B 2.860(4) . ?
Eu1B C10B 2.918(4) . ?
Eu1B Eu2B 3.9076(3) . ?
Eu2B O3B 2.337(2) . ?
Eu2B O2B 2.370(3) . ?
Eu2B O6B 2.391(3) . ?
Eu2B O8B 2.437(3) . ?
Eu2B O11B 2.480(3) . ?
Eu2B O12B 2.545(3) . ?
Eu2B O7B 2.565(3) . ?
Eu2B N3B 2.593(3) . ?
Eu2B N4B 2.606(3) . ?
Eu2B C28B 2.869(4) . ?
Eu2B C46B 2.876(4) . ?
O1B C1B 1.258(5) . ?
O2B C1B 1.255(5) . ?
O3B C10B 1.283(4) . ?
O4B C10B 1.250(4) . ?
O5B C19B 1.256(4) . ?
O6B C19B 1.262(5) . ?
O7B C28B 1.274(5) . ?
O8B C28B 1.253(4) . ?
O10B C37B 1.268(5) . ?
O9B C37B 1.253(5) . ?
O11B C46B 1.282(5) . ?
O12B C46B 1.249(5) . ?
N1B C55B 1.319(6) . ?
N1B C59B 1.378(5) . ?
N2B C66B 1.331(6) . ?
N2B C60B 1.362(5) . ?
N3B C67B 1.325(5) . ?
N3B C71B 1.365(5) . ?
N4B C78B 1.332(5) . ?
N4B C72B 1.359(5) . ?
C1B C2B 1.538(6) . ?
C2B C4B 1.515(6) . ?
C2B C3B 1.543(6) . ?
C2B H2B 1.0000 . ?
C3B H3BA 0.9800 . ?
C3B H3BB 0.9800 . ?
C3B H3BC 0.9800 . ?
C4B C5B 1.383(6) . ?
C4B C9B 1.395(7) . ?
C5B C6B 1.399(6) . ?
C5B H5B 0.9500 . ?
C6B C7B 1.379(8) . ?
C6B H6B 0.9500 . ?
C7B C8B 1.386(9) . ?
C7B H7B 0.9500 . ?
C8B C9B 1.387(8) . ?
C8B H8B 0.9500 . ?
C9B H9B 0.9500 . ?
C10B C11B 1.527(5) . ?
C11B C13B 1.524(5) . ?
C11B C12B 1.529(5) . ?
C11B H11B 1.0000 . ?
C12B H12D 0.9800 . ?
C12B H12E 0.9800 . ?
C12B H12F 0.9800 . ?
C13B C14B 1.392(5) . ?
C13B C18B 1.392(5) . ?
C14B C15B 1.378(6) . ?
C14B H14B 0.9500 . ?
C15B C16B 1.394(6) . ?
C15B H15B 0.9500 . ?
C16B C17B 1.380(7) . ?
C16B H16B 0.9500 . ?
C17B C18B 1.385(6) . ?
C17B H17B 0.9500 . ?
C18B H18B 0.9500 . ?
C19B C20B 1.539(6) . ?
C20B C22B 1.518(5) . ?
C20B C21B 1.539(5) . ?
C20B H20B 1.0000 . ?
C21B H21D 0.9800 . ?
C21B H21E 0.9800 . ?
C21B H21F 0.9800 . ?
C22B C27B 1.382(6) . ?
C22B C23B 1.388(6) . ?
C23B C24B 1.398(7) . ?
C23B H23B 0.9500 . ?
C24B C25B 1.371(8) . ?
C24B H24B 0.9500 . ?
C25B C26B 1.367(8) . ?
C25B H25B 0.9500 . ?
C26B C27B 1.395(7) . ?
C26B H26B 0.9500 . ?
C27B H27B 0.9500 . ?
C28B C29B 1.517(6) . ?
C29B C31B 1.521(6) . ?
C29B C30B 1.538(6) . ?
C29B H29B 1.0000 . ?
C30B H30D 0.9800 . ?
C30B H30E 0.9800 . ?
C30B H30F 0.9800 . ?
C31B C36B 1.384(7) . ?
C31B C32B 1.399(6) . ?
C32B C33B 1.386(8) . ?
C32B H32B 0.9500 . ?
C33B C34B 1.385(9) . ?
C33B H33B 0.9500 . ?
C34B C35B 1.393(8) . ?
C34B H34B 0.9500 . ?
C35B C36B 1.386(7) . ?
C35B H35B 0.9500 . ?
C36B H36B 0.9500 . ?
C37B C38B 1.535(6) . ?
C38B C40D 1.336(15) . ?
C38B C39B 1.530(6) . ?
C38B C40B 1.595(9) . ?
C38B H38B 1.0000 . ?
C39B H39D 0.9800 . ?
C39B H39E 0.9800 . ?
C39B H39F 0.9800 . ?
C40B C41B 1.375(10) . ?
C40B C45B 1.410(8) . ?
C41B C42B 1.400(9) . ?
C41B H41B 0.9500 . ?
C42B C43B 1.381(10) . ?
C42B H42B 0.9500 . ?
C43B C44B 1.380(10) . ?
C43B H43B 0.9500 . ?
C44B C45B 1.378(9) . ?
C44B H44B 0.9500 . ?
C45B H45B 0.9500 . ?
C40D C41D 1.3900 . ?
C40D C45D 1.3900 . ?
C41D C42D 1.3900 . ?
C41D H41D 0.9500 . ?
C42D C43D 1.3900 . ?
C42D H42D 0.9500 . ?
C43D C44D 1.3900 . ?
C43D H43D 0.9500 . ?
C44D C45D 1.3900 . ?
C44D H44D 0.9500 . ?
C45D H45D 0.9500 . ?
C46B C47B 1.526(5) . ?
C47B C48B 1.523(6) . ?
C47B C49B 1.532(6) . ?
C47B H47B 1.0000 . ?
C48B H48D 0.9800 . ?
C48B H48E 0.9800 . ?
C48B H48F 0.9800 . ?
C49B C54B 1.387(6) . ?
C49B C50B 1.389(6) . ?
C50B C51B 1.394(6) . ?
C50B H50B 0.9500 . ?
C51B C52B 1.393(8) . ?
C51B H51B 0.9500 . ?
C52B C53B 1.374(8) . ?
C52B H52B 0.9500 . ?
C53B C54B 1.377(7) . ?
C53B H53B 0.9500 . ?
C54B H54B 0.9500 . ?
C55B C56B 1.405(6) . ?
C55B H55B 0.9500 . ?
C56B C57B 1.378(7) . ?
C56B H56B 0.9500 . ?
C57B C58B 1.397(7) . ?
C57B H57B 0.9500 . ?
C58B C59B 1.414(5) . ?
C58B C61B 1.444(6) . ?
C59B C60B 1.429(6) . ?
C60B C63B 1.411(6) . ?
C61B C62B 1.345(7) . ?
C61B H61B 0.9500 . ?
C62B C63B 1.438(6) . ?
C62B H62B 0.9500 . ?
C63B C64B 1.395(7) . ?
C64B C65B 1.368(7) . ?
C64B H64B 0.9500 . ?
C65B C66B 1.407(6) . ?
C65B H65B 0.9500 . ?
C66B H66B 0.9500 . ?
C67B C68B 1.409(6) . ?
C67B H67B 0.9500 . ?
C68B C69B 1.371(7) . ?
C68B H68B 0.9500 . ?
C69B C70B 1.396(7) . ?
C69B H69B 0.9500 . ?
C70B C71B 1.416(5) . ?
C70B C73B 1.444(6) . ?
C71B C72B 1.438(6) . ?
C72B C75B 1.414(5) . ?
C73B C74B 1.331(7) . ?
C73B H73B 0.9500 . ?
C74B C75B 1.440(6) . ?
C74B H74B 0.9500 . ?
C75B C76B 1.406(7) . ?
C76B C77B 1.367(6) . ?
C76B H76B 0.9500 . ?
C77B C78B 1.403(6) . ?
C77B H77B 0.9500 . ?
C78B H78B 0.9500 . ?
O1L C1L 1.323(6) . ?
O1L H1OL 0.817(12) . ?
O2L C1L 1.209(6) . ?
C1L C2L 1.518(7) . ?
C2L C4L 1.498(10) . ?
C2L C3L 1.530(7) . ?
C2L H2L 1.0000 . ?
C3L H3LA 0.9800 . ?
C3L H3LB 0.9800 . ?
C3L H3LC 0.9800 . ?
C4L C9L 1.369(11) . ?
C4L C5L 1.395(10) . ?
C5L C6L 1.401(16) . ?
C5L H5L 0.9500 . ?
C6L C7L 1.364(17) . ?
C6L H6L 0.9500 . ?
C7L C8L 1.383(16) . ?
C7L H7L 0.9500 . ?
C8L C9L 1.400(12) . ?
C8L H8L 0.9500 . ?
C9L H9L 0.9500 . ?
O3L C10L 1.301(5) . ?
O3L H3OL 0.807(12) . ?
O4L C10L 1.182(6) . ?
C10L C11L 1.528(6) . ?
C11L C13L 1.516(6) . ?
C11L C12L 1.528(6) . ?
C11L H11L 1.0000 . ?
C12L H12G 0.9800 . ?
C12L H12H 0.9800 . ?
C12L H12I 0.9800 . ?
C13L C18L 1.380(7) . ?
C13L C14L 1.393(7) . ?
C14L C15L 1.384(7) . ?
C14L H14L 0.9500 . ?
C15L C16L 1.359(8) . ?
C15L H15L 0.9500 . ?
C16L C17L 1.363(9) . ?
C16L H16L 0.9500 . ?
C17L C18L 1.415(8) . ?
C17L H17L 0.9500 . ?
C18L H18L 0.9500 . ?
O5L C19L 1.330(8) . ?
O5L H5OL 0.812(12) . ?
O6L C19L 1.198(8) . ?
C19L C20L 1.5013(14) . ?
C20L C22L 1.525(10) . ?
C20L C21L 1.544(12) . ?
C20L H20L 1.0000 . ?
C21L H21G 0.9800 . ?
C21L H21H 0.9800 . ?
C21L H21I 0.9800 . ?
C22L C23L 1.3900 . ?
C22L C27L 1.3900 . ?
C23L C24L 1.3900 . ?
C23L H23L 0.9500 . ?
C24L C25L 1.3900 . ?
C24L H24L 0.9500 . ?
C25L C26L 1.3900 . ?
C25L H25L 0.9500 . ?
C26L C27L 1.3900 . ?
C26L H26L 0.9500 . ?
C27L H27L 0.9500 . ?
O5K C19K 1.34(2) . ?
O5K H5OK 0.801(14) . ?
O6K C19K 1.20(2) . ?
C19K C20K 1.56(2) . ?
C20K C22K 1.46(3) . ?
C20K C21K 1.485(13) . ?
C20K H20K 1.0000 . ?
C21K H21J 0.9800 . ?
C21K H21K 0.9800 . ?
C21K H21L 0.9800 . ?
C22K C23K 1.3900 . ?
C22K C27K 1.3900 . ?
C23K C24K 1.3900 . ?
C23K H23K 0.9500 . ?
C24K C25K 1.3900 . ?
C24K H24K 0.9500 . ?
C25K C26K 1.3900 . ?
C25K H25K 0.9500 . ?
C26K C27K 1.3900 . ?
C26K H26K 0.9500 . ?
C27K H27K 0.9500 . ?
O7L C28L 1.319(6) . ?
O7L H7OL 0.821(11) . ?
O8L C28L 1.200(6) . ?
C28L C29L 1.533(7) . ?
C29L C31L 1.523(7) . ?
C29L C30L 1.527(7) . ?
C29L H29L 1.0000 . ?
C30L H30G 0.9800 . ?
C30L H30H 0.9800 . ?
C30L H30I 0.9800 . ?
C31L C36L 1.393(6) . ?
C31L C32L 1.396(6) . ?
C32L C33L 1.388(7) . ?
C32L H32L 0.9500 . ?
C33L C34L 1.379(7) . ?
C33L H33L 0.9500 . ?
C34L C35L 1.378(7) . ?
C34L H34L 0.9500 . ?
C35L C36L 1.380(7) . ?
C35L H35L 0.9500 . ?
C36L H36L 0.9500 . ?
O9L C37L 1.313(7) . ?
O9L H9OL 0.845(11) . ?
O10L C37L 1.190(6) . ?
C37L C38L 1.521(7) . ?
C38L C40L 1.516(7) . ?
C38L C39L 1.558(8) . ?
C38L H38L 1.0000 . ?
C39L H39G 0.9800 . ?
C39L H39H 0.9800 . ?
C39L H39I 0.9800 . ?
C40L C41L 1.389(7) . ?
C40L C45L 1.392(7) . ?
C41L C42L 1.392(8) . ?
C41L H41L 0.9500 . ?
C42L C43L 1.380(9) . ?
C42L H42L 0.9500 . ?
C43L C44L 1.364(8) . ?
C43L H43L 0.9500 . ?
C44L C45L 1.394(7) . ?
C44L H44L 0.9500 . ?
C45L H45L 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1A Eu1A O7A 78.76(10) . . ?
O1A Eu1A O5A 137.39(9) . . ?
O7A Eu1A O5A 74.91(10) . . ?
O1A Eu1A O10A 127.46(10) . . ?
O7A Eu1A O10A 86.37(10) . . ?
O5A Eu1A O10A 83.73(10) . . ?
O1A Eu1A O4A 82.56(10) . . ?
O7A Eu1A O4A 130.24(9) . . ?
O5A Eu1A O4A 89.51(10) . . ?
O10A Eu1A O4A 139.42(10) . . ?
O1A Eu1A O9A 74.84(10) . . ?
O7A Eu1A O9A 79.29(9) . . ?
O5A Eu1A O9A 130.49(10) . . ?
O10A Eu1A O9A 52.86(10) . . ?
O4A Eu1A O9A 138.22(9) . . ?
O1A Eu1A N1A 78.40(10) . . ?
O7A Eu1A N1A 144.05(11) . . ?
O5A Eu1A N1A 138.68(10) . . ?
O10A Eu1A N1A 85.90(10) . . ?
O4A Eu1A N1A 73.22(9) . . ?
O9A Eu1A N1A 68.15(10) . . ?
O1A Eu1A O3A 70.64(9) . . ?
O7A Eu1A O3A 79.19(9) . . ?
O5A Eu1A O3A 71.93(9) . . ?
O10A Eu1A O3A 154.17(9) . . ?
O4A Eu1A O3A 51.08(8) . . ?
O9A Eu1A O3A 142.13(9) . . ?
N1A Eu1A O3A 118.11(9) . . ?
O1A Eu1A N2A 136.06(10) . . ?
O7A Eu1A N2A 145.17(10) . . ?
O5A Eu1A N2A 76.26(9) . . ?
O10A Eu1A N2A 71.38(10) . . ?
O4A Eu1A N2A 68.14(10) . . ?
O9A Eu1A N2A 105.76(10) . . ?
N1A Eu1A N2A 62.52(10) . . ?
O3A Eu1A N2A 109.73(9) . . ?
O1A Eu1A C37A 101.54(12) . . ?
O7A Eu1A C37A 84.59(10) . . ?
O5A Eu1A C37A 108.57(12) . . ?
O10A Eu1A C37A 26.40(12) . . ?
O4A Eu1A C37A 144.60(10) . . ?
O9A Eu1A C37A 26.70(12) . . ?
N1A Eu1A C37A 73.28(11) . . ?
O3A Eu1A C37A 163.06(10) . . ?
N2A Eu1A C37A 86.44(11) . . ?
O1A Eu1A C10A 78.46(11) . . ?
O7A Eu1A C10A 105.05(10) . . ?
O5A Eu1A C10A 76.83(10) . . ?
O10A Eu1A C10A 153.75(11) . . ?
O4A Eu1A C10A 25.50(9) . . ?
O9A Eu1A C10A 151.55(10) . . ?
N1A Eu1A C10A 97.11(10) . . ?
O3A Eu1A C10A 25.98(9) . . ?
N2A Eu1A C10A 86.83(11) . . ?
C37A Eu1A C10A 170.07(10) . . ?
O1A Eu1A Eu2A 69.45(7) . . ?
O7A Eu1A Eu2A 44.54(7) . . ?
O5A Eu1A Eu2A 68.24(6) . . ?
O10A Eu1A Eu2A 127.35(7) . . ?
O4A Eu1A Eu2A 85.72(6) . . ?
O9A Eu1A Eu2A 117.08(6) . . ?
N1A Eu1A Eu2A 143.54(7) . . ?
O3A Eu1A Eu2A 34.65(6) . . ?
N2A Eu1A Eu2A 135.81(7) . . ?
C37A Eu1A Eu2A 128.93(8) . . ?
C10A Eu1A Eu2A 60.56(7) . . ?
O6A Eu2A O3A 75.85(9) . . ?
O6A Eu2A O2A 135.60(9) . . ?
O3A Eu2A O2A 73.31(9) . . ?
O6A Eu2A O8A 77.80(11) . . ?
O3A Eu2A O8A 123.87(9) . . ?
O2A Eu2A O8A 93.80(10) . . ?
O6A Eu2A O12A 130.12(10) . . ?
O3A Eu2A O12A 93.05(10) . . ?
O2A Eu2A O12A 82.91(10) . . ?
O8A Eu2A O12A 140.43(10) . . ?
O6A Eu2A O11A 77.99(10) . . ?
O3A Eu2A O11A 78.51(9) . . ?
O2A Eu2A O11A 124.82(10) . . ?
O8A Eu2A O11A 140.86(10) . . ?
O12A Eu2A O11A 52.13(9) . . ?
O6A Eu2A N4A 81.43(10) . . ?
O3A Eu2A N4A 144.55(11) . . ?
O2A Eu2A N4A 139.28(10) . . ?
O8A Eu2A N4A 76.03(10) . . ?
O12A Eu2A N4A 81.11(10) . . ?
O11A Eu2A N4A 70.31(10) . . ?
O6A Eu2A N3A 135.66(10) . . ?
O3A Eu2A N3A 147.43(10) . . ?
O2A Eu2A N3A 75.90(10) . . ?
O8A Eu2A N3A 68.27(10) . . ?
O12A Eu2A N3A 72.72(10) . . ?
O11A Eu2A N3A 111.63(10) . . ?
N4A Eu2A N3A 63.64(11) . . ?
O6A Eu2A O7A 70.55(9) . . ?
O3A Eu2A O7A 75.37(8) . . ?
O2A Eu2A O7A 71.27(9) . . ?
O8A Eu2A O7A 49.21(8) . . ?
O12A Eu2A O7A 153.75(9) . . ?
O11A Eu2A O7A 143.00(9) . . ?
N4A Eu2A O7A 121.83(9) . . ?
N3A Eu2A O7A 104.47(9) . . ?
O6A Eu2A C46A 104.25(12) . . ?
O3A Eu2A C46A 87.82(10) . . ?
O2A Eu2A C46A 105.67(11) . . ?
O8A Eu2A C46A 146.89(10) . . ?
O12A Eu2A C46A 25.94(11) . . ?
O11A Eu2A C46A 26.42(11) . . ?
N4A Eu2A C46A 71.72(10) . . ?
N3A Eu2A C46A 90.46(11) . . ?
O7A Eu2A C46A 163.12(9) . . ?
O6A Eu2A C28A 74.53(10) . . ?
O3A Eu2A C28A 100.49(10) . . ?
O2A Eu2A C28A 80.53(10) . . ?
O8A Eu2A C28A 24.14(10) . . ?
O12A Eu2A C28A 154.55(10) . . ?
O11A Eu2A C28A 151.82(10) . . ?
N4A Eu2A C28A 99.21(10) . . ?
N3A Eu2A C28A 84.55(10) . . ?
O7A Eu2A C28A 25.21(9) . . ?
C46A Eu2A C28A 170.89(11) . . ?
O6A Eu2A Eu1A 68.59(7) . . ?
O3A Eu2A Eu1A 39.06(7) . . ?
O2A Eu2A Eu1A 67.28(6) . . ?
O8A Eu2A Eu1A 85.18(6) . . ?
O12A Eu2A Eu1A 128.02(7) . . ?
O11A Eu2A Eu1A 113.50(6) . . ?
N4A Eu2A Eu1A 147.43(7) . . ?
N3A Eu2A Eu1A 132.67(7) . . ?
O7A Eu2A Eu1A 36.32(5) . . ?
C46A Eu2A Eu1A 126.86(8) . . ?
C28A Eu2A Eu1A 61.47(7) . . ?
C1A O1A Eu1A 135.7(3) . . ?
C1A O2A Eu2A 137.2(3) . . ?
C10A O3A Eu2A 162.8(3) . . ?
C10A O3A Eu1A 90.0(2) . . ?
Eu2A O3A Eu1A 106.29(10) . . ?
C10A O4A Eu1A 96.9(2) . . ?
C19A O5A Eu1A 136.4(2) . . ?
C19A O6A Eu2A 138.8(3) . . ?
C28A O7A Eu1A 174.2(3) . . ?
C28A O7A Eu2A 83.9(2) . . ?
Eu1A O7A Eu2A 99.15(10) . . ?
C28A O8A Eu2A 104.2(2) . . ?
C37A O9A Eu1A 91.8(3) . . ?
C37A O10A Eu1A 92.9(2) . . ?
C46A O11A Eu2A 92.3(2) . . ?
C46A O12A Eu2A 93.9(2) . . ?
C55A N1A C59A 117.6(3) . . ?
C55A N1A Eu1A 121.4(2) . . ?
C59A N1A Eu1A 121.0(2) . . ?
C66A N2A C60A 117.4(3) . . ?
C66A N2A Eu1A 122.2(3) . . ?
C60A N2A Eu1A 120.3(2) . . ?
C67A N3A C71A 118.1(3) . . ?
C67A N3A Eu2A 122.8(3) . . ?
C71A N3A Eu2A 119.0(3) . . ?
C78A N4A C72A 118.0(3) . . ?
C78A N4A Eu2A 121.4(3) . . ?
C72A N4A Eu2A 120.5(3) . . ?
O2A C1A O1A 125.8(4) . . ?
O2A C1A C2A 118.1(3) . . ?
O1A C1A C2A 116.1(3) . . ?
C4A C2A C1A 113.1(3) . . ?
C4A C2A C3A 113.9(4) . . ?
C1A C2A C3A 107.7(4) . . ?
C4A C2A H2A 107.2 . . ?
C1A C2A H2A 107.2 . . ?
C3A C2A H2A 107.2 . . ?
C2A C3A H3AA 109.5 . . ?
C2A C3A H3AB 109.5 . . ?
