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

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
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#  except for the purpose of generating routine backup copies
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#  data retrieval see:
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#  from this site to visualise CIF-encoded structures and 
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data_complex-2
#TrackingRef 'Complex-2.CIF'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C254 H317 Cd18 Cl8 Eu6 N18 O92'
_chemical_formula_sum            'C254 H317 Cd18 Cl8 Eu6 N18 O92'
_chemical_formula_weight         8312.82

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd -0.8075 1.2024 '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'

_symmetry_cell_setting           Hexagonal
_symmetry_space_group_name_H-M   P-3
_symmetry_space_group_name_Hall  -P3

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'

_cell_length_a                   51.305(7)
_cell_length_b                   51.305(7)
_cell_length_c                   24.419(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     55662(16)
_cell_formula_units_Z            6
_cell_measurement_temperature    223(2)
_cell_measurement_reflns_used    44268
_cell_measurement_theta_min      2.35
_cell_measurement_theta_max      27.63

_exptl_crystal_description       Block
_exptl_crystal_colour            Yellow
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.488
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             24486
_exptl_absorpt_coefficient_mu    2.129
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.5140
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   
'DENZO and Scalepack (Otwinoski and Minor, 1997)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      223(1)
_diffrn_radiation_wavelength     0.710747
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Sealed tube'
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_measurement_device_type  'Mercury2 (2x2 bin mode)'
_diffrn_measurement_method       dtprofit.ref
_diffrn_detector_area_resol_mean 13.6612
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            449154
_diffrn_reflns_av_R_equivalents  0.0898
_diffrn_reflns_av_sigmaI/netI    0.0732
_diffrn_reflns_limit_h_min       -60
_diffrn_reflns_limit_h_max       55
_diffrn_reflns_limit_k_min       -58
_diffrn_reflns_limit_k_max       60
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         3.00
_diffrn_reflns_theta_max         25.00
_reflns_number_total             63227
_reflns_number_gt                40541
_reflns_threshold_expression     >2sigma(I)
_computing_data_collection       'Collect software, Nonius B.V. 1998'
_computing_cell_refinement       'Collect software, Nonius B.V. 1998'
_computing_data_reduction        
;
DENZO and Scalepack (Otwinoski and Minor, 1997)
;
_computing_structure_solution    
;

SIR97 - Altomare A., Burla M.C., Camalli M., Cascarano G.L., Giacovazzo C.,
Guagliardi A., Moliterni A.G.G., Polidori G.,Spagna R.
;
_computing_structure_refinement  'XL SHELXTL/PC, Siemens Analytical'
_computing_molecular_graphics    'XP SHELXTL/PC, Siemens Analytical'
_computing_publication_material  ?



_refine_special_details          
;
Refinement of F² against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F², conventional R-factors R are based
on F, with F set to zero for negative F². The threshold expression of
F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F² are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.

Some uncoordinated solvent molecules such as MeOH, EtOH and H2O molecules
were found to be badly disordered. Attempts to model the disorder were
unsatisfactory. The contributions to the scattering factors due to these
solvent molecules were removed by use of the utility SQUEEZE (Sluis and
Spek, 1990) in PLATON98 (Spek, 1998). PLATON98 was used as incorporated
in WinGX (Farrugia, 1999).

Restraints: ISOR was applied to all non-hydrogen atoms to allow their Uij
components approximate to isotropic behavior.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           fullcycle
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1020P)²+154.0389P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         63