H3AA C3A H3AB 109.5 . . ?
C2A C3A H3AC 109.5 . . ?
H3AA C3A H3AC 109.5 . . ?
H3AB C3A H3AC 109.5 . . ?
C5A C4A C9A 119.1(5) . . ?
C5A C4A C2A 123.3(5) . . ?
C9A C4A C2A 117.7(4) . . ?
C4A C5A C6A 118.5(7) . . ?
C4A C5A H5A 120.7 . . ?
C6A C5A H5A 120.7 . . ?
C7A C6A C5A 119.9(7) . . ?
C7A C6A H6A 120.0 . . ?
C5A C6A H6A 120.0 . . ?
C8A C7A C6A 121.4(6) . . ?
C8A C7A H7A 119.3 . . ?
C6A C7A H7A 119.3 . . ?
C7A C8A C9A 120.1(7) . . ?
C7A C8A H8A 119.9 . . ?
C9A C8A H8A 119.9 . . ?
C8A C9A C4A 121.0(6) . . ?
C8A C9A H9A 119.5 . . ?
C4A C9A H9A 119.5 . . ?
O4A C10A O3A 120.1(4) . . ?
O4A C10A C11A 120.2(3) . . ?
O3A C10A C11A 119.7(3) . . ?
O4A C10A Eu1A 57.6(2) . . ?
O3A C10A Eu1A 64.0(2) . . ?
C11A C10A Eu1A 167.6(3) . . ?
C10A C11A C13A 109.7(3) . . ?
C10A C11A C12A 108.1(3) . . ?
C13A C11A C12A 115.4(3) . . ?
C10A C11A H11A 107.8 . . ?
C13A C11A H11A 107.8 . . ?
C12A C11A H11A 107.8 . . ?
C11A C12A H12A 109.5 . . ?
C11A C12A H12B 109.5 . . ?
H12A C12A H12B 109.5 . . ?
C11A C12A H12C 109.5 . . ?
H12A C12A H12C 109.5 . . ?
H12B C12A H12C 109.5 . . ?
C14A C13A C18A 118.2(4) . . ?
C14A C13A C11A 123.0(4) . . ?
C18A C13A C11A 118.8(4) . . ?
C13A C14A C15A 120.5(4) . . ?
C13A C14A H14A 119.7 . . ?
C15A C14A H14A 119.7 . . ?
C16A C15A C14A 120.7(4) . . ?
C16A C15A H15A 119.7 . . ?
C14A C15A H15A 119.7 . . ?
C17A C16A C15A 119.0(4) . . ?
C17A C16A H16A 120.5 . . ?
C15A C16A H16A 120.5 . . ?
C16A C17A C18A 120.3(4) . . ?
C16A C17A H17A 119.9 . . ?
C18A C17A H17A 119.9 . . ?
C17A C18A C13A 121.3(4) . . ?
C17A C18A H18A 119.4 . . ?
C13A C18A H18A 119.4 . . ?
O6A C19A O5A 126.0(4) . . ?
O6A C19A C20A 115.6(3) . . ?
O5A C19A C20A 118.4(3) . . ?
C22A C20A C21A 113.3(4) . . ?
C22A C20A C19A 111.1(4) . . ?
C21A C20A C19A 113.9(3) . . ?
C21A C20A C22C 104.8(6) . . ?
C19A C20A C22C 101.3(6) . . ?
C22A C20A H20A 106.0 . . ?
C21A C20A H20A 106.0 . . ?
C19A C20A H20A 106.0 . . ?
C20A C21A H21A 109.5 . . ?
C20A C21A H21B 109.5 . . ?
H21A C21A H21B 109.5 . . ?
C20A C21A H21C 109.5 . . ?
H21A C21A H21C 109.5 . . ?
H21B C21A H21C 109.5 . . ?
C23A C22A C27A 116.8(6) . . ?
C23A C22A C20A 122.7(5) . . ?
C27A C22A C20A 120.4(5) . . ?
C24A C23A C22A 121.4(6) . . ?
C24A C23A H23A 119.3 . . ?
C22A C23A H23A 119.3 . . ?
C25A C24A C23A 120.4(7) . . ?
C25A C24A H24A 119.8 . . ?
C23A C24A H24A 119.8 . . ?
C26A C25A C24A 120.1(7) . . ?
C26A C25A H25A 119.9 . . ?
C24A C25A H25A 119.9 . . ?
C25A C26A C27A 119.4(6) . . ?
C25A C26A H26A 120.3 . . ?
C27A C26A H26A 120.3 . . ?
C26A C27A C22A 121.9(6) . . ?
C26A C27A H27A 119.1 . . ?
C22A C27A H27A 119.1 . . ?
C23C C22C C27C 120.0 . . ?
C23C C22C C20A 121.1(8) . . ?
C27C C22C C20A 118.8(8) . . ?
C22C C23C C24C 120.0 . . ?
C22C C23C H23C 120.0 . . ?
C24C C23C H23C 120.0 . . ?
C23C C24C C25C 120.0 . . ?
C23C C24C H24C 120.0 . . ?
C25C C24C H24C 120.0 . . ?
C26C C25C C24C 120.0 . . ?
C26C C25C H25C 120.0 . . ?
C24C C25C H25C 120.0 . . ?
C25C C26C C27C 120.0 . . ?
C25C C26C H26C 120.0 . . ?
C27C C26C H26C 120.0 . . ?
C26C C27C C22C 120.0 . . ?
C26C C27C H27C 120.0 . . ?
C22C C27C H27C 120.0 . . ?
O8A C28A O7A 122.1(4) . . ?
O8A C28A C29A 116.2(3) . . ?
O7A C28A C29A 121.7(3) . . ?
O8A C28A Eu2A 51.7(2) . . ?
O7A C28A Eu2A 70.9(2) . . ?
C29A C28A Eu2A 164.0(3) . . ?
C31A C29A C30A 111.2(3) . . ?
C31A C29A C28A 107.8(3) . . ?
C30A C29A C28A 115.0(3) . . ?
C31A C29A H29A 107.5 . . ?
C30A C29A H29A 107.5 . . ?
C28A C29A H29A 107.5 . . ?
C29A C30A H30A 109.5 . . ?
C29A C30A H30B 109.5 . . ?
H30A C30A H30B 109.5 . . ?
C29A C30A H30C 109.5 . . ?
H30A C30A H30C 109.5 . . ?
H30B C30A H30C 109.5 . . ?
C32A C31A C36A 118.9(4) . . ?
C32A C31A C29A 120.7(4) . . ?
C36A C31A C29A 120.4(4) . . ?
C33A C32A C31A 120.7(5) . . ?
C33A C32A H32A 119.6 . . ?
C31A C32A H32A 119.6 . . ?
C32A C33A C34A 120.6(5) . . ?
C32A C33A H33A 119.7 . . ?
C34A C33A H33A 119.7 . . ?
C33A C34A C35A 119.3(5) . . ?
C33A C34A H34A 120.4 . . ?
C35A C34A H34A 120.4 . . ?
C36A C35A C34A 120.3(4) . . ?
C36A C35A H35A 119.8 . . ?
C34A C35A H35A 119.8 . . ?
C35A C36A C31A 120.3(4) . . ?
C35A C36A H36A 119.9 . . ?
C31A C36A H36A 119.9 . . ?
O10A C37A O9A 121.4(4) . . ?
O10A C37A C38A 119.7(4) . . ?
O9A C37A C38A 118.8(4) . . ?
O10A C37A Eu1A 60.7(2) . . ?
O9A C37A Eu1A 61.5(2) . . ?
C38A C37A Eu1A 167.4(3) . . ?
C39A C38A C40A 114.0(4) . . ?
C39A C38A C37A 112.3(4) . . ?
C40A C38A C37A 106.2(3) . . ?
C39A C38A H38A 108.1 . . ?
C40A C38A H38A 108.1 . . ?
C37A C38A H38A 108.1 . . ?
C38A C39A H39A 109.5 . . ?
C38A C39A H39B 109.5 . . ?
H39A C39A H39B 109.5 . . ?
C38A C39A H39C 109.5 . . ?
H39A C39A H39C 109.5 . . ?
H39B C39A H39C 109.5 . . ?
C45A C40A C41A 119.1(4) . . ?
C45A C40A C38A 120.4(4) . . ?
C41A C40A C38A 120.5(4) . . ?
C40A C41A C42A 119.4(5) . . ?
C40A C41A H41A 120.3 . . ?
C42A C41A H41A 120.3 . . ?
C43A C42A C41A 120.1(5) . . ?
C43A C42A H42A 119.9 . . ?
C41A C42A H42A 119.9 . . ?
C44A C43A C42A 120.5(4) . . ?
C44A C43A H43A 119.7 . . ?
C42A C43A H43A 119.7 . . ?
C43A C44A C45A 119.8(5) . . ?
C43A C44A H44A 120.1 . . ?
C45A C44A H44A 120.1 . . ?
C40A C45A C44A 121.1(5) . . ?
C40A C45A H45A 119.5 . . ?
C44A C45A H45A 119.5 . . ?
O12A C46A O11A 120.6(4) . . ?
O12A C46A C47A 120.6(4) . . ?
O11A C46A C47A 118.7(4) . . ?
O12A C46A Eu2A 60.2(2) . . ?
O11A C46A Eu2A 61.3(2) . . ?
C47A C46A Eu2A 169.4(3) . . ?
C48A C47A C46A 110.7(4) . . ?
C48A C47A C49A 114.2(4) . . ?
C46A C47A C49A 109.4(3) . . ?
C48A C47A H47A 107.4 . . ?
C46A C47A H47A 107.4 . . ?
C49A C47A H47A 107.4 . . ?
C47A C48A H48A 109.5 . . ?
C47A C48A H48B 109.5 . . ?
H48A C48A H48B 109.5 . . ?
C47A C48A H48C 109.5 . . ?
H48A C48A H48C 109.5 . . ?
H48B C48A H48C 109.5 . . ?
C50A C49A C54A 118.3(4) . . ?
C50A C49A C47A 122.2(4) . . ?
C54A C49A C47A 119.5(4) . . ?
C49A C50A C51A 120.7(5) . . ?
C49A C50A H50A 119.6 . . ?
C51A C50A H50A 119.6 . . ?
C52A C51A C50A 120.4(5) . . ?
C52A C51A H51A 119.8 . . ?
C50A C51A H51A 119.8 . . ?
C51A C52A C53A 119.7(4) . . ?
C51A C52A H52A 120.1 . . ?
C53A C52A H52A 120.1 . . ?
C52A C53A C54A 119.9(5) . . ?
C52A C53A H53A 120.0 . . ?
C54A C53A H53A 120.0 . . ?
C49A C54A C53A 120.9(4) . . ?
C49A C54A H54A 119.6 . . ?
C53A C54A H54A 119.6 . . ?
N1A C55A C56A 123.8(4) . . ?
N1A C55A H55A 118.1 . . ?
C56A C55A H55A 118.1 . . ?
C57A C56A C55A 118.6(4) . . ?
C57A C56A H56A 120.7 . . ?
C55A C56A H56A 120.7 . . ?
C56A C57A C58A 119.4(3) . . ?
C56A C57A H57A 120.3 . . ?
C58A C57A H57A 120.3 . . ?
C57A C58A C59A 118.4(3) . . ?
C57A C58A C61A 122.4(3) . . ?
C59A C58A C61A 119.3(4) . . ?
N1A C59A C58A 122.3(4) . . ?
N1A C59A C60A 117.6(3) . . ?
C58A C59A C60A 120.1(3) . . ?
N2A C60A C63A 122.9(4) . . ?
N2A C60A C59A 118.5(3) . . ?
C63A C60A C59A 118.6(3) . . ?
C62A C61A C58A 121.0(3) . . ?
C62A C61A H61A 119.5 . . ?
C58A C61A H61A 119.5 . . ?
C61A C62A C63A 121.2(4) . . ?
C61A C62A H62A 119.4 . . ?
C63A C62A H62A 119.4 . . ?
C64A C63A C60A 117.8(4) . . ?
C64A C63A C62A 122.4(4) . . ?
C60A C63A C62A 119.8(4) . . ?
C65A C64A C63A 119.1(4) . . ?
C65A C64A H64A 120.5 . . ?
C63A C64A H64A 120.5 . . ?
C64A C65A C66A 119.4(4) . . ?
C64A C65A H65A 120.3 . . ?
C66A C65A H65A 120.3 . . ?
N2A C66A C65A 123.4(4) . . ?
N2A C66A H66A 118.3 . . ?
C65A C66A H66A 118.3 . . ?
N3A C67A C68A 124.2(4) . . ?
N3A C67A H67A 117.9 . . ?
C68A C67A H67A 117.9 . . ?
C69A C68A C67A 118.5(5) . . ?
C69A C68A H68A 120.8 . . ?
C67A C68A H68A 120.8 . . ?
C68A C69A C70A 119.6(4) . . ?
C68A C69A H69A 120.2 . . ?
C70A C69A H69A 120.2 . . ?
C69A C70A C71A 118.2(4) . . ?
C69A C70A C73A 122.7(4) . . ?
C71A C70A C73A 119.1(4) . . ?
N3A C71A C70A 121.5(4) . . ?
N3A C71A C72A 118.9(3) . . ?
C70A C71A C72A 119.6(3) . . ?
N4A C72A C75A 122.9(4) . . ?
N4A C72A C71A 117.9(3) . . ?
C75A C72A C71A 119.2(3) . . ?
C74A C73A C70A 121.6(4) . . ?
C74A C73A H73A 119.2 . . ?
C70A C73A H73A 119.2 . . ?
C73A C74A C75A 120.4(4) . . ?
C73A C74A H74A 119.8 . . ?
C75A C74A H74A 119.8 . . ?
C76A C75A C72A 117.2(4) . . ?
C76A C75A C74A 122.7(4) . . ?
C72A C75A C74A 120.1(4) . . ?
C77A C76A C75A 119.5(4) . . ?
C77A C76A H76A 120.2 . . ?
C75A C76A H76A 120.2 . . ?
C76A C77A C78A 119.6(4) . . ?
C76A C77A H77A 120.2 . . ?
C78A C77A H77A 120.2 . . ?
N4A C78A C77A 122.8(4) . . ?
N4A C78A H78A 118.6 . . ?
C77A C78A H78A 118.6 . . ?
O1B Eu1B O5B 138.25(9) . . ?
O1B Eu1B O7B 75.98(10) . . ?
O5B Eu1B O7B 77.22(10) . . ?
O1B Eu1B O9B 78.92(10) . . ?
O5B Eu1B O9B 129.58(10) . . ?
O7B Eu1B O9B 84.99(10) . . ?
O1B Eu1B O4B 87.77(9) . . ?
O5B Eu1B O4B 82.65(10) . . ?
O7B Eu1B O4B 125.87(9) . . ?
O9B Eu1B O4B 142.33(9) . . ?
O1B Eu1B O10B 124.92(10) . . ?
O5B Eu1B O10B 77.80(10) . . ?
O7B Eu1B O10B 76.23(9) . . ?
O9B Eu1B O10B 52.09(9) . . ?
O4B Eu1B O10B 146.11(10) . . ?
O1B Eu1B O3B 72.23(9) . . ?
O5B Eu1B O3B 70.14(9) . . ?
O7B Eu1B O3B 74.64(8) . . ?
O9B Eu1B O3B 147.85(9) . . ?
O4B Eu1B O3B 51.25(8) . . ?
O10B Eu1B O3B 140.46(9) . . ?
O1B Eu1B N2B 140.22(10) . . ?
O5B Eu1B N2B 77.59(10) . . ?
O7B Eu1B N2B 140.71(11) . . ?
O9B Eu1B N2B 88.34(11) . . ?
O4B Eu1B N2B 79.67(10) . . ?
O10B Eu1B N2B 69.30(11) . . ?
O3B Eu1B N2B 123.08(10) . . ?
O1B Eu1B N1B 77.70(10) . . ?
O5B Eu1B N1B 134.74(10) . . ?
O7B Eu1B N1B 147.97(10) . . ?
O9B Eu1B N1B 72.26(10) . . ?
O4B Eu1B N1B 70.52(9) . . ?
O10B Eu1B N1B 105.00(10) . . ?
O3B Eu1B N1B 113.91(9) . . ?
N2B Eu1B N1B 62.52(11) . . ?
O1B Eu1B C37B 102.83(11) . . ?
O5B Eu1B C37B 104.09(11) . . ?
O7B Eu1B C37B 81.34(11) . . ?
O9B Eu1B C37B 25.90(11) . . ?
O4B Eu1B C37B 152.71(10) . . ?
O10B Eu1B C37B 26.30(10) . . ?
O3B Eu1B C37B 155.97(10) . . ?
N2B Eu1B C37B 76.15(12) . . ?
N1B Eu1B C37B 87.05(10) . . ?
O1B Eu1B C10B 79.79(10) . . ?
O5B Eu1B C10B 74.41(10) . . ?
O7B Eu1B C10B 100.65(9) . . ?
O9B Eu1B C10B 155.90(10) . . ?
O4B Eu1B C10B 25.22(9) . . ?
O10B Eu1B C10B 152.00(10) . . ?
O3B Eu1B C10B 26.05(9) . . ?
N2B Eu1B C10B 101.01(11) . . ?
N1B Eu1B C10B 92.28(10) . . ?
C37B Eu1B C10B 177.07(12) . . ?
O1B Eu1B Eu2B 69.13(6) . . ?
O5B Eu1B Eu2B 69.78(7) . . ?
O7B Eu1B Eu2B 39.48(7) . . ?
O9B Eu1B Eu2B 120.08(7) . . ?
O4B Eu1B Eu2B 86.42(6) . . ?
O10B Eu1B Eu2B 111.78(6) . . ?
O3B Eu1B Eu2B 35.17(6) . . ?
N2B Eu1B Eu2B 145.88(8) . . ?
N1B Eu1B Eu2B 140.17(8) . . ?
C37B Eu1B Eu2B 120.82(8) . . ?
C10B Eu1B Eu2B 61.21(7) . . ?
O3B Eu2B O2B 77.38(10) . . ?
O3B Eu2B O6B 72.11(9) . . ?
O2B Eu2B O6B 137.81(9) . . ?
O3B Eu2B O8B 126.51(9) . . ?
O2B Eu2B O8B 77.87(10) . . ?
O6B Eu2B O8B 97.56(10) . . ?
O3B Eu2B O11B 95.49(9) . . ?
O2B Eu2B O11B 123.75(10) . . ?
O6B Eu2B O11B 88.02(10) . . ?
O8B Eu2B O11B 137.39(9) . . ?
O3B Eu2B O12B 76.15(9) . . ?
O2B Eu2B O12B 72.80(10) . . ?
O6B Eu2B O12B 124.97(10) . . ?
O8B Eu2B O12B 137.31(10) . . ?
O11B Eu2B O12B 51.67(9) . . ?
O3B Eu2B O7B 75.29(8) . . ?
O2B Eu2B O7B 70.75(9) . . ?
O6B Eu2B O7B 73.77(9) . . ?
O8B Eu2B O7B 51.89(8) . . ?
O11B Eu2B O7B 161.33(9) . . ?
O12B Eu2B O7B 137.52(9) . . ?
O3B Eu2B N3B 144.87(10) . . ?
O2B Eu2B N3B 82.36(10) . . ?
O6B Eu2B N3B 137.75(10) . . ?
O8B Eu2B N3B 75.45(9) . . ?
O11B Eu2B N3B 72.49(10) . . ?
O12B Eu2B N3B 70.54(9) . . ?
O7B Eu2B N3B 124.12(9) . . ?
O3B Eu2B N4B 144.83(10) . . ?
O2B Eu2B N4B 137.21(10) . . ?
O6B Eu2B N4B 74.81(9) . . ?
O8B Eu2B N4B 69.32(10) . . ?
O11B Eu2B N4B 71.62(10) . . ?
O12B Eu2B N4B 114.95(9) . . ?
O7B Eu2B N4B 106.52(9) . . ?
N3B Eu2B N4B 63.65(10) . . ?
O3B Eu2B C28B 101.60(10) . . ?
O2B Eu2B C28B 74.83(11) . . ?
O6B Eu2B C28B 83.44(11) . . ?
O8B Eu2B C28B 25.71(10) . . ?
O11B Eu2B C28B 157.48(10) . . ?
O12B Eu2B C28B 147.23(10) . . ?
O7B Eu2B C28B 26.37(9) . . ?
N3B Eu2B C28B 100.36(10) . . ?
N4B Eu2B C28B 86.02(10) . . ?
O3B Eu2B C46B 88.60(10) . . ?
O2B Eu2B C46B 97.38(11) . . ?
O6B Eu2B C46B 110.09(11) . . ?
O8B Eu2B C46B 141.22(10) . . ?
O11B Eu2B C46B 26.40(11) . . ?
O12B Eu2B C46B 25.73(10) . . ?
O7B Eu2B C46B 161.59(10) . . ?
N3B Eu2B C46B 65.78(10) . . ?
N4B Eu2B C46B 91.77(11) . . ?
C28B Eu2B C46B 165.23(11) . . ?
O3B Eu2B Eu1B 39.19(6) . . ?
O2B Eu2B Eu1B 68.96(7) . . ?
O6B Eu2B Eu1B 68.95(6) . . ?
O8B Eu2B Eu1B 87.59(6) . . ?
O11B Eu2B Eu1B 132.87(7) . . ?
O12B Eu2B Eu1B 109.28(6) . . ?
O7B Eu2B Eu1B 36.11(6) . . ?
N3B Eu2B Eu1B 149.27(7) . . ?
N4B Eu2B Eu1B 133.64(7) . . ?
C28B Eu2B Eu1B 62.41(7) . . ?
C46B Eu2B Eu1B 127.10(7) . . ?
C1B O1B Eu1B 134.3(3) . . ?
C1B O2B Eu2B 136.4(3) . . ?
C10B O3B Eu2B 161.7(2) . . ?
C10B O3B Eu1B 92.5(2) . . ?
Eu2B O3B Eu1B 105.64(10) . . ?
C10B O4B Eu1B 96.0(2) . . ?
C19B O5B Eu1B 136.6(3) . . ?
C19B O6B Eu2B 135.1(2) . . ?
C28B O7B Eu1B 164.5(3) . . ?
C28B O7B Eu2B 90.2(2) . . ?
Eu1B O7B Eu2B 104.42(10) . . ?
C28B O8B Eu2B 96.8(2) . . ?
C37B O10B Eu1B 91.8(2) . . ?
C37B O9B Eu1B 94.7(3) . . ?
C46B O11B Eu2B 94.3(2) . . ?
C46B O12B Eu2B 92.1(2) . . ?
C55B N1B C59B 117.6(3) . . ?
C55B N1B Eu1B 122.4(3) . . ?
C59B N1B Eu1B 120.0(3) . . ?
C66B N2B C60B 117.9(4) . . ?
C66B N2B Eu1B 120.7(3) . . ?
C60B N2B Eu1B 121.4(3) . . ?
C67B N3B C71B 118.8(3) . . ?
C67B N3B Eu2B 121.6(3) . . ?
C71B N3B Eu2B 119.5(3) . . ?
C78B N4B C72B 117.8(3) . . ?
C78B N4B Eu2B 123.0(2) . . ?
C72B N4B Eu2B 119.2(2) . . ?
O2B C1B O1B 125.7(4) . . ?
O2B C1B C2B 115.6(3) . . ?
O1B C1B C2B 118.6(3) . . ?
C4B C2B C1B 115.1(3) . . ?
C4B C2B C3B 112.0(3) . . ?
C1B C2B C3B 106.6(3) . . ?
C4B C2B H2B 107.6 . . ?
C1B C2B H2B 107.6 . . ?
C3B C2B H2B 107.6 . . ?
C2B C3B H3BA 109.5 . . ?
C2B C3B H3BB 109.5 . . ?
H3BA C3B H3BB 109.5 . . ?
C2B C3B H3BC 109.5 . . ?
H3BA C3B H3BC 109.5 . . ?
H3BB C3B H3BC 109.5 . . ?
C5B C4B C9B 118.0(4) . . ?
C5B C4B C2B 122.9(4) . . ?
C9B C4B C2B 119.1(4) . . ?
C4B C5B C6B 121.0(5) . . ?
C4B C5B H5B 119.5 . . ?
C6B C5B H5B 119.5 . . ?
C7B C6B C5B 120.1(5) . . ?
C7B C6B H6B 119.9 . . ?
C5B C6B H6B 119.9 . . ?
C6B C7B C8B 119.6(5) . . ?
C6B C7B H7B 120.2 . . ?
C8B C7B H7B 120.2 . . ?
C7B C8B C9B 119.9(5) . . ?
C7B C8B H8B 120.0 . . ?
C9B C8B H8B 120.0 . . ?
C8B C9B C4B 121.3(5) . . ?
C8B C9B H9B 119.3 . . ?
C4B C9B H9B 119.3 . . ?
O4B C10B O3B 120.2(3) . . ?
O4B C10B C11B 122.1(3) . . ?
O3B C10B C11B 117.7(3) . . ?
O4B C10B Eu1B 58.8(2) . . ?
O3B C10B Eu1B 61.40(19) . . ?
C11B C10B Eu1B 175.1(3) . . ?
C13B C11B C10B 108.3(3) . . ?
C13B C11B C12B 112.8(3) . . ?
C10B C11B C12B 111.9(3) . . ?
C13B C11B H11B 107.9 . . ?
C10B C11B H11B 107.9 . . ?
C12B C11B H11B 107.9 . . ?
C11B C12B H12D 109.5 . . ?
C11B C12B H12E 109.5 . . ?
H12D C12B H12E 109.5 . . ?
C11B C12B H12F 109.5 . . ?
H12D C12B H12F 109.5 . . ?
H12E C12B H12F 109.5 . . ?
C14B C13B C18B 118.3(4) . . ?
C14B C13B C11B 121.0(3) . . ?
C18B C13B C11B 120.7(4) . . ?
C15B C14B C13B 121.4(4) . . ?
C15B C14B H14B 119.3 . . ?
C13B C14B H14B 119.3 . . ?
C14B C15B C16B 119.8(4) . . ?
C14B C15B H15B 120.1 . . ?
C16B C15B H15B 120.1 . . ?
C17B C16B C15B 119.4(4) . . ?
C17B C16B H16B 120.3 . . ?
C15B C16B H16B 120.3 . . ?
C16B C17B C18B 120.6(4) . . ?
C16B C17B H17B 119.7 . . ?
C18B C17B H17B 119.7 . . ?
C17B C18B C13B 120.5(4) . . ?
C17B C18B H18B 119.7 . . ?
C13B C18B H18B 119.7 . . ?
O5B C19B O6B 125.4(4) . . ?
O5B C19B C20B 117.7(3) . . ?
O6B C19B C20B 116.8(3) . . ?
C22B C20B C19B 113.1(3) . . ?
C22B C20B C21B 111.9(3) . . ?
C19B C20B C21B 112.4(3) . . ?
C22B C20B H20B 106.3 . . ?
C19B C20B H20B 106.3 . . ?
C21B C20B H20B 106.3 . . ?
C20B C21B H21D 109.5 . . ?
C20B C21B H21E 109.5 . . ?
H21D C21B H21E 109.5 . . ?
C20B C21B H21F 109.5 . . ?
H21D C21B H21F 109.5 . . ?
H21E C21B H21F 109.5 . . ?
C27B C22B C23B 117.8(4) . . ?
C27B C22B C20B 120.3(4) . . ?
C23B C22B C20B 121.8(4) . . ?
C22B C23B C24B 121.1(5) . . ?
C22B C23B H23B 119.5 . . ?
C24B C23B H23B 119.5 . . ?
C25B C24B C23B 120.0(5) . . ?
C25B C24B H24B 120.0 . . ?
C23B C24B H24B 120.0 . . ?
C26B C25B C24B 119.6(4) . . ?
C26B C25B H25B 120.2 . . ?
C24B C25B H25B 120.2 . . ?
C25B C26B C27B 120.6(5) . . ?
C25B C26B H26B 119.7 . . ?
C27B C26B H26B 119.7 . . ?
C22B C27B C26B 120.9(5) . . ?
C22B C27B H27B 119.6 . . ?
C26B C27B H27B 119.6 . . ?
O8B C28B O7B 120.2(4) . . ?
O8B C28B C29B 119.4(3) . . ?
O7B C28B C29B 120.2(3) . . ?
O8B C28B Eu2B 57.5(2) . . ?
O7B C28B Eu2B 63.4(2) . . ?
C29B C28B Eu2B 167.3(3) . . ?
C28B C29B C31B 106.7(3) . . ?
C28B C29B C30B 109.9(4) . . ?
C31B C29B C30B 114.9(4) . . ?
C28B C29B H29B 108.4 . . ?
C31B C29B H29B 108.4 . . ?
C30B C29B H29B 108.4 . . ?
C29B C30B H30D 109.5 . . ?
C29B C30B H30E 109.5 . . ?
H30D C30B H30E 109.5 . . ?
C29B C30B H30F 109.5 . . ?
H30D C30B H30F 109.5 . . ?
H30E C30B H30F 109.5 . . ?
C36B C31B C32B 118.6(5) . . ?
C36B C31B C29B 119.3(4) . . ?
C32B C31B C29B 122.0(4) . . ?
C33B C32B C31B 120.7(5) . . ?
C33B C32B H32B 119.6 . . ?
C31B C32B H32B 119.6 . . ?
C34B C33B C32B 120.1(5) . . ?
C34B C33B H33B 120.0 . . ?
C32B C33B H33B 120.0 . . ?
C33B C34B C35B 119.6(5) . . ?
C33B C34B H34B 120.2 . . ?
C35B C34B H34B 120.2 . . ?
C36B C35B C34B 120.0(6) . . ?
C36B C35B H35B 120.0 . . ?
C34B C35B H35B 120.0 . . ?
C31B C36B C35B 121.0(5) . . ?
C31B C36B H36B 119.5 . . ?
C35B C36B H36B 119.5 . . ?
O9B C37B O10B 121.0(4) . . ?
O9B C37B C38B 120.1(4) . . ?
O10B C37B C38B 119.0(4) . . ?
O9B C37B Eu1B 59.4(2) . . ?
O10B C37B Eu1B 61.9(2) . . ?
C38B C37B Eu1B 173.5(3) . . ?
C40D C38B C39B 120.8(10) . . ?
C40D C38B C37B 110.4(11) . . ?
C39B C38B C37B 110.4(4) . . ?
C39B C38B C40B 111.6(5) . . ?
C37B C38B C40B 108.7(4) . . ?
C39B C38B H38B 108.7 . . ?
C37B C38B H38B 108.7 . . ?
C40B C38B H38B 108.7 . . ?
C38B C39B H39D 109.5 . . ?
C38B C39B H39E 109.5 . . ?
H39D C39B H39E 109.5 . . ?
C38B C39B H39F 109.5 . . ?
H39D C39B H39F 109.5 . . ?
H39E C39B H39F 109.5 . . ?
C41B C40B C45B 117.1(6) . . ?
C41B C40B C38B 123.8(6) . . ?
C45B C40B C38B 119.1(6) . . ?
C40B C41B C42B 121.8(6) . . ?
C40B C41B H41B 119.1 . . ?
C42B C41B H41B 119.1 . . ?
C43B C42B C41B 120.1(7) . . ?
C43B C42B H42B 119.9 . . ?
C41B C42B H42B 119.9 . . ?
C44B C43B C42B 118.8(6) . . ?
C44B C43B H43B 120.6 . . ?
C42B C43B H43B 120.6 . . ?
C45B C44B C43B 121.0(6) . . ?
C45B C44B H44B 119.5 . . ?
C43B C44B H44B 119.5 . . ?
C44B C45B C40B 121.1(6) . . ?
C44B C45B H45B 119.5 . . ?
C40B C45B H45B 119.5 . . ?
C38B C40D C41D 114.6(13) . . ?
C38B C40D C45D 125.4(13) . . ?
C41D C40D C45D 120.0 . . ?
C42D C41D C40D 120.0 . . ?
C42D C41D H41D 120.0 . . ?
C40D C41D H41D 120.0 . . ?
C43D C42D C41D 120.0 . . ?
C43D C42D H42D 120.0 . . ?
C41D C42D H42D 120.0 . . ?
C44D C43D C42D 120.0 . . ?
C44D C43D H43D 120.0 . . ?
C42D C43D H43D 120.0 . . ?
C43D C44D C45D 120.0 . . ?
C43D C44D H44D 120.0 . . ?
C45D C44D H44D 120.0 . . ?
C44D C45D C40D 120.0 . . ?
C44D C45D H45D 120.0 . . ?
C40D C45D H45D 120.0 . . ?
O12B C46B O11B 119.8(4) . . ?
O12B C46B C47B 121.5(4) . . ?
O11B C46B C47B 118.7(3) . . ?
O12B C46B Eu2B 62.2(2) . . ?
O11B C46B Eu2B 59.31(19) . . ?
C47B C46B Eu2B 165.9(3) . . ?
C48B C47B C46B 112.3(3) . . ?
C48B C47B C49B 113.5(3) . . ?
C46B C47B C49B 108.3(3) . . ?
C48B C47B H47B 107.5 . . ?
C46B C47B H47B 107.5 . . ?
C49B C47B H47B 107.5 . . ?
C47B C48B H48D 109.5 . . ?
C47B C48B H48E 109.5 . . ?
H48D C48B H48E 109.5 . . ?
C47B C48B H48F 109.5 . . ?
H48D C48B H48F 109.5 . . ?
H48E C48B H48F 109.5 . . ?
C54B C49B C50B 119.3(4) . . ?
C54B C49B C47B 119.9(4) . . ?
C50B C49B C47B 120.7(4) . . ?
C49B C50B C51B 119.7(5) . . ?
C49B C50B H50B 120.1 . . ?
C51B C50B H50B 120.1 . . ?
C52B C51B C50B 120.0(5) . . ?
C52B C51B H51B 120.0 . . ?
C50B C51B H51B 120.0 . . ?
C53B C52B C51B 120.0(5) . . ?
C53B C52B H52B 120.0 . . ?
C51B C52B H52B 120.0 . . ?
C52B C53B C54B 119.9(5) . . ?
C52B C53B H53B 120.1 . . ?
C54B C53B H53B 120.1 . . ?
C53B C54B C49B 121.1(5) . . ?
C53B C54B H54B 119.5 . . ?
C49B C54B H54B 119.5 . . ?
N1B C55B C56B 124.2(4) . . ?
N1B C55B H55B 117.9 . . ?
C56B C55B H55B 117.9 . . ?
C57B C56B C55B 118.5(5) . . ?
C57B C56B H56B 120.8 . . ?
C55B C56B H56B 120.8 . . ?
C56B C57B C58B 119.5(4) . . ?
C56B C57B H57B 120.3 . . ?
C58B C57B H57B 120.3 . . ?
C57B C58B C59B 118.4(4) . . ?
C57B C58B C61B 122.7(4) . . ?
C59B C58B C61B 118.8(4) . . ?
N1B C59B C58B 121.9(4) . . ?
N1B C59B C60B 118.5(3) . . ?
C58B C59B C60B 119.6(4) . . ?
N2B C60B C63B 122.3(4) . . ?
N2B C60B C59B 117.6(3) . . ?
C63B C60B C59B 120.2(4) . . ?
C62B C61B C58B 121.2(4) . . ?
C62B C61B H61B 119.4 . . ?
C58B C61B H61B 119.4 . . ?
C61B C62B C63B 121.2(4) . . ?
C61B C62B H62B 119.4 . . ?
C63B C62B H62B 119.4 . . ?
C64B C63B C60B 118.3(4) . . ?
C64B C63B C62B 122.8(4) . . ?
C60B C63B C62B 118.9(4) . . ?
C65B C64B C63B 119.3(4) . . ?
C65B C64B H64B 120.3 . . ?
C63B C64B H64B 120.3 . . ?
C64B C65B C66B 119.3(5) . . ?
C64B C65B H65B 120.4 . . ?
C66B C65B H65B 120.4 . . ?
N2B C66B C65B 123.0(4) . . ?
N2B C66B H66B 118.5 . . ?
C65B C66B H66B 118.5 . . ?
N3B C67B C68B 123.2(4) . . ?
N3B C67B H67B 118.4 . . ?
C68B C67B H67B 118.4 . . ?
C69B C68B C67B 118.3(4) . . ?
C69B C68B H68B 120.8 . . ?
C67B C68B H68B 120.8 . . ?
C68B C69B C70B 120.1(4) . . ?
C68B C69B H69B 120.0 . . ?
C70B C69B H69B 120.0 . . ?
C69B C70B C71B 118.3(4) . . ?
C69B C70B C73B 122.8(4) . . ?
C71B C70B C73B 118.9(4) . . ?
N3B C71B C70B 121.3(4) . . ?
N3B C71B C72B 118.5(3) . . ?
C70B C71B C72B 120.2(4) . . ?
N4B C72B C75B 122.5(4) . . ?
N4B C72B C71B 118.7(3) . . ?
C75B C72B C71B 118.8(4) . . ?
C74B C73B C70B 121.0(4) . . ?
C74B C73B H73B 119.5 . . ?
C70B C73B H73B 119.5 . . ?
C73B C74B C75B 121.6(4) . . ?
C73B C74B H74B 119.2 . . ?
C75B C74B H74B 119.2 . . ?
C76B C75B C72B 117.7(4) . . ?
C76B C75B C74B 122.7(4) . . ?
C72B C75B C74B 119.5(4) . . ?
C77B C76B C75B 119.5(4) . . ?
C77B C76B H76B 120.2 . . ?
C75B C76B H76B 120.2 . . ?
C76B C77B C78B 119.1(4) . . ?
C76B C77B H77B 120.5 . . ?
C78B C77B H77B 120.5 . . ?
N4B C78B C77B 123.4(4) . . ?
N4B C78B H78B 118.3 . . ?
C77B C78B H78B 118.3 . . ?
C1L O1L H1OL 105(4) . . ?
O2L C1L O1L 124.2(5) . . ?
O2L C1L C2L 123.3(5) . . ?
O1L C1L C2L 112.5(4) . . ?
C4L C2L C1L 110.4(5) . . ?
C4L C2L C3L 110.0(5) . . ?
C1L C2L C3L 111.2(5) . . ?
C4L C2L H2L 108.4 . . ?
C1L C2L H2L 108.4 . . ?
C3L C2L H2L 108.4 . . ?
C2L C3L H3LA 109.5 . . ?
C2L C3L H3LB 109.5 . . ?
H3LA C3L H3LB 109.5 . . ?
C2L C3L H3LC 109.5 . . ?
H3LA C3L H3LC 109.5 . . ?
H3LB C3L H3LC 109.5 . . ?
C9L C4L C5L 116.6(8) . . ?
C9L C4L C2L 122.9(6) . . ?
C5L C4L C2L 120.5(8) . . ?
C4L C5L C6L 119.2(11) . . ?
C4L C5L H5L 120.4 . . ?
C6L C5L H5L 120.4 . . ?
C7L C6L C5L 123.3(12) . . ?
C7L C6L H6L 118.3 . . ?
C5L C6L H6L 118.3 . . ?
C6L C7L C8L 118.0(12) . . ?
C6L C7L H7L 121.0 . . ?
C8L C7L H7L 121.0 . . ?
C7L C8L C9L 118.5(12) . . ?
C7L C8L H8L 120.8 . . ?
C9L C8L H8L 120.8 . . ?
C4L C9L C8L 124.3(9) . . ?
C4L C9L H9L 117.8 . . ?
C8L C9L H9L 117.8 . . ?
C10L O3L H3OL 110(4) . . ?
O4L C10L O3L 123.3(4) . . ?
O4L C10L C11L 124.5(4) . . ?
O3L C10L C11L 112.1(4) . . ?
C13L C11L C12L 113.2(4) . . ?
C13L C11L C10L 109.7(3) . . ?
C12L C11L C10L 110.8(4) . . ?
C13L C11L H11L 107.7 . . ?
C12L C11L H11L 107.7 . . ?
C10L C11L H11L 107.7 . . ?
C11L C12L H12G 109.5 . . ?
C11L C12L H12H 109.5 . . ?
H12G C12L H12H 109.5 . . ?
C11L C12L H12I 109.5 . . ?
H12G C12L H12I 109.5 . . ?
H12H C12L H12I 109.5 . . ?
C18L C13L C14L 118.5(5) . . ?
C18L C13L C11L 120.4(5) . . ?
C14L C13L C11L 121.1(4) . . ?
C15L C14L C13L 120.6(5) . . ?
C15L C14L H14L 119.7 . . ?
C13L C14L H14L 119.7 . . ?
C16L C15L C14L 120.9(6) . . ?
C16L C15L H15L 119.6 . . ?
C14L C15L H15L 119.6 . . ?
C15L C16L C17L 119.8(5) . . ?
C15L C16L H16L 120.1 . . ?
C17L C16L H16L 120.1 . . ?
C16L C17L C18L 120.5(5) . . ?
C16L C17L H17L 119.8 . . ?
C18L C17L H17L 119.8 . . ?
C13L C18L C17L 119.8(5) . . ?
C13L C18L H18L 120.1 . . ?
C17L C18L H18L 120.1 . . ?
C19L O5L H5OL 117(7) . . ?
O6L C19L O5L 122.5(6) . . ?
O6L C19L C20L 126.4(6) . . ?
O5L C19L C20L 111.0(6) . . ?
C19L C20L C22L 105.8(7) . . ?
C19L C20L C21L 109.3(6) . . ?
C22L C20L C21L 116.0(8) . . ?
C19L C20L H20L 108.5 . . ?
C22L C20L H20L 108.5 . . ?
C21L C20L H20L 108.5 . . ?
C20L C21L H21G 109.5 . . ?
C20L C21L H21H 109.5 . . ?
H21G C21L H21H 109.5 . . ?
C20L C21L H21I 109.5 . . ?
H21G C21L H21I 109.5 . . ?
H21H C21L H21I 109.5 . . ?
C23L C22L C27L 120.0 . . ?
C23L C22L C20L 121.1(5) . . ?
C27L C22L C20L 118.9(5) . . ?
C22L C23L C24L 120.0 . . ?
C22L C23L H23L 120.0 . . ?
C24L C23L H23L 120.0 . . ?
C23L C24L C25L 120.0 . . ?
C23L C24L H24L 120.0 . . ?
C25L C24L H24L 120.0 . . ?
C26L C25L C24L 120.0 . . ?
C26L C25L H25L 120.0 . . ?
C24L C25L H25L 120.0 . . ?
C25L C26L C27L 120.0 . . ?
C25L C26L H26L 120.0 . . ?
C27L C26L H26L 120.0 . . ?
C26L C27L C22L 120.0 . . ?
C26L C27L H27L 120.0 . . ?
C22L C27L H27L 120.0 . . ?
C19K O5K H5OK 112(10) . . ?
O6K C19K O5K 123.3(14) . . ?
O6K C19K C20K 126.6(16) . . ?
O5K C19K C20K 110.1(15) . . ?
C22K C20K C21K 109(2) . . ?
C22K C20K C19K 108.5(15) . . ?
C21K C20K C19K 110.4(15) . . ?
C22K C20K H20K 109.7 . . ?
C21K C20K H20K 109.7 . . ?
C19K C20K H20K 109.7 . . ?
C20K C21K H21J 109.5 . . ?
C20K C21K H21K 109.5 . . ?
H21J C21K H21K 109.5 . . ?
C20K C21K H21L 109.5 . . ?
H21J C21K H21L 109.5 . . ?
H21K C21K H21L 109.5 . . ?
C23K C22K C27K 120.0 . . ?
C23K C22K C20K 125.8(18) . . ?
C27K C22K C20K 113.9(18) . . ?
C22K C23K C24K 120.0 . . ?
C22K C23K H23K 120.0 . . ?
C24K C23K H23K 120.0 . . ?
C25K C24K C23K 120.0 . . ?
C25K C24K H24K 120.0 . . ?
C23K C24K H24K 120.0 . . ?
C26K C25K C24K 120.0 . . ?
C26K C25K H25K 120.0 . . ?
C24K C25K H25K 120.0 . . ?
C25K C26K C27K 120.0 . . ?
C25K C26K H26K 120.0 . . ?
C27K C26K H26K 120.0 . . ?
C26K C27K C22K 120.0 . . ?
C26K C27K H27K 120.0 . . ?
C22K C27K H27K 120.0 . . ?
C28L O7L H7OL 113(4) . . ?
O8L C28L O7L 124.2(4) . . ?
O8L C28L C29L 125.2(4) . . ?
O7L C28L C29L 110.6(4) . . ?
C31L C29L C30L 114.1(4) . . ?
C31L C29L C28L 106.9(4) . . ?
C30L C29L C28L 111.3(4) . . ?
C31L C29L H29L 108.1 . . ?
C30L C29L H29L 108.1 . . ?
C28L C29L H29L 108.1 . . ?
C29L C30L H30G 109.5 . . ?
C29L C30L H30H 109.5 . . ?
H30G C30L H30H 109.5 . . ?
C29L C30L H30I 109.5 . . ?
H30G C30L H30I 109.5 . . ?
H30H C30L H30I 109.5 . . ?
C36L C31L C32L 118.0(4) . . ?
C36L C31L C29L 122.7(4) . . ?
C32L C31L C29L 119.1(4) . . ?
C33L C32L C31L 120.9(4) . . ?
C33L C32L H32L 119.6 . . ?
C31L C32L H32L 119.6 . . ?
C34L C33L C32L 120.2(5) . . ?
C34L C33L H33L 119.9 . . ?
C32L C33L H33L 119.9 . . ?
C35L C34L C33L 119.4(5) . . ?
C35L C34L H34L 120.3 . . ?
C33L C34L H34L 120.3 . . ?
C34L C35L C36L 120.9(4) . . ?
C34L C35L H35L 119.5 . . ?
C36L C35L H35L 119.5 . . ?
C35L C36L C31L 120.6(4) . . ?
C35L C36L H36L 119.7 . . ?
C31L C36L H36L 119.7 . . ?
C37L O9L H9OL 118(5) . . ?
O10L C37L O9L 122.8(5) . . ?
O10L C37L C38L 124.5(5) . . ?
O9L C37L C38L 112.7(5) . . ?
C40L C38L C37L 112.6(4) . . ?
C40L C38L C39L 110.9(4) . . ?
C37L C38L C39L 110.7(5) . . ?
C40L C38L H38L 107.5 . . ?
C37L C38L H38L 107.5 . . ?
C39L C38L H38L 107.5 . . ?
C38L C39L H39G 109.5 . . ?
C38L C39L H39H 109.5 . . ?
H39G C39L H39H 109.5 . . ?
C38L C39L H39I 109.5 . . ?
H39G C39L H39I 109.5 . . ?
H39H C39L H39I 109.5 . . ?
C41L C40L C45L 118.8(5) . . ?
C41L C40L C38L 120.3(5) . . ?
C45L C40L C38L 120.7(5) . . ?
C40L C41L C42L 120.6(5) . . ?
C40L C41L H41L 119.7 . . ?
C42L C41L H41L 119.7 . . ?
C43L C42L C41L 119.7(6) . . ?
C43L C42L H42L 120.2 . . ?
C41L C42L H42L 120.2 . . ?
C44L C43L C42L 120.4(5) . . ?
C44L C43L H43L 119.8 . . ?
C42L C43L H43L 119.8 . . ?
C43L C44L C45L 120.5(5) . . ?
C43L C44L H44L 119.8 . . ?
C45L C44L H44L 119.8 . . ?
C40L C45L C44L 120.0(5) . . ?
C40L C45L H45L 120.0 . . ?
C44L C45L H45L 120.0 . . ?

_refine_diff_density_max         1.895
_refine_diff_density_min         -1.175
_refine_diff_density_rms         0.099


_exptl_crystal_preparation       ', Magnetic properties,Luminescent'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_R-1
_database_code_depnum_ccdc_archive 'CCDC 1521153'
_audit_update_record             
;
2017-02-24 deposited with the CCDC.
2017-04-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C201 H190 N8 O34 Tb4'
_chemical_formula_weight         3897.28

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

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

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

_cell_length_a                   17.5693(9)
_cell_length_b                   19.2449(10)
_cell_length_c                   26.6290(13)
_cell_angle_alpha                90
_cell_angle_beta                 99.938(2)
_cell_angle_gamma                90
_cell_volume                     8868.7(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9903
_cell_measurement_theta_min      2.35
_cell_measurement_theta_max      30.55

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.459
_exptl_crystal_F_000             3968
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_min          0.182
_exptl_crystal_size_mid          0.226
_exptl_crystal_size_max          0.543
_exptl_absorpt_coefficient_mu    1.653
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6069
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            276795
_diffrn_reflns_av_unetI/netI     0.0410
_diffrn_reflns_av_R_equivalents  0.0437
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         2.254
_diffrn_reflns_theta_max         30.596
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             54300
_reflns_number_gt                49759
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.947
_reflns_Friedel_fraction_max     0.997
_reflns_Friedel_fraction_full    0.999

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          
'Refined as a 2-component inversion twin., Twin'
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0270P)²+19.4626P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.038(7)
_chemical_absolute_configuration rmad
_refine_ls_number_reflns         54300
_refine_ls_number_parameters     2228
_refine_ls_number_restraints     32
_refine_ls_R_factor_all          0.0465
_refine_ls_R_factor_gt           0.0394
_refine_ls_wR_factor_ref         0.0886
_refine_ls_wR_factor_gt          0.0851
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_restrained_S_all      1.051
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb1A Tb 0.31003(2) 0.46713(2) 0.07241(2) 0.01486(5) Uani 1 1 d . . . . .
Tb2A Tb 0.19344(2) 0.50428(2) 0.18437(2) 0.01440(6) Uani 1 1 d . . . . .
O1A O 0.2000(2) 0.3974(2) 0.06435(15) 0.0217(8) Uani 1 1 d . . . . .
O2A O 0.1436(2) 0.4110(2) 0.13287(14) 0.0201(8) Uani 1 1 d . . . . .
O3A O 0.1970(2) 0.53671(19) 0.10097(13) 0.0174(7) Uani 1 1 d . . . . .
O4A O 0.2203(2) 0.5481(2) 0.02320(14) 0.0223(8) Uani 1 1 d . . . . .
O5A O 0.3638(2) 0.5604(2) 0.12419(14) 0.0195(7) Uani 1 1 d . . . . .
O6A O 0.3027(2) 0.5729(2) 0.19089(15) 0.0233(9) Uani 1 1 d . . . . .
O7A O 0.3187(2) 0.4261(2) 0.15605(14) 0.0193(8) Uani 1 1 d . . . . .
O8A O 0.2885(2) 0.4332(2) 0.23300(15) 0.0250(9) Uani 1 1 d . . . . .
O9A O 0.3570(2) 0.3475(2) 0.06490(15) 0.0228(8) Uani 1 1 d D . . . .
O10A O 0.4441(2) 0.4301(2) 0.07987(16) 0.0257(9) Uani 1 1 d . . . . .
O11A O 0.1370(2) 0.6225(2) 0.18129(15) 0.0202(8) Uani 1 1 d D . . . .
O12A O 0.0570(2) 0.5346(2) 0.17646(16) 0.0243(8) Uani 1 1 d . . . . .
N1A N 0.2942(2) 0.4277(2) -0.02139(16) 0.0143(8) Uani 1 1 d . . . . .
N2A N 0.3777(3) 0.5428(3) 0.01189(17) 0.0223(9) Uani 1 1 d . . . . .
N3A N 0.1347(3) 0.4243(2) 0.24516(17) 0.0203(9) Uani 1 1 d . . . . .
N4A N 0.1982(3) 0.5497(3) 0.27481(17) 0.0190(9) Uani 1 1 d . . . . .
C1A C 0.1450(3) 0.3900(3) 0.0885(2) 0.0183(10) Uani 1 1 d . . . . .
C2A C 0.0730(4) 0.3531(3) 0.0599(2) 0.0274(13) Uani 1 1 d . . . . .
H2A H 0.089577 0.326585 0.031361 0.033 Uiso 1 1 calc R U . . .
C3A C 0.0172(5) 0.4104(5) 0.0354(3) 0.058(2) Uani 1 1 d . . . . .
H3A H 0.044369 0.441521 0.015380 0.086 Uiso 1 1 calc R U . . .
H3B H -0.026769 0.389003 0.013091 0.086 Uiso 1 1 calc R U . . .
H3C H -0.001504 0.436966 0.062234 0.086 Uiso 1 1 calc DR U . . .
C5A C 0.0720(8) 0.2318(7) 0.0859(6) 0.037(3) Uani 0.55(3) 1 d . . P A 1
H5A H 0.110223 0.225171 0.065041 0.045 Uiso 0.55(3) 1 calc R U P A 1
C6A C 0.0454(9) 0.1773(9) 0.1115(7) 0.045(4) Uani 0.55(3) 1 d . . P A 1
H6A H 0.064201 0.131700 0.107598 0.054 Uiso 0.55(3) 1 calc R U P A 1
C7A C -0.0085(9) 0.1884(9) 0.1427(6) 0.041(4) Uani 0.55(3) 1 d . . P A 1
H7A H -0.024234 0.149839 0.160723 0.049 Uiso 0.55(3) 1 calc R U P A 1
C8A C -0.0401(9) 0.2509(9) 0.1489(6) 0.040(4) Uani 0.55(3) 1 d . . P A 1
H8A H -0.077161 0.256985 0.170630 0.048 Uiso 0.55(3) 1 calc R U P A 1
C9A C -0.0147(9) 0.3078(10) 0.1211(6) 0.046(4) Uani 0.55(3) 1 d . . P A 1
H9A H -0.037332 0.352189 0.123559 0.056 Uiso 0.55(3) 1 calc R U P A 1
C4A C 0.0387(4) 0.3008(4) 0.0922(3) 0.0468(18) Uani 1 1 d G . . . .
C5C C 0.0543(8) 0.2301(5) 0.0906(5) 0.0468(18) Uani 0.45(3) 1 d G . P A 2
H5C H 0.088279 0.213325 0.069200 0.056 Uiso 0.45(3) 1 calc R U P A 2
C6C C 0.0202(11) 0.1840(5) 0.1202(6) 0.0468(18) Uani 0.45(3) 1 d G . P A 2
H6C H 0.030835 0.135726 0.119077 0.056 Uiso 0.45(3) 1 calc R U P A 2
C7C C -0.0296(9) 0.2086(8) 0.1515(5) 0.0468(18) Uani 0.45(3) 1 d G . P A 2
H7C H -0.052877 0.177133 0.171727 0.056 Uiso 0.45(3) 1 calc R U P A 2
C8C C -0.0452(7) 0.2793(10) 0.1531(5) 0.0468(18) Uani 0.45(3) 1 d G . P A 2
H8C H -0.079145 0.296139 0.174501 0.056 Uiso 0.45(3) 1 calc R U P A 2
C9C C -0.0110(7) 0.3254(6) 0.1235(4) 0.0468(18) Uani 0.45(3) 1 d G . P A 2
H9C H -0.021702 0.373740 0.124624 0.056 Uiso 0.45(3) 1 calc DR U P A 2
C10A C 0.1879(3) 0.5691(3) 0.0591(2) 0.0167(10) Uani 1 1 d . . . . .
C11A C 0.1376(3) 0.6341(3) 0.0519(2) 0.0210(10) Uani 1 1 d . . . . .
H11A H 0.128039 0.648964 0.086219 0.025 Uiso 1 1 calc R U . . .
C12A C 0.0598(3) 0.6144(3) 0.0200(2) 0.0271(12) Uani 1 1 d . . . . .
H12A H 0.067380 0.599662 -0.014012 0.041 Uiso 1 1 calc R U . . .
H12B H 0.025128 0.654665 0.016920 0.041 Uiso 1 1 calc R U . . .
H12C H 0.036864 0.576207 0.036652 0.041 Uiso 1 1 calc R U . . .
C13A C 0.1806(3) 0.6923(3) 0.0307(2) 0.0210(10) Uani 1 1 d . . . . .
C14A C 0.1479(4) 0.7327(3) -0.0105(2) 0.0289(12) Uani 1 1 d . . . . .
H14A H 0.096773 0.723046 -0.027339 0.035 Uiso 1 1 calc R U . . .
C15A C 0.1890(4) 0.7873(4) -0.0275(3) 0.0383(16) Uani 1 1 d . . . . .
H15A H 0.165492 0.814800 -0.055508 0.046 Uiso 1 1 calc R U . . .
C16A C 0.2639(4) 0.8017(3) -0.0037(3) 0.0362(15) Uani 1 1 d . . . . .
H16A H 0.291566 0.839495 -0.014782 0.043 Uiso 1 1 calc R U . . .
C17A C 0.2975(4) 0.7607(3) 0.0360(3) 0.0368(15) Uani 1 1 d . . . . .
H17A H 0.349384 0.769219 0.051835 0.044 Uiso 1 1 calc R U . . .
C18A C 0.2567(4) 0.7075(3) 0.0533(3) 0.0314(13) Uani 1 1 d . . . . .
H18A H 0.280924 0.680161 0.081254 0.038 Uiso 1 1 calc R U . . .
C19A C 0.3580(3) 0.5834(3) 0.1678(2) 0.0170(10) Uani 1 1 d . . . . .
C21A C 0.4706(4) 0.6656(3) 0.1617(2) 0.0311(13) Uani 1 1 d . . . . .
H21A H 0.491892 0.631916 0.140210 0.047 Uiso 1 1 calc R U . . .
H21B H 0.512875 0.691025 0.182610 0.047 Uiso 1 1 calc R U . . .
H21C H 0.437043 0.698345 0.139989 0.047 Uiso 1 1 calc R U . . .
C20A C 0.4241(4) 0.6277(4) 0.1959(2) 0.0293(13) Uani 1 1 d . . . . .
H20A H 0.398260 0.665134 0.212881 0.035 Uiso 1 1 calc R U . B 1
C22A C 0.4693(6) 0.5912(6) 0.2360(4) 0.0213(9) Uani 0.5 1 d . . P C 1
C23A C 0.4844(6) 0.5194(6) 0.2327(4) 0.0213(9) Uani 0.5 1 d . . P C 1
H23A H 0.463864 0.494531 0.202543 0.026 Uiso 0.5 1 calc R U P C 1
C24A C 0.5281(6) 0.4857(6) 0.2723(4) 0.0213(9) Uani 0.5 1 d . . P C 1
H24A H 0.537055 0.437377 0.269001 0.026 Uiso 0.5 1 calc R U P C 1
C25A C 0.5597(7) 0.5181(6) 0.3165(4) 0.0213(9) Uani 0.5 1 d . . P C 1
H25A H 0.591343 0.493085 0.342977 0.026 Uiso 0.5 1 calc R U P C 1
C26A C 0.5448(6) 0.5885(6) 0.3220(4) 0.0213(9) Uani 0.5 1 d . . P C 1
H26A H 0.564590 0.611607 0.353060 0.026 Uiso 0.5 1 calc R U P C 1
C27A C 0.5007(6) 0.6250(6) 0.2819(4) 0.0213(9) Uani 0.5 1 d . . P C 1
H27A H 0.491686 0.673249 0.285529 0.026 Uiso 0.5 1 calc R U P C 1
C22C C 0.4842(7) 0.5642(7) 0.2287(5) 0.075(3) Uani 0.5 1 d G . P C 2
C23C C 0.5168(7) 0.5135(8) 0.2019(4) 0.075(3) Uani 0.5 1 d G . P C 2
H23C H 0.504458 0.512025 0.165752 0.089 Uiso 0.5 1 calc R U P C 2
C24C C 0.5673(7) 0.4649(7) 0.2280(5) 0.075(3) Uani 0.5 1 d G . P C 2
H24C H 0.589474 0.430164 0.209625 0.089 Uiso 0.5 1 calc R U P C 2
C25C C 0.5852(7) 0.4670(7) 0.2809(5) 0.075(3) Uani 0.5 1 d G . P C 2
H25C H 0.619764 0.433756 0.298675 0.089 Uiso 0.5 1 calc R U P C 2
C26C C 0.5527(8) 0.5178(9) 0.3077(4) 0.075(3) Uani 0.5 1 d G . P C 2
H26C H 0.565039 0.519209 0.343853 0.089 Uiso 0.5 1 calc R U P C 2
C27C C 0.5022(8) 0.5664(8) 0.2816(5) 0.075(3) Uani 0.5 1 d G . P C 2
H27C H 0.480023 0.601072 0.299981 0.089 Uiso 0.5 1 calc R U P C 2
C28A C 0.3269(3) 0.4069(3) 0.2019(2) 0.0199(10) Uani 1 1 d . . . . .
C29A C 0.3824(3) 0.3479(3) 0.2229(2) 0.0184(10) Uani 1 1 d . . . . .
H29A H 0.412141 0.363239 0.256512 0.022 Uiso 1 1 calc R U . . .
C30A C 0.4408(3) 0.3281(3) 0.1884(2) 0.0276(12) Uani 1 1 d . . . . .
H30A H 0.413783 0.304729 0.157727 0.041 Uiso 1 1 calc R U . . .
H30B H 0.479895 0.296761 0.206878 0.041 Uiso 1 1 calc R U . . .
H30C H 0.466007 0.370187 0.178570 0.041 Uiso 1 1 calc R U . . .
C31A C 0.3333(3) 0.2856(3) 0.2325(2) 0.0218(11) Uani 1 1 d . . . . .
C32A C 0.2733(4) 0.2629(4) 0.1946(3) 0.0381(16) Uani 1 1 d . . . . .
H32A H 0.262477 0.286578 0.162839 0.046 Uiso 1 1 calc R U . . .
C33A C 0.2296(4) 0.2054(4) 0.2037(4) 0.049(2) Uani 1 1 d . . . . .
H33A H 0.188563 0.190119 0.178016 0.059 Uiso 1 1 calc R U . . .
C34A C 0.2450(4) 0.1706(4) 0.2491(3) 0.0439(19) Uani 1 1 d . . . . .
H34A H 0.214678 0.131513 0.254875 0.053 Uiso 1 1 calc R U . . .
C35A C 0.3047(4) 0.1922(4) 0.2868(3) 0.0393(16) Uani 1 1 d . . . . .
H35A H 0.315459 0.167755 0.318170 0.047 Uiso 1 1 calc R U . . .
C36A C 0.3492(4) 0.2500(3) 0.2786(2) 0.0286(13) Uani 1 1 d . . . . .
H36A H 0.390135 0.264936 0.304469 0.034 Uiso 1 1 calc R U . . .
C37A C 0.4259(3) 0.3689(3) 0.0680(2) 0.0246(12) Uani 1 1 d . . . . .
C38A C 0.4859(4) 0.3187(3) 0.0528(2) 0.0292(13) Uani 1 1 d . . . . .
H38A H 0.465678 0.270231 0.053665 0.035 Uiso 1 1 calc R U . . .
C39A C 0.5632(4) 0.3233(5) 0.0894(3) 0.048(2) Uani 1 1 d . . . . .
H39A H 0.601313 0.293659 0.076987 0.072 Uiso 1 1 calc R U . . .
H39B H 0.556329 0.307733 0.123378 0.072 Uiso 1 1 calc R U . . .
H39C H 0.581398 0.371549 0.091315 0.072 Uiso 1 1 calc R U . . .
C40A C 0.4928(3) 0.3365(3) -0.0025(2) 0.0253(11) Uani 1 1 d . . . . .
C41A C 0.4494(4) 0.2996(3) -0.0426(3) 0.0302(13) Uani 1 1 d . . . . .
H41A H 0.415432 0.263917 -0.035375 0.036 Uiso 1 1 calc R U . . .
C42A C 0.4548(4) 0.3139(4) -0.0926(3) 0.0367(15) Uani 1 1 d . . . . .
H42A H 0.425883 0.287506 -0.119394 0.044 Uiso 1 1 calc R U . . .
C43A C 0.5024(4) 0.3667(4) -0.1036(3) 0.0408(17) Uani 1 1 d . . . . .
H43A H 0.506082 0.376823 -0.138008 0.049 Uiso 1 1 calc R U . . .
C44A C 0.5450(4) 0.4052(4) -0.0643(3) 0.0398(16) Uani 1 1 d . . . . .
H44A H 0.577554 0.441758 -0.071917 0.048 Uiso 1 1 calc R U . . .
C45A C 0.5400(4) 0.3903(4) -0.0136(2) 0.0327(13) Uani 1 1 d . . . . .
H45A H 0.568852 0.416836 0.013166 0.039 Uiso 1 1 calc R U . . .
C46A C 0.0699(3) 0.5983(3) 0.1821(2) 0.0181(10) Uani 1 1 d . . . . .
C47A C 0.0062(4) 0.6480(3) 0.1921(2) 0.0273(12) Uani 1 1 d . . . . .
H47A H 0.031813 0.689568 0.210287 0.033 Uiso 1 1 calc R U . . .
C48A C -0.0433(5) 0.6146(5) 0.2267(3) 0.056(2) Uani 1 1 d . . . . .
H48A H -0.084001 0.647088 0.232279 0.084 Uiso 1 1 calc R U . . .
H48B H -0.011105 0.603060 0.259420 0.084 Uiso 1 1 calc R U . . .
H48C H -0.066865 0.572175 0.210640 0.084 Uiso 1 1 calc R U . . .
C49A C -0.0399(3) 0.6729(3) 0.1415(2) 0.0231(12) Uani 1 1 d . . . . .
C50A C -0.0130(4) 0.7297(3) 0.1170(2) 0.0289(12) Uani 1 1 d . . . . .
H50A H 0.033249 0.752409 0.132230 0.035 Uiso 1 1 calc R U . . .
C51A C -0.0531(4) 0.7534(4) 0.0708(3) 0.0387(15) Uani 1 1 d . . . . .
H51A H -0.034321 0.792241 0.054578 0.046 Uiso 1 1 calc R U . . .
C52A C -0.1200(4) 0.7208(4) 0.0483(3) 0.0391(16) Uani 1 1 d . . . . .
H52A H -0.147292 0.736868 0.016486 0.047 Uiso 1 1 calc R U . . .
C53A C -0.1473(4) 0.6646(4) 0.0720(3) 0.0418(17) Uani 1 1 d . . . . .
H53A H -0.193752 0.642263 0.056715 0.050 Uiso 1 1 calc R U . . .
C54A C -0.1068(4) 0.6407(3) 0.1182(3) 0.0336(14) Uani 1 1 d . . . . .
H54A H -0.125541 0.601460 0.134046 0.040 Uiso 1 1 calc R U . . .
C55A C 0.2537(3) 0.3713(3) -0.0381(2) 0.0179(10) Uani 1 1 d . . . . .
H55A H 0.230564 0.345135 -0.014526 0.021 Uiso 1 1 calc R U . . .
C56A C 0.2437(3) 0.3486(3) -0.0888(2) 0.0206(10) Uani 1 1 d . . . . .
H56A H 0.215125 0.307536 -0.099008 0.025 Uiso 1 1 calc R U . . .
C57A C 0.2756(3) 0.3865(3) -0.1235(2) 0.0208(10) Uani 1 1 d . . . . .
H57A H 0.269181 0.372005 -0.158075 0.025 Uiso 1 1 calc R U . . .
C58A C 0.3179(3) 0.4466(3) -0.1077(2) 0.0179(10) Uani 1 1 d . . . . .
C59A C 0.3261(3) 0.4654(3) -0.05568(17) 0.0153(8) Uani 1 1 d . . . . .
C60A C 0.3692(3) 0.5259(3) -0.0374(2) 0.0216(11) Uani 1 1 d . . . . .
C61A C 0.3516(3) 0.4890(3) -0.1420(2) 0.0206(11) Uani 1 1 d . . . . .
H61A H 0.343871 0.477426 -0.177217 0.025 Uiso 1 1 calc R U . . .
C62A C 0.3941(3) 0.5450(3) -0.1252(2) 0.0214(11) Uani 1 1 d . . . . .
H62A H 0.417752 0.571321 -0.148519 0.026 Uiso 1 1 calc R U . . .
C63A C 0.4044(3) 0.5657(3) -0.0728(2) 0.0227(11) Uani 1 1 d . . . . .
C64A C 0.4460(4) 0.6247(4) -0.0551(3) 0.0373(17) Uani 1 1 d . . . . .
H64A H 0.470497 0.651966 -0.077450 0.045 Uiso 1 1 calc R U . . .
C65A C 0.4513(5) 0.6430(4) -0.0049(3) 0.048(2) Uani 1 1 d . . . . .
H65A H 0.478069 0.683890 0.007899 0.057 Uiso 1 1 calc R U . . .
C66A C 0.4161(4) 0.5999(4) 0.0275(2) 0.0367(16) Uani 1 1 d . . . . .
H66A H 0.420275 0.612816 0.062265 0.044 Uiso 1 1 calc R U . . .
C67A C 0.1083(4) 0.3614(3) 0.2321(2) 0.0319(14) Uani 1 1 d . . . . .
H67A H 0.107952 0.346636 0.197988 0.038 Uiso 1 1 calc R U . . .
C68A C 0.0805(5) 0.3150(4) 0.2655(3) 0.0436(18) Uani 1 1 d . . . . .
H68A H 0.062932 0.269947 0.254368 0.052 Uiso 1 1 calc R U . . .
C69A C 0.0795(5) 0.3362(4) 0.3141(3) 0.0415(17) Uani 1 1 d . . . . .
H69A H 0.060170 0.306188 0.337345 0.050 Uiso 1 1 calc R U . . .
C70A C 0.1069(4) 0.4021(3) 0.3297(2) 0.0279(12) Uani 1 1 d . . . . .
C71A C 0.1351(3) 0.4447(3) 0.2938(2) 0.0209(11) Uani 1 1 d . . . . .
C72A C 0.1688(3) 0.5113(3) 0.3096(2) 0.0189(10) Uani 1 1 d . . . . .
C73A C 0.1096(4) 0.4266(4) 0.3805(2) 0.0356(15) Uani 1 1 d . . . . .
H73A H 0.089933 0.398119 0.404476 0.043 Uiso 1 1 calc R U . . .
C74A C 0.1393(4) 0.4892(4) 0.3952(2) 0.0330(15) Uani 1 1 d . . . . .
H74A H 0.140060 0.504268 0.429283 0.040 Uiso 1 1 calc R U . . .
C75A C 0.1698(3) 0.5334(3) 0.3602(2) 0.0242(12) Uani 1 1 d . . . . .
C76A C 0.2026(3) 0.5989(3) 0.3737(2) 0.0281(13) Uani 1 1 d . . . . .
H76A H 0.204057 0.616327 0.407246 0.034 Uiso 1 1 calc R U . . .
C77A C 0.2325(4) 0.6374(3) 0.3385(2) 0.0267(12) Uani 1 1 d . . . . .
H77A H 0.254986 0.681528 0.347421 0.032 Uiso 1 1 calc R U . . .
C78A C 0.2296(3) 0.6110(3) 0.2890(2) 0.0201(10) Uani 1 1 d . . . . .
H78A H 0.250770 0.637920 0.264853 0.024 Uiso 1 1 calc R U . . .
Tb1B Tb 0.80312(2) 0.01640(2) 0.31353(2) 0.01599(6) Uani 1 1 d . . . . .
Tb2B Tb 0.70679(2) -0.03460(2) 0.42891(2) 0.01510(5) Uani 1 1 d . . . . .
O1B O 0.8583(2) -0.0846(2) 0.35189(14) 0.0194(7) Uani 1 1 d . . . . .
O2B O 0.8130(2) -0.1058(2) 0.42390(15) 0.0196(8) Uani 1 1 d . . . . .
O3B O 0.6961(2) -0.05339(19) 0.34225(13) 0.0172(7) Uani 1 1 d . . . . .
O4B O 0.7039(2) -0.0562(2) 0.26113(13) 0.0215(8) Uani 1 1 d . . . . .
O5B O 0.6976(2) 0.0878(2) 0.31750(15) 0.0203(8) Uani 1 1 d . . . . .
O6B O 0.6461(2) 0.0639(2) 0.38671(14) 0.0211(8) Uani 1 1 d . . . . .
O7B O 0.8137(2) 0.0376(2) 0.40128(14) 0.0181(8) Uani 1 1 d . . . . .
O8B O 0.8104(2) 0.0263(2) 0.48260(14) 0.0249(8) Uani 1 1 d . . . . .
O10B O 0.8631(3) 0.1342(2) 0.32481(17) 0.0273(9) Uani 1 1 d D . . . .
O9B O 0.9400(2) 0.0448(2) 0.32584(17) 0.0268(9) Uani 1 1 d . . . . .
O11B O 0.5776(2) -0.0780(2) 0.43536(16) 0.0243(8) Uani 1 1 d D . . . .
O12B O 0.6571(2) -0.1572(2) 0.41692(14) 0.0209(8) Uani 1 1 d . . . . .
N1B N 0.8618(2) -0.0419(3) 0.24048(16) 0.0202(8) Uani 1 1 d . . . . .
N2B N 0.7868(3) 0.0822(3) 0.22749(19) 0.0256(10) Uani 1 1 d . . . . .
N3B N 0.7176(3) -0.0944(2) 0.51574(16) 0.0176(9) Uani 1 1 d . . . . .
N4B N 0.6554(3) 0.0349(2) 0.49864(16) 0.0191(9) Uani 1 1 d . . . . .
C1B C 0.8623(3) -0.1115(3) 0.3953(2) 0.0169(9) Uani 1 1 d . . . . .
C2B C 0.9367(3) -0.1503(3) 0.4180(2) 0.0232(11) Uani 1 1 d . . . . .
H2B H 0.921256 -0.190681 0.437629 0.028 Uiso 1 1 calc R U . . .
C3B C 0.9842(4) -0.1014(4) 0.4564(2) 0.0358(15) Uani 1 1 d . . . . .
H3D H 0.999171 -0.060372 0.438529 0.054 Uiso 1 1 calc R U . . .
H3E H 1.030673 -0.125459 0.473420 0.054 Uiso 1 1 calc R U . . .
H3F H 0.953153 -0.086855 0.481776 0.054 Uiso 1 1 calc R U . . .
C4B C 0.9826(3) -0.1793(3) 0.3793(2) 0.0284(12) Uani 1 1 d . . . . .
C5B C 0.9877(4) -0.2501(4) 0.3730(3) 0.0438(17) Uani 1 1 d . . . . .
H5B H 0.959023 -0.279888 0.391214 0.053 Uiso 1 1 calc R U . . .
C6B C 1.0331(5) -0.2794(5) 0.3410(4) 0.059(3) Uani 1 1 d . . . . .
H6B H 1.035891 -0.328423 0.337627 0.070 Uiso 1 1 calc R U . . .
C7B C 1.0743(5) -0.2366(5) 0.3140(3) 0.055(2) Uani 1 1 d . . . . .
H7B H 1.106712 -0.255939 0.292513 0.066 Uiso 1 1 calc R U . . .
C8B C 1.0684(4) -0.1658(5) 0.3183(3) 0.0455(19) Uani 1 1 d . . . . .
H8B H 1.094923 -0.136390 0.298493 0.055 Uiso 1 1 calc R U . . .
C9B C 1.0238(4) -0.1365(4) 0.3516(3) 0.0340(14) Uani 1 1 d . . . . .
H9B H 1.021710 -0.087453 0.355260 0.041 Uiso 1 1 calc R U . . .
C10B C 0.6698(3) -0.0733(3) 0.29666(19) 0.0167(10) Uani 1 1 d . . . . .
C11B C 0.5954(3) -0.1146(3) 0.2874(2) 0.0196(10) Uani 1 1 d . . . . .
H11B H 0.591767 -0.140817 0.319326 0.023 Uiso 1 1 calc R U . . .
C12B C 0.5933(3) -0.1672(3) 0.2443(2) 0.0278(12) Uani 1 1 d . . . . .
H12D H 0.597430 -0.142761 0.212569 0.042 Uiso 1 1 calc R U . . .
H12E H 0.544509 -0.193022 0.239852 0.042 Uiso 1 1 calc R U . . .
H12F H 0.636616 -0.199670 0.252691 0.042 Uiso 1 1 calc R U . . .
C13B C 0.5270(3) -0.0637(3) 0.2773(2) 0.0201(10) Uani 1 1 d . . . . .
C14B C 0.5135(3) -0.0233(3) 0.2337(2) 0.0257(11) Uani 1 1 d . . . . .
H14B H 0.547792 -0.026480 0.209877 0.031 Uiso 1 1 calc R U . . .
C15B C 0.4515(3) 0.0217(3) 0.2241(3) 0.0316(13) Uani 1 1 d . . . . .
H15B H 0.443524 0.049294 0.194112 0.038 Uiso 1 1 calc R U . . .
C16B C 0.4009(3) 0.0262(4) 0.2587(3) 0.0368(15) Uani 1 1 d . . . . .
H16B H 0.357182 0.055979 0.252064 0.044 Uiso 1 1 calc R U . . .
C17B C 0.4145(3) -0.0131(3) 0.3032(3) 0.0338(14) Uani 1 1 d . . . . .
H17B H 0.380568 -0.009236 0.327254 0.041 Uiso 1 1 calc R U . . .
C18B C 0.4769(3) -0.0579(3) 0.3126(2) 0.0262(11) Uani 1 1 d . . . . .
H18B H 0.485782 -0.084557 0.343092 0.031 Uiso 1 1 calc R U . . .
C19B C 0.6445(3) 0.0910(3) 0.3433(2) 0.0171(10) Uani 1 1 d . . . . .
C20B C 0.5691(3) 0.1276(3) 0.3194(2) 0.0191(10) Uani 1 1 d . . . . .
H20B H 0.527879 0.091214 0.315265 0.023 Uiso 1 1 calc R U . . .
C21B C 0.5710(4) 0.1559(3) 0.2662(2) 0.0276(12) Uani 1 1 d . . . . .
H21D H 0.587681 0.119189 0.245071 0.041 Uiso 1 1 calc R U . . .
H21E H 0.607225 0.194957 0.268555 0.041 Uiso 1 1 calc R U . . .
H21F H 0.519195 0.171827 0.250821 0.041 Uiso 1 1 calc R U . . .
C22B C 0.5440(3) 0.1832(3) 0.3538(2) 0.0201(10) Uani 1 1 d . . . . .
C23B C 0.5700(4) 0.2515(3) 0.3529(3) 0.0359(15) Uani 1 1 d . . . . .
H23B H 0.606713 0.263050 0.331962 0.043 Uiso 1 1 calc R U . . .
C24B C 0.5428(5) 0.3038(4) 0.3825(3) 0.0448(18) Uani 1 1 d . . . . .
H24B H 0.561383 0.350090 0.381581 0.054 Uiso 1 1 calc R U . . .
C25B C 0.4895(5) 0.2873(4) 0.4127(3) 0.0429(18) Uani 1 1 d . . . . .
H25B H 0.470257 0.322356 0.432325 0.052 Uiso 1 1 calc R U . . .
C26B C 0.4638(5) 0.2197(4) 0.4144(3) 0.044(2) Uani 1 1 d . . . . .
H26B H 0.426865 0.208483 0.435271 0.053 Uiso 1 1 calc R U . . .
C27B C 0.4915(4) 0.1676(4) 0.3856(2) 0.0315(14) Uani 1 1 d . . . . .
H27B H 0.474159 0.121123 0.387865 0.038 Uiso 1 1 calc R U . . .
C28B C 0.8377(3) 0.0553(3) 0.4475(2) 0.0203(10) Uani 1 1 d . . . . .
C29B C 0.8951(3) 0.1140(3) 0.4601(2) 0.0280(13) Uani 1 1 d . . . . .
H29B H 0.916902 0.125712 0.428849 0.034 Uiso 1 1 calc R U . . .
C30B C 0.9607(4) 0.0909(4) 0.5017(3) 0.0433(17) Uani 1 1 d . . . . .
H30D H 0.987268 0.051050 0.489664 0.065 Uiso 1 1 calc R U . . .
H30E H 0.939675 0.077409 0.532121 0.065 Uiso 1 1 calc R U . . .
H30F H 0.997312 0.129205 0.510270 0.065 Uiso 1 1 calc R U . . .
C31B C 0.8488(3) 0.1765(3) 0.4741(2) 0.0260(12) Uani 1 1 d . . . . .
C32B C 0.8617(4) 0.2058(4) 0.5226(3) 0.0365(15) Uani 1 1 d . . . . .
H32B H 0.901670 0.187804 0.547843 0.044 Uiso 1 1 calc R U . . .
C33B C 0.8173(5) 0.2604(4) 0.5346(3) 0.0472(19) Uani 1 1 d . . . . .
H33B H 0.827470 0.280197 0.567789 0.057 Uiso 1 1 calc R U . . .
C34B C 0.7590(5) 0.2862(4) 0.4990(4) 0.051(2) Uani 1 1 d . . . . .
H34B H 0.727503 0.322983 0.507575 0.061 Uiso 1 1 calc R U . . .
C35B C 0.7459(5) 0.2582(4) 0.4500(3) 0.0476(19) Uani 1 1 d . . . . .
H35B H 0.705852 0.276469 0.424870 0.057 Uiso 1 1 calc R U . . .
C36B C 0.7913(4) 0.2038(3) 0.4378(3) 0.0351(14) Uani 1 1 d . . . . .
H36B H 0.782596 0.185254 0.404199 0.042 Uiso 1 1 calc R U . . .
C37B C 0.9304(4) 0.1094(3) 0.3256(2) 0.0260(12) Uani 1 1 d . . . . .
C38B C 0.9981(4) 0.1585(3) 0.3253(3) 0.0392(17) Uani 1 1 d . . . . .
H38B H 0.978314 0.203476 0.309387 0.047 Uiso 1 1 calc R U . D 1
C39B C 1.0550(4) 0.1266(4) 0.2939(3) 0.0432(18) Uani 1 1 d . . . . .
H39D H 1.069898 0.079991 0.306794 0.065 Uiso 1 1 calc R U . . .
H39E H 1.101072 0.155972 0.296710 0.065 Uiso 1 1 calc R U . . .
H39F H 1.030157 0.123483 0.258034 0.065 Uiso 1 1 calc R U . . .
C40B C 1.0393(11) 0.1730(9) 0.3849(6) 0.0279(15) Uani 0.5 1 d . . P E 1
C41B C 1.0951(10) 0.1298(7) 0.4103(6) 0.0279(15) Uani 0.5 1 d . . P E 1
H41B H 1.109370 0.089256 0.393840 0.033 Uiso 0.5 1 calc R U P E 1
C42B C 1.1315(8) 0.1448(7) 0.4602(5) 0.0279(15) Uani 0.5 1 d . . P E 1
H42B H 1.169967 0.114243 0.477284 0.033 Uiso 0.5 1 calc R U P E 1
C43B C 1.1120(8) 0.2029(7) 0.4845(6) 0.0279(15) Uani 0.5 1 d . . P E 1
H43B H 1.137583 0.213804 0.518021 0.033 Uiso 0.5 1 calc R U P E 1
C44B C 1.0540(9) 0.2459(7) 0.4594(6) 0.0279(15) Uani 0.5 1 d . . P E 1
H44B H 1.039256 0.286131 0.475989 0.033 Uiso 0.5 1 calc R U P E 1
C45B C 1.0176(8) 0.2303(8) 0.4102(6) 0.0279(15) Uani 0.5 1 d . . P E 1
H45B H 0.977259 0.259401 0.393687 0.033 Uiso 0.5 1 calc R U P E 1
C40D C 1.0262(14) 0.1809(13) 0.3729(9) 0.052(3) Uani 0.5 1 d . . P E 2
C41D C 1.0903(14) 0.1494(9) 0.4002(9) 0.052(3) Uani 0.5 1 d . . P E 2
H41D H 1.113744 0.111990 0.385280 0.063 Uiso 0.5 1 calc R U P E 2
C42D C 1.1223(11) 0.1716(9) 0.4500(8) 0.052(3) Uani 0.5 1 d . . P E 2
H42D H 1.166981 0.149193 0.467996 0.063 Uiso 0.5 1 calc R U P E 2
C43D C 1.0891(12) 0.2253(10) 0.4724(9) 0.052(3) Uani 0.5 1 d . . P E 2
H43D H 1.110150 0.240447 0.505894 0.063 Uiso 0.5 1 calc R U P E 2
C44D C 1.0258(11) 0.2561(10) 0.4457(8) 0.052(3) Uani 0.5 1 d . . P E 2
H44D H 1.002865 0.293541 0.460934 0.063 Uiso 0.5 1 calc R U P E 2
C45D C 0.9924(11) 0.2353(11) 0.3966(9) 0.052(3) Uani 0.5 1 d D . P E 2
H45D H 0.954(7) 0.258(8) 0.376(6) 0.063 Uiso 0.5 1 d D U P F 2
C46B C 0.5952(3) -0.1418(3) 0.43187(19) 0.0189(10) Uani 1 1 d . . . . .
C47B C 0.5421(3) -0.1972(3) 0.4474(2) 0.0235(11) Uani 1 1 d . . . . .
H47B H 0.527868 -0.182837 0.480646 0.028 Uiso 1 1 calc R U . . .
C48B C 0.5829(4) -0.2677(3) 0.4553(2) 0.0322(13) Uani 1 1 d . . . . .
H48D H 0.598734 -0.282478 0.423424 0.048 Uiso 1 1 calc R U . . .
H48E H 0.547458 -0.302207 0.465522 0.048 Uiso 1 1 calc R U . . .
H48F H 0.628586 -0.263589 0.482040 0.048 Uiso 1 1 calc R U . . .
C49B C 0.4684(3) -0.1990(3) 0.4079(2) 0.0233(11) Uani 1 1 d . . . . .
C50B C 0.4678(4) -0.2290(3) 0.3602(2) 0.0309(13) Uani 1 1 d . . . . .
H50B H 0.512964 -0.250613 0.352368 0.037 Uiso 1 1 calc R U . . .
C51B C 0.4000(4) -0.2268(4) 0.3241(3) 0.0440(18) Uani 1 1 d . . . . .
H51B H 0.399018 -0.247418 0.291571 0.053 Uiso 1 1 calc R U . . .
C52B C 0.3340(4) -0.1950(4) 0.3352(4) 0.052(2) Uani 1 1 d . . . . .
H52B H 0.288209 -0.193523 0.310383 0.063 Uiso 1 1 calc R U . . .
C53B C 0.3356(4) -0.1654(4) 0.3827(4) 0.048(2) Uani 1 1 d . . . . .
H53B H 0.290652 -0.143422 0.390583 0.057 Uiso 1 1 calc R U . . .
C54B C 0.4019(4) -0.1678(3) 0.4185(3) 0.0373(15) Uani 1 1 d . . . . .
H54B H 0.402200 -0.147716 0.451140 0.045 Uiso 1 1 calc R U . . .
C55B C 0.8972(3) -0.1020(3) 0.2462(2) 0.0287(12) Uani 1 1 d . . . . .
H55B H 0.898879 -0.125751 0.277632 0.034 Uiso 1 1 calc R U . . .
C56B C 0.9334(4) -0.1338(4) 0.2082(3) 0.0374(15) Uani 1 1 d . . . . .
H56B H 0.960215 -0.176718 0.214198 0.045 Uiso 1 1 calc R U . . .
C57B C 0.9278(4) -0.0996(4) 0.1622(2) 0.0361(15) Uani 1 1 d . . . . .
H57B H 0.949955 -0.119737 0.135493 0.043 Uiso 1 1 calc R U . . .
C58B C 0.8900(3) -0.0360(4) 0.1544(2) 0.0293(12) Uani 1 1 d . . . . .
C59B C 0.8568(3) -0.0079(3) 0.19411(19) 0.0244(12) Uani 1 1 d . . . . .
C60B C 0.8168(3) 0.0565(3) 0.1875(2) 0.0215(10) Uani 1 1 d . . . . .
C61B C 0.8793(4) -0.0001(4) 0.1061(2) 0.0329(14) Uani 1 1 d . . . . .
H61B H 0.900339 -0.019267 0.078589 0.039 Uiso 1 1 calc R U . . .
C62B C 0.8402(4) 0.0599(4) 0.0994(2) 0.0342(15) Uani 1 1 d . . . . .
H62B H 0.833198 0.081961 0.066973 0.041 Uiso 1 1 calc R U . . .
C63B C 0.8086(3) 0.0914(4) 0.1400(2) 0.0289(13) Uani 1 1 d . . . . .
C64B C 0.7684(4) 0.1539(4) 0.1348(3) 0.0371(16) Uani 1 1 d . . . . .
H64B H 0.761059 0.178166 0.103302 0.045 Uiso 1 1 calc R U . . .
C65B C 0.7395(4) 0.1804(4) 0.1754(3) 0.0431(18) Uani 1 1 d . . . . .
H65B H 0.712729 0.223459 0.172654 0.052 Uiso 1 1 calc R U . . .
C66B C 0.7502(4) 0.1427(4) 0.2213(3) 0.0356(15) Uani 1 1 d . . . . .
H66B H 0.730208 0.161479 0.249303 0.043 Uiso 1 1 calc R U . . .
C67B C 0.7508(4) -0.1564(3) 0.5245(2) 0.0244(11) Uani 1 1 d . . . . .
H67B H 0.774435 -0.176937 0.498625 0.029 Uiso 1 1 calc R U . . .
C68B C 0.7522(4) -0.1930(3) 0.5708(2) 0.0296(13) Uani 1 1 d . . . . .
H68B H 0.775071 -0.237771 0.575418 0.036 Uiso 1 1 calc R U . . .
C69B C 0.7202(4) -0.1628(3) 0.6085(2) 0.0310(14) Uani 1 1 d . . . . .
H69B H 0.720311 -0.186602 0.639777 0.037 Uiso 1 1 calc R U . . .
C70B C 0.6872(3) -0.0967(3) 0.6011(2) 0.0260(12) Uani 1 1 d . . . . .
C71B C 0.6858(3) -0.0640(3) 0.5530(2) 0.0209(11) Uani 1 1 d . . . . .
C72B C 0.6535(3) 0.0046(3) 0.54436(19) 0.0205(10) Uani 1 1 d . . . . .
C73B C 0.6551(4) -0.0606(4) 0.6400(2) 0.0320(15) Uani 1 1 d . . . . .
H73B H 0.654777 -0.082599 0.671850 0.038 Uiso 1 1 calc R U . . .
C74B C 0.6253(3) 0.0040(4) 0.6319(2) 0.0293(13) Uani 1 1 d . . . . .
H74B H 0.604924 0.026852 0.658308 0.035 Uiso 1 1 calc R U . . .
C75B C 0.6241(3) 0.0382(3) 0.5843(2) 0.0241(12) Uani 1 1 d . . . . .
C76B C 0.5985(3) 0.1068(4) 0.5755(2) 0.0310(13) Uani 1 1 d . . . . .
H76B H 0.577832 0.131209 0.601097 0.037 Uiso 1 1 calc R U . . .
C77B C 0.6031(3) 0.1387(3) 0.5302(2) 0.0281(12) Uani 1 1 d . . . . .
H77B H 0.587854 0.185769 0.524526 0.034 Uiso 1 1 calc R U . . .
C78B C 0.6310(3) 0.1002(3) 0.4924(2) 0.0240(11) Uani 1 1 d . . . . .
H78B H 0.632357 0.122034 0.460528 0.029 Uiso 1 1 calc R U . . .
O1L O 0.2828(3) 0.2296(3) 0.0574(2) 0.0475(14) Uani 1 1 d D . . . .
H1OL H 0.311(4) 0.263(3) 0.060(4) 0.071 Uiso 1 1 d D U . . .
O2L O 0.3902(3) 0.1786(3) 0.0986(2) 0.0483(13) Uani 1 1 d . . . . .
C1L C 0.3227(4) 0.1761(4) 0.0791(3) 0.0423(17) Uani 1 1 d . . . . .
C2L C 0.2752(5) 0.1090(5) 0.0755(4) 0.060(3) Uani 1 1 d . . . . .
H2L H 0.220066 0.121252 0.076045 0.072 Uiso 1 1 calc R U . . .
C3L C 0.3041(6) 0.0620(5) 0.1212(4) 0.070(3) Uani 1 1 d . . . . .
H3LA H 0.271543 0.020424 0.119417 0.105 Uiso 1 1 calc R U . . .
H3LB H 0.301718 0.087191 0.152833 0.105 Uiso 1 1 calc R U . . .
H3LC H 0.357657 0.048230 0.120508 0.105 Uiso 1 1 calc R U . . .
C4L C 0.2796(6) 0.0710(4) 0.0253(3) 0.108(2) Uani 1 1 d G . . . .
C5L C 0.3415(5) 0.0787(4) -0.0004(3) 0.108(2) Uani 1 1 d G . . . .
H5L H 0.382962 0.108927 0.012736 0.129 Uiso 1 1 calc R U . . .
C6L C 0.3427(5) 0.0423(4) -0.0453(3) 0.108(2) Uani 1 1 d G . . . .
H6L H 0.385058 0.047646 -0.062910 0.129 Uiso 1 1 calc R U . . .
C7L C 0.2821(6) -0.0018(4) -0.0645(3) 0.108(2) Uani 1 1 d G . . . .
H7L H 0.282928 -0.026709 -0.095248 0.129 Uiso 1 1 calc R U . . .
C8L C 0.2202(5) -0.0096(4) -0.0388(3) 0.108(2) Uani 1 1 d G . . . .
H8L H 0.178700 -0.039784 -0.051939 0.129 Uiso 1 1 calc R U . . .
C9L C 0.2189(5) 0.0268(4) 0.0061(3) 0.108(2) Uani 1 1 d G . . . .
H9L H 0.176603 0.021496 0.023707 0.129 Uiso 1 1 calc R U . . .
O3L O 0.1752(3) 0.7483(3) 0.1617(2) 0.0478(14) Uani 1 1 d D . . . .
H3OL H 0.166(6) 0.7142(17) 0.1763(17) 0.072 Uiso 1 1 d D U . . .
O4L O 0.2789(4) 0.7448(3) 0.2195(3) 0.077(2) Uani 1 1 d . . . . .
C10L C 0.2413(4) 0.7726(3) 0.1846(2) 0.0287(12) Uani 1 1 d . . . . .
C11L C 0.2622(4) 0.8403(3) 0.1607(3) 0.0307(13) Uani 1 1 d . . . . .
H11L H 0.261061 0.831042 0.123646 0.037 Uiso 1 1 calc R U . . .
C12L C 0.3448(4) 0.8624(4) 0.1834(3) 0.0431(18) Uani 1 1 d . . . . .
H12G H 0.380677 0.824775 0.179072 0.065 Uiso 1 1 calc R U . . .
H12H H 0.347955 0.872355 0.219810 0.065 Uiso 1 1 calc R U . . .
H12I H 0.358442 0.904134 0.165888 0.065 Uiso 1 1 calc R U . . .
C13L C 0.2031(4) 0.8962(3) 0.1645(3) 0.0307(13) Uani 1 1 d . . . . .
C14L C 0.1513(4) 0.9157(4) 0.1218(3) 0.0471(18) Uani 1 1 d . . . . .
H14L H 0.152342 0.893946 0.089853 0.056 Uiso 1 1 calc R U . . .
C15L C 0.0970(4) 0.9679(6) 0.1261(4) 0.065(2) Uani 1 1 d . . . . .
H15L H 0.061794 0.982095 0.096690 0.078 Uiso 1 1 calc R U . . .
C16L C 0.0941(5) 0.9989(5) 0.1723(4) 0.063(3) Uani 1 1 d . . . . .
H16L H 0.056718 1.033788 0.174942 0.076 Uiso 1 1 calc R U . . .
C17L C 0.1451(5) 0.9793(4) 0.2141(4) 0.054(2) Uani 1 1 d . . . . .
H17L H 0.143589 1.001013 0.245913 0.064 Uiso 1 1 calc R U . . .
C18L C 0.2001(4) 0.9273(4) 0.2110(3) 0.0410(16) Uani 1 1 d . . . . .
H18L H 0.235032 0.913568 0.240604 0.049 Uiso 1 1 calc R U . . .
O5L O 0.8622(5) 0.2705(4) 0.3269(4) 0.031(2) Uani 0.5 1 d D . P G 1
H5OL H 0.862(10) 0.2290(9) 0.327(6) 0.047 Uiso 0.5 1 d D U P H 1
O6L O 0.7334(5) 0.2706(4) 0.3104(4) 0.0267(18) Uani 0.5 1 d . . P G 1
C19L C 0.7930(7) 0.3014(5) 0.3182(5) 0.025(2) Uani 0.5 1 d D . P G 1
C20L C 0.8011(13) 0.3815(7) 0.3193(8) 0.058(4) Uani 0.5 1 d D . P G 1
H20L H 0.846781 0.393512 0.345860 0.069 Uiso 0.5 1 calc R U P G 1
C21L C 0.7311(15) 0.4128(11) 0.3355(10) 0.092(6) Uani 0.5 1 d . . P G 1
H21G H 0.724375 0.460541 0.322760 0.138 Uiso 0.5 1 calc R U P G 1
H21H H 0.737678 0.412945 0.372790 0.138 Uiso 0.5 1 calc R U P G 1
H21I H 0.685408 0.385255 0.321480 0.138 Uiso 0.5 1 calc R U P G 1
C22L C 0.8206(12) 0.4016(12) 0.2672(11) 0.070(2) Uani 0.5 1 d . . P G 1
C23L C 0.8896(11) 0.4253(11) 0.2592(9) 0.070(2) Uani 0.5 1 d . . P G 1
H23L H 0.929533 0.432651 0.287606 0.085 Uiso 0.5 1 calc R U P G 1
C24L C 0.9039(11) 0.4393(11) 0.2103(9) 0.070(2) Uani 0.5 1 d . . P G 1
H24L H 0.953416 0.455657 0.206166 0.085 Uiso 0.5 1 calc R U P G 1
C25L C 0.8485(10) 0.4299(11) 0.1686(9) 0.070(2) Uani 0.5 1 d . . P G 1
H25L H 0.857762 0.445954 0.136476 0.085 Uiso 0.5 1 calc R U P G 1
C26L C 0.7793(11) 0.3979(11) 0.1715(10) 0.070(2) Uani 0.5 1 d . . P G 1
H26L H 0.748287 0.375130 0.143593 0.085 Uiso 0.5 1 calc R U P G 1
C27L C 0.7555(12) 0.4038(12) 0.2305(10) 0.070(2) Uani 0.5 1 d . . P G 1
H27L H 0.704300 0.408084 0.237221 0.085 Uiso 0.5 1 calc R U P G 1
O5K O 0.7894(9) 0.2536(5) 0.3069(5) 0.054(3) Uani 0.5 1 d D . P I 2
H5OK H 0.806(6) 0.215(4) 0.313(8) 0.082 Uiso 0.5 1 d D U P J 2
O6K O 0.8634(11) 0.2761(8) 0.2449(6) 0.088(5) Uani 0.5 1 d . . P I 2
C19K C 0.8178(15) 0.2936(9) 0.2728(8) 0.067(6) Uani 0.5 1 d . . P I 2
C20K C 0.7892(13) 0.3716(9) 0.2731(7) 0.058(4) Uani 0.5 1 d D . P I 2
H20K H 0.734572 0.365756 0.278309 0.069 Uiso 0.5 1 calc R U P I 2
C21K C 0.7790(17) 0.3888(12) 0.2182(11) 0.092(6) Uani 0.5 1 d D . P I 2
H21J H 0.731724 0.366845 0.200280 0.138 Uiso 0.5 1 calc R U P I 2
H21K H 0.823487 0.371692 0.204165 0.138 Uiso 0.5 1 calc R U P I 2
H21L H 0.775045 0.439337 0.213837 0.138 Uiso 0.5 1 calc R U P I 2
C22K C 0.8234(18) 0.3995(16) 0.3188(14) 0.101(4) Uani 0.5 1 d D . P I 2
C23K C 0.8059(16) 0.3924(13) 0.3665(10) 0.101(4) Uani 0.5 1 d D . P I 2
H23K H 0.761808 0.366486 0.371472 0.122 Uiso 0.5 1 calc R U P I 2
C24K C 0.8531(14) 0.4233(12) 0.4080(11) 0.101(4) Uani 0.5 1 d D . P I 2
H24K H 0.840111 0.419804 0.441122 0.122 Uiso 0.5 1 calc R U P I 2
C25K C 0.9184(14) 0.4589(13) 0.4011(10) 0.101(4) Uani 0.5 1 d D . P I 2
H25K H 0.952411 0.474789 0.430437 0.122 Uiso 0.5 1 calc R U P I 2
C26K C 0.9370(15) 0.4725(13) 0.3546(9) 0.101(4) Uani 0.5 1 d D . P I 2
H26K H 0.978530 0.501931 0.349646 0.122 Uiso 0.5 1 calc R U P I 2
C27K C 0.8897(14) 0.4396(12) 0.3156(11) 0.101(4) Uani 0.5 1 d D . P I 2
H27K H 0.902955 0.444142 0.282678 0.122 Uiso 0.5 1 calc R U P I 2
O7L O 0.4669(2) 0.0058(2) 0.45467(19) 0.0359(10) Uani 1 1 d D . . . .
H7OL H 0.501(3) -0.022(3) 0.454(2) 0.054 Uiso 1 1 d D U . . .
O8L O 0.4474(3) -0.0529(3) 0.5242(2) 0.0498(13) Uani 1 1 d . . . . .
C28L C 0.4320(4) -0.0064(3) 0.4940(2) 0.0333(13) Uani 1 1 d . . . . .
C29L C 0.3665(4) 0.0463(3) 0.4944(3) 0.0363(14) Uani 1 1 d . . . . .
H29L H 0.385209 0.092871 0.485254 0.044 Uiso 1 1 calc R U . . .
C30L C 0.3434(6) 0.0518(5) 0.5467(3) 0.059(2) Uani 1 1 d . . . . .
H30G H 0.298768 0.082857 0.544777 0.088 Uiso 1 1 calc R U . . .
H30H H 0.386743 0.070575 0.571046 0.088 Uiso 1 1 calc R U . . .
H30I H 0.329845 0.005672 0.557915 0.088 Uiso 1 1 calc R U . . .
C31L C 0.3010(4) 0.0245(3) 0.4529(2) 0.0311(12) Uani 1 1 d . . . . .
C32L C 0.2439(4) -0.0229(4) 0.4604(3) 0.0401(15) Uani 1 1 d . . . . .
H32L H 0.243792 -0.040877 0.493599 0.048 Uiso 1 1 calc R U . . .
C33L C 0.1880(4) -0.0440(4) 0.4209(3) 0.0451(17) Uani 1 1 d . . . . .
H33L H 0.149694 -0.076084 0.427283 0.054 Uiso 1 1 calc R U . . .
C34L C 0.1862(4) -0.0198(4) 0.3723(3) 0.0444(17) Uani 1 1 d . . . . .
H34L H 0.147695 -0.035472 0.345141 0.053 Uiso 1 1 calc R U . . .
C35L C 0.2414(4) 0.0280(4) 0.3633(3) 0.0419(16) Uani 1 1 d . . . . .
H35L H 0.240449 0.046072 0.329980 0.050 Uiso 1 1 calc R U . . .
C36L C 0.2984(4) 0.0494(4) 0.4035(3) 0.0379(15) Uani 1 1 d . . . . .
H36L H 0.336411 0.081778 0.397029 0.045 Uiso 1 1 calc R U . . .
O9L O 0.3137(3) 0.2399(3) 0.6439(2) 0.0517(14) Uani 1 1 d D . . . .
H9OL H 0.318(5) 0.271(4) 0.624(3) 0.078 Uiso 1 1 d D U . . .
O10L O 0.2014(4) 0.2170(3) 0.5958(3) 0.082(2) Uani 1 1 d . . . . .
C37L C 0.2500(5) 0.2033(4) 0.6318(3) 0.0440(17) Uani 1 1 d . . . . .
C38L C 0.2477(5) 0.1412(4) 0.6672(3) 0.0446(18) Uani 1 1 d . . . . .
H38L H 0.291690 0.109843 0.663157 0.053 Uiso 1 1 calc R U . . .
C39L C 0.1719(7) 0.0995(5) 0.6514(4) 0.076(3) Uani 1 1 d . . . . .
H39J H 0.168301 0.083494 0.616125 0.114 Uiso 1 1 calc R U . . .
H39K H 0.127621 0.129325 0.654104 0.114 Uiso 1 1 calc R U . . .
H39L H 0.171931 0.059282 0.673984 0.114 Uiso 1 1 calc R U . . .
C40L C 0.2577(4) 0.1621(3) 0.7229(3) 0.0329(14) Uani 1 1 d . . . . .
C41L C 0.2178(4) 0.2172(4) 0.7385(3) 0.0368(15) Uani 1 1 d . . . . .
H41L H 0.185458 0.244603 0.713882 0.044 Uiso 1 1 calc R U . . .
C42L C 0.2242(4) 0.2333(4) 0.7902(3) 0.0440(18) Uani 1 1 d . . . . .
H42L H 0.196046 0.271169 0.800706 0.053 Uiso 1 1 calc R U . . .
C43L C 0.2714(4) 0.1943(5) 0.8257(3) 0.0478(19) Uani 1 1 d . . . . .
H43L H 0.275199 0.204849 0.860914 0.057 Uiso 1 1 calc R U . . .
C44L C 0.3129(5) 0.1403(5) 0.8110(3) 0.056(2) Uani 1 1 d . . . . .
H44L H 0.346427 0.114223 0.835838 0.068 Uiso 1 1 calc R U . . .
C45L C 0.3059(5) 0.1237(5) 0.7595(3) 0.050(2) Uani 1 1 d . . . . .
H45L H 0.334308 0.085729 0.749288 0.061 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Tb1A O1A 2.332(4) . ?
Tb1A O7A 2.343(4) . ?
Tb1A O5A 2.359(4) . ?
Tb1A O4A 2.433(4) . ?
Tb1A O10A 2.436(4) . ?
Tb1A O9A 2.465(4) . ?
Tb1A N1A 2.579(4) . ?
Tb1A N2A 2.606(4) . ?
Tb1A O3A 2.614(4) . ?
Tb1A C37A 2.795(6) . ?
Tb1A C10A 2.883(5) . ?
Tb1A Tb2A 3.9629(3) . ?
Tb2A O6A 2.311(4) . ?
Tb2A O3A 2.318(3) . ?
Tb2A O2A 2.336(4) . ?
Tb2A O8A 2.364(4) . ?
Tb2A O12A 2.441(4) . ?
Tb2A O11A 2.478(4) . ?
Tb2A N4A 2.550(4) . ?
Tb2A N3A 2.575(4) . ?
Tb2A C46A 2.818(5) . ?
Tb2A O7A 2.871(4) . ?
Tb2A C28A 2.976(6) . ?
O1A C1A 1.259(7) . ?
O2A C1A 1.253(6) . ?
O3A C10A 1.262(6) . ?
O4A C10A 1.260(6) . ?
O5A C19A 1.263(6) . ?
O6A C19A 1.252(6) . ?
O7A C28A 1.260(6) . ?
O8A C28A 1.261(7) . ?
O9A C37A 1.268(7) . ?
O10A C37A 1.247(8) . ?
O11A C46A 1.270(7) . ?
O12A C46A 1.252(7) . ?
N1A C55A 1.332(7) . ?
N1A C59A 1.360(6) . ?
N2A C66A 1.318(7) . ?
N2A C60A 1.336(7) . ?
N3A C67A 1.323(8) . ?
N3A C71A 1.352(7) . ?
N4A C78A 1.329(7) . ?
N4A C72A 1.355(7) . ?
C1A C2A 1.534(8) . ?
C2A C4A 1.514(9) . ?
C2A C3A 1.543(10) . ?
C5A C6A 1.376(19) . ?
C5A C4A 1.474(18) . ?
C6A C7A 1.380(18) . ?
C7A C8A 1.35(2) . ?
C8A C9A 1.44(2) . ?
C9A C4A 1.318(17) . ?
C4A C5C 1.3900 . ?
C4A C9C 1.3900 . ?
C5C C6C 1.3900 . ?
C6C C7C 1.3900 . ?
C7C C8C 1.3900 . ?
C8C C9C 1.3900 . ?
C10A C11A 1.526(7) . ?
C11A C13A 1.512(8) . ?
C11A C12A 1.528(8) . ?
C13A C14A 1.385(8) . ?
C13A C18A 1.400(8) . ?
C14A C15A 1.394(9) . ?
C15A C16A 1.387(10) . ?
C16A C17A 1.368(10) . ?
C17A C18A 1.374(9) . ?
C19A C20A 1.528(7) . ?
C21A C20A 1.513(9) . ?
C20A C22A 1.402(13) . ?
C20A C22C 1.747(12) . ?
C22A C27A 1.409(15) . ?
C22A C23A 1.414(15) . ?
C23A C24A 1.357(14) . ?
C24A C25A 1.363(15) . ?
C25A C26A 1.393(16) . ?
C26A C27A 1.398(14) . ?
C22C C23C 1.3900 . ?
C22C C27C 1.3900 . ?
C23C C24C 1.3900 . ?
C24C C25C 1.3900 . ?
C25C C26C 1.3900 . ?
C26C C27C 1.3900 . ?
C28A C29A 1.537(7) . ?
C29A C31A 1.523(8) . ?
C29A C30A 1.540(8) . ?
C31A C36A 1.393(8) . ?
C31A C32A 1.397(9) . ?
C32A C33A 1.392(11) . ?
C33A C34A 1.369(12) . ?
C34A C35A 1.383(12) . ?
C35A C36A 1.397(10) . ?
C37A C38A 1.535(8) . ?
C38A C39A 1.532(10) . ?
C38A C40A 1.535(8) . ?
C40A C45A 1.391(9) . ?
C40A C41A 1.396(9) . ?
C41A C42A 1.379(9) . ?
C42A C43A 1.379(11) . ?
C43A C44A 1.390(11) . ?
C44A C45A 1.397(9) . ?
C46A C47A 1.531(8) . ?
C47A C48A 1.514(10) . ?
C47A C49A 1.525(8) . ?
C49A C54A 1.378(9) . ?
C49A C50A 1.396(9) . ?
C50A C51A 1.386(9) . ?
C51A C52A 1.375(11) . ?
C52A C53A 1.379(11) . ?
C53A C54A 1.390(10) . ?
C55A C56A 1.400(7) . ?
C56A C57A 1.371(8) . ?
C57A C58A 1.399(7) . ?
C58A C59A 1.414(6) . ?
C58A C61A 1.429(7) . ?
C59A C60A 1.428(8) . ?
C60A C63A 1.433(7) . ?
C61A C62A 1.343(8) . ?
C62A C63A 1.434(8) . ?
C63A C64A 1.389(8) . ?
C64A C65A 1.369(9) . ?
C65A C66A 1.413(9) . ?
C67A C68A 1.406(9) . ?
C68A C69A 1.361(10) . ?
C69A C70A 1.395(10) . ?
C70A C71A 1.412(8) . ?
C70A C73A 1.426(9) . ?
C71A C72A 1.444(8) . ?
C72A C75A 1.411(7) . ?
C73A C74A 1.343(10) . ?
C74A C75A 1.434(9) . ?
C75A C76A 1.406(9) . ?
C76A C77A 1.370(9) . ?
C77A C78A 1.405(7) . ?
Tb1B O5B 2.325(4) . ?
Tb1B O1B 2.328(4) . ?
Tb1B O7B 2.348(4) . ?
Tb1B O9B 2.432(4) . ?
Tb1B O4B 2.469(4) . ?
Tb1B O10B 2.496(4) . ?
Tb1B O3B 2.534(4) . ?
Tb1B N2B 2.590(5) . ?
Tb1B N1B 2.607(4) . ?
Tb1B C37B 2.838(6) . ?
Tb1B C10B 2.882(5) . ?
Tb1B Tb2B 3.8811(4) . ?
Tb2B O3B 2.311(3) . ?
Tb2B O2B 2.337(4) . ?
Tb2B O6B 2.363(4) . ?
Tb2B O8B 2.415(4) . ?
Tb2B O11B 2.452(4) . ?
Tb2B O12B 2.517(4) . ?
Tb2B O7B 2.545(4) . ?
Tb2B N3B 2.560(4) . ?
Tb2B N4B 2.575(4) . ?
Tb2B C28B 2.851(6) . ?
Tb2B C46B 2.856(5) . ?
O1B C1B 1.257(6) . ?
O2B C1B 1.255(6) . ?
O3B C10B 1.281(6) . ?
O4B C10B 1.249(6) . ?
O5B C19B 1.252(6) . ?
O6B C19B 1.264(6) . ?
O7B C28B 1.276(7) . ?
O8B C28B 1.253(7) . ?
O10B C37B 1.271(7) . ?
O9B C37B 1.255(7) . ?
O11B C46B 1.273(7) . ?
O12B C46B 1.257(7) . ?
N1B C55B 1.310(8) . ?
N1B C59B 1.387(7) . ?
N2B C66B 1.326(8) . ?
N2B C60B 1.360(7) . ?
N3B C67B 1.330(7) . ?
N3B C71B 1.354(7) . ?
N4B C78B 1.329(7) . ?
N4B C72B 1.356(7) . ?
C1B C2B 1.536(7) . ?
C2B C4B 1.519(8) . ?
C2B C3B 1.528(9) . ?
C4B C5B 1.379(9) . ?
C4B C9B 1.389(10) . ?
C5B C6B 1.384(12) . ?
C6B C7B 1.377(14) . ?
C7B C8B 1.372(13) . ?
C8B C9B 1.399(9) . ?
C10B C11B 1.512(7) . ?
C11B C12B 1.528(7) . ?
C11B C13B 1.537(7) . ?
C13B C14B 1.384(8) . ?
C13B C18B 1.399(7) . ?
C14B C15B 1.380(8) . ?
C15B C16B 1.390(9) . ?
C16B C17B 1.390(10) . ?
C17B C18B 1.383(8) . ?
C19B C20B 1.538(7) . ?
C20B C21B 1.523(8) . ?
C20B C22B 1.523(7) . ?
C22B C27B 1.389(8) . ?
C22B C23B 1.391(8) . ?
C23B C24B 1.412(9) . ?
C24B C25B 1.373(11) . ?
C25B C26B 1.380(12) . ?
C26B C27B 1.399(9) . ?
C28B C29B 1.513(8) . ?
C29B C30B 1.522(9) . ?
C29B C31B 1.533(9) . ?
C31B C36B 1.377(9) . ?
C31B C32B 1.391(8) . ?
C32B C33B 1.379(11) . ?
C33B C34B 1.364(12) . ?
C34B C35B 1.394(12) . ?
C35B C36B 1.389(10) . ?
C37B C38B 1.521(9) . ?
C38B C40D 1.35(2) . ?
C38B C39B 1.539(9) . ?
C38B C40B 1.649(19) . ?
C40B C41B 1.37(2) . ?
C40B C45B 1.38(2) . ?
C41B C42B 1.40(2) . ?
C42B C43B 1.365(17) . ?
C43B C44B 1.391(19) . ?
C44B C45B 1.389(19) . ?
C40D C41D 1.37(3) . ?
C40D C45D 1.41(3) . ?
C41D C42D 1.41(3) . ?
C42D C43D 1.37(2) . ?
C43D C44D 1.35(3) . ?
C44D C45D 1.40(3) . ?
C46B C47B 1.520(7) . ?
C47B C49B 1.521(8) . ?
C47B C48B 1.532(9) . ?
C49B C54B 1.385(9) . ?
C49B C50B 1.394(9) . ?
C50B C51B 1.397(9) . ?
C51B C52B 1.387(12) . ?
C52B C53B 1.384(13) . ?
C53B C54B 1.373(11) . ?
C55B C56B 1.424(9) . ?
C56B C57B 1.379(10) . ?
C57B C58B 1.391(10) . ?
C58B C59B 1.401(8) . ?
C58B C61B 1.444(9) . ?
C59B C60B 1.421(8) . ?
C60B C63B 1.417(8) . ?
C61B C62B 1.338(10) . ?
C62B C63B 1.434(9) . ?
C63B C64B 1.389(10) . ?
C64B C65B 1.370(11) . ?
C65B C66B 1.404(9) . ?
C67B C68B 1.415(8) . ?
C68B C69B 1.364(9) . ?
C69B C70B 1.398(9) . ?
C70B C71B 1.423(8) . ?
C70B C73B 1.440(9) . ?
C71B C72B 1.439(8) . ?
C72B C75B 1.417(7) . ?
C73B C74B 1.350(10) . ?
C74B C75B 1.425(8) . ?
C75B C76B 1.401(9) . ?
C76B C77B 1.368(9) . ?
C77B C78B 1.406(8) . ?
O1L C1L 1.321(9) . ?
O2L C1L 1.212(9) . ?
C1L C2L 1.531(11) . ?
C2L C3L 1.530(11) . ?
C2L C4L 1.537(13) . ?
C4L C5L 1.3900 . ?
C4L C9L 1.3900 . ?
C5L C6L 1.3900 . ?
C6L C7L 1.3900 . ?
C7L C8L 1.3900 . ?
C8L C9L 1.3900 . ?
O3L C10L 1.300(8) . ?
O4L C10L 1.172(8) . ?
C10L C11L 1.521(8) . ?
C11L C13L 1.512(9) . ?
C11L C12L 1.532(9) . ?
C13L C14L 1.382(10) . ?
C13L C18L 1.383(10) . ?
C14L C15L 1.404(12) . ?
C15L C16L 1.377(14) . ?
C16L C17L 1.356(13) . ?
C17L C18L 1.402(10) . ?
O5L C19L 1.337(13) . ?
O6L C19L 1.190(14) . ?
C19L C20L 1.548(12) . ?
C20L C21L 1.50(3) . ?
C20L C22L 1.54(3) . ?
C22L C23L 1.34(3) . ?
C22L C27L 1.37(3) . ?
C23L C24L 1.39(3) . ?
C24L C25L 1.36(3) . ?
C25L C26L 1.38(3) . ?
C26L C27L 1.70(3) . ?
O5K C19K 1.35(2) . ?
O6K C19K 1.23(3) . ?
C19K C20K 1.58(2) . ?
C20K C22K 1.37(4) . ?
C20K C21K 1.48(3) . ?
C22K C23K 1.36(2) . ?
C22K C27K 1.41(2) . ?
C23K C24K 1.39(2) . ?
C24K C25K 1.38(2) . ?
C25K C26K 1.36(2) . ?
C26K C27K 1.37(2) . ?
O7L C28L 1.323(8) . ?
O8L C28L 1.202(8) . ?
C28L C29L 1.536(9) . ?
C29L C31L 1.510(9) . ?
C29L C30L 1.519(10) . ?
C31L C36L 1.393(9) . ?
C31L C32L 1.395(9) . ?
C32L C33L 1.373(11) . ?
C33L C34L 1.370(11) . ?
C34L C35L 1.387(10) . ?
C35L C36L 1.396(10) . ?
O9L C37L 1.315(10) . ?
O10L C37L 1.198(10) . ?
C37L C38L 1.528(10) . ?
C38L C40L 1.519(10) . ?
C38L C39L 1.549(13) . ?
C40L C41L 1.375(9) . ?
C40L C45L 1.387(10) . ?
C41L C42L 1.396(10) . ?
C42L C43L 1.368(12) . ?
C43L C44L 1.364(12) . ?
C44L C45L 1.395(12) . ?

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
O1A Tb1A O7A 79.06(14) . . ?
O1A Tb1A O5A 137.18(13) . . ?
O7A Tb1A O5A 75.34(13) . . ?
O1A Tb1A O4A 82.50(15) . . ?
O7A Tb1A O4A 131.09(13) . . ?
O5A Tb1A O4A 89.10(14) . . ?
O1A Tb1A O10A 127.84(15) . . ?
O7A Tb1A O10A 85.46(14) . . ?
O5A Tb1A O10A 83.72(14) . . ?
O4A Tb1A O10A 139.37(14) . . ?
O1A Tb1A O9A 74.85(14) . . ?
O7A Tb1A O9A 78.16(13) . . ?
O5A Tb1A O9A 130.69(14) . . ?
O4A Tb1A O9A 138.55(13) . . ?
O10A Tb1A O9A 53.22(15) . . ?
O1A Tb1A N1A 78.01(14) . . ?
O7A Tb1A N1A 143.14(14) . . ?
O5A Tb1A N1A 139.04(13) . . ?
O4A Tb1A N1A 73.44(13) . . ?
O10A Tb1A N1A 86.25(14) . . ?
O9A Tb1A N1A 68.21(13) . . ?
O1A Tb1A N2A 136.38(14) . . ?
O7A Tb1A N2A 144.53(14) . . ?
O5A Tb1A N2A 75.93(13) . . ?
O4A Tb1A N2A 68.37(14) . . ?
O10A Tb1A N2A 71.10(15) . . ?
O9A Tb1A N2A 106.08(14) . . ?
N1A Tb1A N2A 63.26(14) . . ?
O1A Tb1A O3A 70.30(13) . . ?
O7A Tb1A O3A 79.86(12) . . ?
O5A Tb1A O3A 71.81(12) . . ?
O4A Tb1A O3A 51.27(12) . . ?
O10A Tb1A O3A 153.92(13) . . ?
O9A Tb1A O3A 141.59(13) . . ?
N1A Tb1A O3A 118.14(12) . . ?
N2A Tb1A O3A 110.11(13) . . ?
O1A Tb1A C37A 101.82(17) . . ?
O7A Tb1A C37A 83.33(15) . . ?
O5A Tb1A C37A 108.53(17) . . ?
O4A Tb1A C37A 145.06(15) . . ?
O10A Tb1A C37A 26.46(17) . . ?
O9A Tb1A C37A 26.97(17) . . ?
N1A Tb1A C37A 73.66(15) . . ?
N2A Tb1A C37A 86.50(17) . . ?
O3A Tb1A C37A 162.50(14) . . ?
O1A Tb1A C10A 78.07(15) . . ?
O7A Tb1A C10A 105.70(14) . . ?
O5A Tb1A C10A 76.61(14) . . ?
O4A Tb1A C10A 25.67(13) . . ?
O10A Tb1A C10A 153.81(15) . . ?
O9A Tb1A C10A 151.38(14) . . ?
N1A Tb1A C10A 97.31(14) . . ?
N2A Tb1A C10A 87.30(15) . . ?
O3A Tb1A C10A 25.96(13) . . ?
C37A Tb1A C10A 170.68(15) . . ?
O1A Tb1A Tb2A 69.23(10) . . ?
O7A Tb1A Tb2A 45.79(10) . . ?
O5A Tb1A Tb2A 68.27(9) . . ?
O4A Tb1A Tb2A 85.32(9) . . ?
O10A Tb1A Tb2A 127.55(10) . . ?
O9A Tb1A Tb2A 116.95(9) . . ?
N1A Tb1A Tb2A 142.96(10) . . ?
N2A Tb1A Tb2A 135.60(10) . . ?
O3A Tb1A Tb2A 34.07(8) . . ?
C37A Tb1A Tb2A 128.92(12) . . ?
C10A Tb1A Tb2A 59.96(10) . . ?
O6A Tb2A O3A 76.04(14) . . ?
O6A Tb2A O2A 134.87(13) . . ?
O3A Tb2A O2A 73.37(13) . . ?
O6A Tb2A O8A 77.87(15) . . ?
O3A Tb2A O8A 123.16(13) . . ?
O2A Tb2A O8A 92.01(14) . . ?
O6A Tb2A O12A 131.35(14) . . ?
O3A Tb2A O12A 92.38(14) . . ?
O2A Tb2A O12A 82.51(14) . . ?
O8A Tb2A O12A 140.90(14) . . ?
O6A Tb2A O11A 78.50(14) . . ?
O3A Tb2A O11A 78.34(13) . . ?
O2A Tb2A O11A 125.37(13) . . ?
O8A Tb2A O11A 142.20(14) . . ?
O12A Tb2A O11A 52.85(13) . . ?
O6A Tb2A N4A 80.90(15) . . ?
O3A Tb2A N4A 144.15(15) . . ?
O2A Tb2A N4A 139.98(14) . . ?
O8A Tb2A N4A 77.08(14) . . ?
O12A Tb2A N4A 82.59(14) . . ?
O11A Tb2A N4A 70.36(14) . . ?
O6A Tb2A N3A 135.37(15) . . ?
O3A Tb2A N3A 147.49(14) . . ?
O2A Tb2A N3A 76.08(14) . . ?
O8A Tb2A N3A 68.40(14) . . ?
O12A Tb2A N3A 72.72(14) . . ?
O11A Tb2A N3A 111.60(14) . . ?
N4A Tb2A N3A 64.06(15) . . ?
O6A Tb2A C46A 105.15(16) . . ?
O3A Tb2A C46A 87.41(14) . . ?
O2A Tb2A C46A 105.76(15) . . ?
O8A Tb2A C46A 148.39(14) . . ?
O12A Tb2A C46A 26.30(15) . . ?
O11A Tb2A C46A 26.79(15) . . ?
N4A Tb2A C46A 72.50(15) . . ?
N3A Tb2A C46A 90.38(15) . . ?
O6A Tb2A O7A 69.80(13) . . ?
O3A Tb2A O7A 74.97(12) . . ?
O2A Tb2A O7A 70.73(12) . . ?
O8A Tb2A O7A 48.69(12) . . ?
O12A Tb2A O7A 152.65(13) . . ?
O11A Tb2A O7A 142.45(12) . . ?
N4A Tb2A O7A 121.75(12) . . ?
N3A Tb2A O7A 105.08(13) . . ?
C46A Tb2A O7A 162.34(13) . . ?
O6A Tb2A C28A 74.11(15) . . ?
O3A Tb2A C28A 99.73(14) . . ?
O2A Tb2A C28A 79.25(14) . . ?
O8A Tb2A C28A 24.01(14) . . ?
O12A Tb2A C28A 154.13(14) . . ?
O11A Tb2A C28A 152.12(14) . . ?
N4A Tb2A C28A 99.88(15) . . ?
N3A Tb2A C28A 85.13(15) . . ?
C46A Tb2A C28A 172.30(15) . . ?
O7A Tb2A C28A 24.81(13) . . ?
O6A Tb2A Tb1A 68.23(10) . . ?
O3A Tb2A Tb1A 39.17(9) . . ?
O2A Tb2A Tb1A 67.04(9) . . ?
O8A Tb2A Tb1A 84.24(9) . . ?
O12A Tb2A Tb1A 127.28(10) . . ?
O11A Tb2A Tb1A 113.37(9) . . ?
N4A Tb2A Tb1A 146.68(11) . . ?
N3A Tb2A Tb1A 132.87(11) . . ?
C46A Tb2A Tb1A 126.58(11) . . ?
O7A Tb2A Tb1A 35.80(7) . . ?
C28A Tb2A Tb1A 60.58(11) . . ?
C1A O1A Tb1A 135.7(4) . . ?
C1A O2A Tb2A 137.3(4) . . ?
C10A O3A Tb2A 163.4(4) . . ?
C10A O3A Tb1A 89.0(3) . . ?
Tb2A O3A Tb1A 106.76(14) . . ?
C10A O4A Tb1A 97.5(3) . . ?
C19A O5A Tb1A 135.7(3) . . ?
C19A O6A Tb2A 139.4(4) . . ?
C28A O7A Tb1A 176.2(4) . . ?
C28A O7A Tb2A 82.2(3) . . ?
Tb1A O7A Tb2A 98.41(13) . . ?
C28A O8A Tb2A 106.3(3) . . ?
C37A O9A Tb1A 91.2(4) . . ?
C37A O10A Tb1A 93.0(3) . . ?
C46A O11A Tb2A 91.7(3) . . ?
C46A O12A Tb2A 93.9(3) . . ?
C55A N1A C59A 117.9(4) . . ?
C55A N1A Tb1A 121.8(3) . . ?
C59A N1A Tb1A 120.3(3) . . ?
C66A N2A C60A 118.5(5) . . ?
C66A N2A Tb1A 122.3(4) . . ?
C60A N2A Tb1A 119.1(4) . . ?
C67A N3A C71A 117.5(5) . . ?
C67A N3A Tb2A 122.9(4) . . ?
C71A N3A Tb2A 119.5(4) . . ?
C78A N4A C72A 118.6(5) . . ?
C78A N4A Tb2A 121.1(4) . . ?
C72A N4A Tb2A 120.2(4) . . ?
O2A C1A O1A 126.0(5) . . ?
O2A C1A C2A 117.9(5) . . ?
O1A C1A C2A 116.0(5) . . ?
C4A C2A C1A 113.6(5) . . ?
C4A C2A C3A 115.4(6) . . ?
C1A C2A C3A 106.8(5) . . ?
C6A C5A C4A 117.0(12) . . ?
C5A C6A C7A 120.6(15) . . ?
C8A C7A C6A 123.5(15) . . ?
C7A C8A C9A 116.5(14) . . ?
C4A C9A C8A 122.6(16) . . ?
C5C C4A C9C 120.0 . . ?
C9A C4A C5A 119.7(11) . . ?
C9A C4A C2A 131.1(12) . . ?
C5C C4A C2A 122.1(6) . . ?
C9C C4A C2A 117.8(6) . . ?
C5A C4A C2A 109.2(8) . . ?
C4A C5C C6C 120.0 . . ?
C7C C6C C5C 120.0 . . ?
C6C C7C C8C 120.0 . . ?
C9C C8C C7C 120.0 . . ?
C8C C9C C4A 120.0 . . ?
O4A C10A O3A 120.5(5) . . ?
O4A C10A C11A 119.6(5) . . ?
O3A C10A C11A 119.9(5) . . ?
O4A C10A Tb1A 56.8(3) . . ?
O3A C10A Tb1A 65.0(3) . . ?
C11A C10A Tb1A 167.5(4) . . ?
C13A C11A C10A 109.8(4) . . ?
C13A C11A C12A 115.7(5) . . ?
C10A C11A C12A 108.0(5) . . ?
C14A C13A C18A 117.3(6) . . ?
C14A C13A C11A 123.0(5) . . ?
C18A C13A C11A 119.8(5) . . ?
C13A C14A C15A 120.8(6) . . ?
C16A C15A C14A 120.4(6) . . ?
C17A C16A C15A 119.1(6) . . ?
C16A C17A C18A 120.5(6) . . ?
C17A C18A C13A 121.8(6) . . ?
O6A C19A O5A 126.0(5) . . ?
O6A C19A C20A 115.9(5) . . ?
O5A C19A C20A 118.1(5) . . ?
C22A C20A C21A 113.9(7) . . ?
C22A C20A C19A 112.1(7) . . ?
C21A C20A C19A 114.6(5) . . ?
C21A C20A C22C 107.2(7) . . ?
C19A C20A C22C 101.4(6) . . ?
C20A C22A C27A 121.0(10) . . ?
C20A C22A C23A 122.0(9) . . ?
C27A C22A C23A 117.1(10) . . ?
C24A C23A C22A 120.4(10) . . ?
C23A C24A C25A 123.0(10) . . ?
C24A C25A C26A 118.7(10) . . ?
C25A C26A C27A 119.8(10) . . ?
C26A C27A C22A 121.0(10) . . ?
C23C C22C C27C 120.0 . . ?
C23C C22C C20A 120.1(9) . . ?
C27C C22C C20A 119.9(9) . . ?
C22C C23C C24C 120.0 . . ?
C25C C24C C23C 120.0 . . ?
C24C C25C C26C 120.0 . . ?
C27C C26C C25C 120.0 . . ?
C26C C27C C22C 120.0 . . ?
O7A C28A O8A 122.2(5) . . ?
O7A C28A C29A 122.0(5) . . ?
O8A C28A C29A 115.8(5) . . ?
O7A C28A Tb2A 73.0(3) . . ?
O8A C28A Tb2A 49.7(3) . . ?
C29A C28A Tb2A 162.8(4) . . ?
C31A C29A C28A 107.5(4) . . ?
C31A C29A C30A 111.1(5) . . ?
C28A C29A C30A 114.3(4) . . ?
C36A C31A C32A 119.7(6) . . ?
C36A C31A C29A 120.1(5) . . ?
C32A C31A C29A 120.2(5) . . ?
C33A C32A C31A 119.5(7) . . ?
C34A C33A C32A 120.7(7) . . ?
C33A C34A C35A 120.2(7) . . ?
C34A C35A C36A 120.1(7) . . ?
C31A C36A C35A 119.7(7) . . ?
O10A C37A O9A 121.6(5) . . ?
O10A C37A C38A 120.3(5) . . ?
O9A C37A C38A 118.0(6) . . ?
O10A C37A Tb1A 60.5(3) . . ?
O9A C37A Tb1A 61.9(3) . . ?
C38A C37A Tb1A 167.1(4) . . ?
C39A C38A C40A 112.9(5) . . ?
C39A C38A C37A 111.6(6) . . ?
C40A C38A C37A 106.5(5) . . ?
C45A C40A C41A 118.8(6) . . ?
C45A C40A C38A 121.3(6) . . ?
C41A C40A C38A 119.8(6) . . ?
C42A C41A C40A 121.1(6) . . ?
C41A C42A C43A 119.9(7) . . ?
C42A C43A C44A 120.0(6) . . ?
C43A C44A C45A 120.1(7) . . ?
C40A C45A C44A 119.9(6) . . ?
O12A C46A O11A 120.5(5) . . ?
O12A C46A C47A 120.7(5) . . ?
O11A C46A C47A 118.8(5) . . ?
O12A C46A Tb2A 59.8(3) . . ?
O11A C46A Tb2A 61.5(3) . . ?
C47A C46A Tb2A 168.9(4) . . ?
C48A C47A C49A 113.4(6) . . ?
C48A C47A C46A 110.8(5) . . ?
C49A C47A C46A 109.6(5) . . ?
C54A C49A C50A 118.3(6) . . ?
C54A C49A C47A 122.5(6) . . ?
C50A C49A C47A 119.2(6) . . ?
C51A C50A C49A 120.8(6) . . ?
C52A C51A C50A 120.1(7) . . ?
C51A C52A C53A 119.8(6) . . ?
C52A C53A C54A 120.0(7) . . ?
C49A C54A C53A 121.0(6) . . ?
N1A C55A C56A 123.2(5) . . ?
C57A C56A C55A 119.0(5) . . ?
C56A C57A C58A 119.6(5) . . ?
C57A C58A C59A 117.8(5) . . ?
C57A C58A C61A 122.4(5) . . ?
C59A C58A C61A 119.8(5) . . ?
N1A C59A C58A 122.4(5) . . ?
N1A C59A C60A 117.5(4) . . ?
C58A C59A C60A 120.1(5) . . ?
N2A C60A C59A 119.8(5) . . ?
N2A C60A C63A 121.8(5) . . ?
C59A C60A C63A 118.4(5) . . ?
C62A C61A C58A 120.9(5) . . ?
C61A C62A C63A 121.1(5) . . ?
C64A C63A C60A 118.4(5) . . ?
C64A C63A C62A 121.8(5) . . ?
C60A C63A C62A 119.7(5) . . ?
C65A C64A C63A 118.9(6) . . ?
C64A C65A C66A 118.8(6) . . ?
N2A C66A C65A 123.4(6) . . ?
N3A C67A C68A 124.0(6) . . ?
C69A C68A C67A 118.4(6) . . ?
C68A C69A C70A 119.7(6) . . ?
C69A C70A C71A 118.0(6) . . ?
C69A C70A C73A 122.4(6) . . ?
C71A C70A C73A 119.5(6) . . ?
N3A C71A C70A 122.5(5) . . ?
N3A C71A C72A 118.0(5) . . ?
C70A C71A C72A 119.5(5) . . ?
N4A C72A C75A 123.0(5) . . ?
N4A C72A C71A 118.1(5) . . ?
C75A C72A C71A 118.9(5) . . ?
C74A C73A C70A 121.4(6) . . ?
C73A C74A C75A 120.8(6) . . ?
C76A C75A C72A 116.9(5) . . ?
C76A C75A C74A 123.2(5) . . ?
C72A C75A C74A 119.9(6) . . ?
C77A C76A C75A 119.9(5) . . ?
C76A C77A C78A 119.4(6) . . ?
N4A C78A C77A 122.2(5) . . ?
O5B Tb1B O1B 138.47(13) . . ?
O5B Tb1B O7B 77.20(14) . . ?
O1B Tb1B O7B 75.70(13) . . ?
O5B Tb1B O9B 129.72(14) . . ?
O1B Tb1B O9B 78.50(14) . . ?
O7B Tb1B O9B 85.44(14) . . ?
O5B Tb1B O4B 82.49(14) . . ?
O1B Tb1B O4B 88.61(13) . . ?
O7B Tb1B O4B 125.98(13) . . ?
O9B Tb1B O4B 142.01(13) . . ?
O5B Tb1B O10B 77.38(14) . . ?
O1B Tb1B O10B 124.74(14) . . ?
O7B Tb1B O10B 76.31(14) . . ?
O9B Tb1B O10B 52.62(14) . . ?
O4B Tb1B O10B 145.49(14) . . ?
O5B Tb1B O3B 70.14(13) . . ?
O1B Tb1B O3B 72.53(13) . . ?
O7B Tb1B O3B 74.15(12) . . ?
O9B Tb1B O3B 147.79(13) . . ?
O4B Tb1B O3B 51.86(11) . . ?
O10B Tb1B O3B 139.91(12) . . ?
O5B Tb1B N2B 77.53(15) . . ?
O1B Tb1B N2B 140.39(15) . . ?
O7B Tb1B N2B 140.63(15) . . ?
O9B Tb1B N2B 88.01(15) . . ?
O4B Tb1B N2B 79.48(15) . . ?
O10B Tb1B N2B 69.03(16) . . ?
O3B Tb1B N2B 123.48(14) . . ?
O5B Tb1B N1B 135.19(14) . . ?
O1B Tb1B N1B 77.28(14) . . ?
O7B Tb1B N1B 147.56(14) . . ?
O9B Tb1B N1B 71.82(14) . . ?
O4B Tb1B N1B 70.52(13) . . ?
O10B Tb1B N1B 105.50(14) . . ?
O3B Tb1B N1B 114.01(13) . . ?
N2B Tb1B N1B 63.12(15) . . ?
O5B Tb1B C37B 103.97(16) . . ?
O1B Tb1B C37B 102.49(16) . . ?
O7B Tb1B C37B 81.54(16) . . ?
O9B Tb1B C37B 26.12(15) . . ?
O4B Tb1B C37B 152.36(15) . . ?
O10B Tb1B C37B 26.60(15) . . ?
O3B Tb1B C37B 155.68(15) . . ?
N2B Tb1B C37B 75.88(18) . . ?
N1B Tb1B C37B 87.13(15) . . ?
O5B Tb1B C10B 74.20(15) . . ?
O1B Tb1B C10B 80.47(14) . . ?
O7B Tb1B C10B 100.46(14) . . ?
O9B Tb1B C10B 156.00(14) . . ?
O4B Tb1B C10B 25.52(12) . . ?
O10B Tb1B C10B 151.37(14) . . ?
O3B Tb1B C10B 26.36(12) . . ?
N2B Tb1B C10B 101.09(15) . . ?
N1B Tb1B C10B 92.39(14) . . ?
C37B Tb1B C10B 176.81(17) . . ?
O5B Tb1B Tb2B 69.71(9) . . ?
O1B Tb1B Tb2B 69.34(9) . . ?
O7B Tb1B Tb2B 39.31(10) . . ?
O9B Tb1B Tb2B 120.41(11) . . ?
O4B Tb1B Tb2B 86.71(8) . . ?
O10B Tb1B Tb2B 111.55(9) . . ?
O3B Tb1B Tb2B 34.85(8) . . ?
N2B Tb1B Tb2B 145.82(11) . . ?
N1B Tb1B Tb2B 139.87(10) . . ?
C37B Tb1B Tb2B 120.85(12) . . ?
C10B Tb1B Tb2B 61.19(10) . . ?
O3B Tb2B O2B 77.25(13) . . ?
O3B Tb2B O6B 72.45(13) . . ?
O2B Tb2B O6B 137.95(13) . . ?
O3B Tb2B O8B 126.17(13) . . ?
O2B Tb2B O8B 77.93(15) . . ?
O6B Tb2B O8B 97.13(15) . . ?
O3B Tb2B O11B 95.73(13) . . ?
O2B Tb2B O11B 124.18(14) . . ?
O6B Tb2B O11B 87.69(14) . . ?
O8B Tb2B O11B 137.39(13) . . ?
O3B Tb2B O12B 76.11(13) . . ?
O2B Tb2B O12B 72.89(13) . . ?
O6B Tb2B O12B 125.03(14) . . ?
O8B Tb2B O12B 137.69(14) . . ?
O11B Tb2B O12B 52.02(13) . . ?
O3B Tb2B O7B 74.55(12) . . ?
O2B Tb2B O7B 70.58(13) . . ?
O6B Tb2B O7B 73.68(13) . . ?
O8B Tb2B O7B 52.25(12) . . ?
O11B Tb2B O7B 160.80(13) . . ?
O12B Tb2B O7B 137.08(12) . . ?
O3B Tb2B N3B 144.28(14) . . ?
O2B Tb2B N3B 81.51(14) . . ?
O6B Tb2B N3B 138.38(14) . . ?
O8B Tb2B N3B 75.67(14) . . ?
O11B Tb2B N3B 73.09(14) . . ?
O12B Tb2B N3B 70.32(13) . . ?
O7B Tb2B N3B 124.27(13) . . ?
O3B Tb2B N4B 145.39(13) . . ?
O2B Tb2B N4B 136.75(14) . . ?
O6B Tb2B N4B 74.95(13) . . ?
O8B Tb2B N4B 69.08(14) . . ?
O11B Tb2B N4B 71.51(14) . . ?
O12B Tb2B N4B 114.94(13) . . ?
O7B Tb2B N4B 107.01(13) . . ?
N3B Tb2B N4B 64.09(15) . . ?
O3B Tb2B C28B 101.09(15) . . ?
O2B Tb2B C28B 74.80(15) . . ?
O6B Tb2B C28B 83.10(15) . . ?
O8B Tb2B C28B 25.86(14) . . ?
O11B Tb2B C28B 157.36(15) . . ?
O12B Tb2B C28B 147.37(14) . . ?
O7B Tb2B C28B 26.59(14) . . ?
N3B Tb2B C28B 100.60(15) . . ?
N4B Tb2B C28B 86.11(15) . . ?
O3B Tb2B C46B 88.66(14) . . ?
O2B Tb2B C46B 97.85(15) . . ?
O6B Tb2B C46B 109.72(15) . . ?
O8B Tb2B C46B 141.71(14) . . ?
O11B Tb2B C46B 26.37(15) . . ?
O12B Tb2B C46B 26.08(14) . . ?
O7B Tb2B C46B 161.20(13) . . ?
N3B Tb2B C46B 66.10(14) . . ?
N4B Tb2B C46B 91.59(15) . . ?
C28B Tb2B C46B 165.94(16) . . ?
O3B Tb2B Tb1B 38.79(9) . . ?
O2B Tb2B Tb1B 69.00(10) . . ?
O6B Tb2B Tb1B 69.09(9) . . ?
O8B Tb2B Tb1B 87.64(9) . . ?
O11B Tb2B Tb1B 132.60(10) . . ?
O12B Tb2B Tb1B 109.01(8) . . ?
O7B Tb2B Tb1B 35.77(8) . . ?
N3B Tb2B Tb1B 148.65(10) . . ?
N4B Tb2B Tb1B 133.98(10) . . ?
C28B Tb2B Tb1B 62.30(11) . . ?
C46B Tb2B Tb1B 126.85(10) . . ?
C1B O1B Tb1B 134.5(3) . . ?
C1B O2B Tb2B 136.8(4) . . ?
C10B O3B Tb2B 161.3(3) . . ?
C10B O3B Tb1B 92.2(3) . . ?
Tb2B O3B Tb1B 106.36(14) . . ?
C10B O4B Tb1B 96.1(3) . . ?
C19B O5B Tb1B 136.9(4) . . ?
C19B O6B Tb2B 134.7(3) . . ?
C28B O7B Tb1B 164.2(4) . . ?
C28B O7B Tb2B 90.2(3) . . ?
Tb1B O7B Tb2B 104.92(14) . . ?
C28B O8B Tb2B 96.9(3) . . ?
C37B O10B Tb1B 91.9(3) . . ?
C37B O9B Tb1B 95.3(4) . . ?
C46B O11B Tb2B 94.8(3) . . ?
C46B O12B Tb2B 92.2(3) . . ?
C55B N1B C59B 118.4(5) . . ?
C55B N1B Tb1B 122.3(4) . . ?
C59B N1B Tb1B 119.3(4) . . ?
C66B N2B C60B 117.8(5) . . ?
C66B N2B Tb1B 121.1(4) . . ?
C60B N2B Tb1B 121.1(4) . . ?
C67B N3B C71B 118.9(5) . . ?
C67B N3B Tb2B 121.6(4) . . ?
C71B N3B Tb2B 119.5(4) . . ?
C78B N4B C72B 117.6(5) . . ?
C78B N4B Tb2B 123.1(4) . . ?
C72B N4B Tb2B 119.3(3) . . ?
O2B C1B O1B 126.0(5) . . ?
O2B C1B C2B 115.7(5) . . ?
O1B C1B C2B 118.1(5) . . ?
C4B C2B C3B 112.8(5) . . ?
C4B C2B C1B 115.3(5) . . ?
C3B C2B C1B 107.0(5) . . ?
C5B C4B C9B 118.1(7) . . ?
C5B C4B C2B 119.9(6) . . ?
C9B C4B C2B 121.9(6) . . ?
C4B C5B C6B 122.3(8) . . ?
C7B C6B C5B 119.2(8) . . ?
C8B C7B C6B 119.7(7) . . ?
C7B C8B C9B 120.9(8) . . ?
C4B C9B C8B 119.8(7) . . ?
O4B C10B O3B 119.8(5) . . ?
O4B C10B C11B 122.0(5) . . ?
O3B C10B C11B 118.1(4) . . ?
O4B C10B Tb1B 58.4(3) . . ?
O3B C10B Tb1B 61.5(3) . . ?
C11B C10B Tb1B 174.9(4) . . ?
C10B C11B C12B 112.3(5) . . ?
C10B C11B C13B 108.8(4) . . ?
C12B C11B C13B 112.0(4) . . ?
C14B C13B C18B 118.8(5) . . ?
C14B C13B C11B 121.3(5) . . ?
C18B C13B C11B 119.9(5) . . ?
C15B C14B C13B 121.6(5) . . ?
C14B C15B C16B 119.4(6) . . ?
C17B C16B C15B 119.7(6) . . ?
C18B C17B C16B 120.5(6) . . ?
C17B C18B C13B 120.0(6) . . ?
O5B C19B O6B 125.4(5) . . ?
O5B C19B C20B 117.8(5) . . ?
O6B C19B C20B 116.8(5) . . ?
C21B C20B C22B 111.3(4) . . ?
C21B C20B C19B 113.2(4) . . ?
C22B C20B C19B 113.0(4) . . ?
C27B C22B C23B 118.0(6) . . ?
C27B C22B C20B 120.4(5) . . ?
C23B C22B C20B 121.5(5) . . ?
C22B C23B C24B 121.4(7) . . ?
C25B C24B C23B 119.5(7) . . ?
C24B C25B C26B 119.8(6) . . ?
C25B C26B C27B 120.8(7) . . ?
C22B C27B C26B 120.5(7) . . ?
O8B C28B O7B 119.7(5) . . ?
O8B C28B C29B 119.5(5) . . ?
O7B C28B C29B 120.6(5) . . ?
O8B C28B Tb2B 57.2(3) . . ?
O7B C28B Tb2B 63.2(3) . . ?
C29B C28B Tb2B 168.0(4) . . ?
C28B C29B C30B 109.6(5) . . ?
C28B C29B C31B 106.2(5) . . ?
C30B C29B C31B 114.7(5) . . ?
C36B C31B C32B 118.6(6) . . ?
C36B C31B C29B 118.9(5) . . ?
C32B C31B C29B 122.4(6) . . ?
C33B C32B C31B 121.1(7) . . ?
C34B C33B C32B 120.2(7) . . ?
C33B C34B C35B 119.6(7) . . ?
C36B C35B C34B 120.1(8) . . ?
C31B C36B C35B 120.3(7) . . ?
O9B C37B O10B 119.7(6) . . ?
O9B C37B C38B 120.8(6) . . ?
O10B C37B C38B 119.5(5) . . ?
O9B C37B Tb1B 58.6(3) . . ?
O10B C37B Tb1B 61.5(3) . . ?
C38B C37B Tb1B 173.4(5) . . ?
C40D C38B C37B 110.8(11) . . ?
C40D C38B C39B 118.2(12) . . ?
C37B C38B C39B 109.6(5) . . ?
C37B C38B C40B 108.4(8) . . ?
C39B C38B C40B 111.9(9) . . ?
C41B C40B C45B 118.5(14) . . ?
C41B C40B C38B 122.0(14) . . ?
C45B C40B C38B 119.5(12) . . ?
C40B C41B C42B 120.9(13) . . ?
C43B C42B C41B 120.5(13) . . ?
C42B C43B C44B 118.8(13) . . ?
C45B C44B C43B 120.4(12) . . ?
C40B C45B C44B 120.9(13) . . ?
C38B C40D C41D 119(2) . . ?
C38B C40D C45D 123(2) . . ?
C41D C40D C45D 117.5(19) . . ?
C40D C41D C42D 121.4(18) . . ?
C43D C42D C41D 120(2) . . ?
C44D C43D C42D 118.3(19) . . ?
C43D C44D C45D 122.9(17) . . ?
C44D C45D C40D 120(2) . . ?
O12B C46B O11B 119.0(5) . . ?
O12B C46B C47B 121.7(5) . . ?
O11B C46B C47B 119.2(5) . . ?
O12B C46B Tb2B 61.7(3) . . ?
O11B C46B Tb2B 58.8(3) . . ?
C47B C46B Tb2B 166.0(4) . . ?
C46B C47B C49B 108.5(4) . . ?
C46B C47B C48B 111.3(5) . . ?
C49B C47B C48B 113.4(5) . . ?
C54B C49B C50B 119.5(6) . . ?
C54B C49B C47B 119.8(6) . . ?
C50B C49B C47B 120.7(5) . . ?
C49B C50B C51B 119.1(7) . . ?
C52B C51B C50B 120.8(8) . . ?
C53B C52B C51B 119.5(7) . . ?
C54B C53B C52B 120.1(7) . . ?
C53B C54B C49B 121.2(7) . . ?
N1B C55B C56B 124.0(6) . . ?
C57B C56B C55B 117.0(6) . . ?
C56B C57B C58B 120.8(6) . . ?
C57B C58B C59B 118.5(6) . . ?
C57B C58B C61B 122.7(6) . . ?
C59B C58B C61B 118.7(6) . . ?
N1B C59B C58B 121.3(6) . . ?
N1B C59B C60B 118.4(5) . . ?
C58B C59B C60B 120.3(5) . . ?
N2B C60B C63B 122.2(6) . . ?
N2B C60B C59B 118.1(5) . . ?
C63B C60B C59B 119.7(5) . . ?
C62B C61B C58B 121.1(6) . . ?
C61B C62B C63B 121.3(6) . . ?
C64B C63B C60B 118.1(6) . . ?
C64B C63B C62B 123.2(6) . . ?
C60B C63B C62B 118.7(6) . . ?
C65B C64B C63B 119.6(6) . . ?
C64B C65B C66B 118.8(7) . . ?
N2B C66B C65B 123.4(7) . . ?
N3B C67B C68B 122.7(6) . . ?
C69B C68B C67B 118.8(6) . . ?
C68B C69B C70B 119.8(5) . . ?
C69B C70B C71B 118.2(5) . . ?
C69B C70B C73B 122.8(6) . . ?
C71B C70B C73B 119.0(6) . . ?
N3B C71B C70B 121.6(5) . . ?
N3B C71B C72B 118.7(5) . . ?
C70B C71B C72B 119.6(5) . . ?
N4B C72B C75B 123.2(5) . . ?
N4B C72B C71B 117.9(5) . . ?
C75B C72B C71B 118.9(5) . . ?
C74B C73B C70B 121.3(6) . . ?
C73B C74B C75B 120.8(5) . . ?
C76B C75B C72B 116.9(5) . . ?
C76B C75B C74B 122.6(5) . . ?
C72B C75B C74B 120.4(6) . . ?
C77B C76B C75B 120.3(5) . . ?
C76B C77B C78B 118.5(6) . . ?
N4B C78B C77B 123.5(5) . . ?
O2L C1L O1L 124.2(7) . . ?
O2L C1L C2L 122.9(7) . . ?
O1L C1L C2L 112.9(6) . . ?
C3L C2L C1L 110.3(7) . . ?
C3L C2L C4L 110.5(8) . . ?
C1L C2L C4L 110.3(8) . . ?
C5L C4L C9L 120.0 . . ?
C5L C4L C2L 122.6(7) . . ?
C9L C4L C2L 117.4(7) . . ?
C6L C5L C4L 120.0 . . ?
C5L C6L C7L 120.0 . . ?
C8L C7L C6L 120.0 . . ?
C7L C8L C9L 120.0 . . ?
C8L C9L C4L 120.0 . . ?
O4L C10L O3L 122.9(6) . . ?
O4L C10L C11L 125.3(6) . . ?
O3L C10L C11L 111.9(5) . . ?
C13L C11L C10L 111.3(5) . . ?
C13L C11L C12L 112.9(5) . . ?
C10L C11L C12L 110.7(6) . . ?
C14L C13L C18L 119.9(7) . . ?
C14L C13L C11L 120.0(7) . . ?
C18L C13L C11L 120.1(6) . . ?
C13L C14L C15L 119.1(8) . . ?
C16L C15L C14L 120.9(8) . . ?
C17L C16L C15L 119.4(8) . . ?
C16L C17L C18L 121.0(9) . . ?
C13L C18L C17L 119.6(8) . . ?
O6L C19L O5L 123.7(10) . . ?
O6L C19L C20L 125.1(13) . . ?
O5L C19L C20L 111.2(12) . . ?
C21L C20L C22L 118.8(18) . . ?
C21L C20L C19L 109.2(16) . . ?
C22L C20L C19L 105.4(16) . . ?
C23L C22L C27L 123(2) . . ?
C23L C22L C20L 125(2) . . ?
C27L C22L C20L 111.2(19) . . ?
C22L C23L C24L 122(2) . . ?
C25L C24L C23L 121.3(19) . . ?
C24L C25L C26L 122(2) . . ?
C25L C26L C27L 112(2) . . ?
C22L C27L C26L 110.4(19) . . ?
O6K C19K O5K 127.2(16) . . ?
O6K C19K C20K 120.2(18) . . ?
O5K C19K C20K 112.5(18) . . ?
C22K C20K C21K 139(2) . . ?
C22K C20K C19K 106.5(19) . . ?
C21K C20K C19K 101.0(15) . . ?
C23K C22K C20K 131(3) . . ?
C23K C22K C27K 116(3) . . ?
C20K C22K C27K 114(3) . . ?
C22K C23K C24K 120(3) . . ?
C25K C24K C23K 120(3) . . ?
C26K C25K C24K 124(3) . . ?
C25K C26K C27K 113(3) . . ?
C26K C27K C22K 127(3) . . ?
O8L C28L O7L 125.5(6) . . ?
O8L C28L C29L 124.7(6) . . ?
O7L C28L C29L 109.8(5) . . ?
C31L C29L C30L 113.6(6) . . ?
C31L C29L C28L 106.8(5) . . ?
C30L C29L C28L 111.8(6) . . ?
C36L C31L C32L 116.9(6) . . ?
C36L C31L C29L 119.5(6) . . ?
C32L C31L C29L 123.5(6) . . ?
C33L C32L C31L 121.4(7) . . ?
C34L C33L C32L 121.3(7) . . ?
C33L C34L C35L 119.1(7) . . ?
C34L C35L C36L 119.6(7) . . ?
C31L C36L C35L 121.7(6) . . ?
O10L C37L O9L 122.5(7) . . ?
O10L C37L C38L 125.1(8) . . ?
O9L C37L C38L 112.3(7) . . ?
C40L C38L C37L 112.6(6) . . ?
C40L C38L C39L 110.6(7) . . ?
C37L C38L C39L 110.5(7) . . ?
C41L C40L C45L 118.7(7) . . ?
C41L C40L C38L 121.4(7) . . ?
C45L C40L C38L 119.9(6) . . ?
C40L C41L C42L 120.6(7) . . ?
C43L C42L C41L 119.7(7) . . ?
C44L C43L C42L 120.6(8) . . ?
C43L C44L C45L 119.8(8) . . ?
C40L C45L C44L 120.5(8) . . ?

_refine_diff_density_max         2.556
_refine_diff_density_min         -1.745
_refine_diff_density_rms         0.119


_exptl_crystal_preparation       ', Magnetic properties,Luminescent'
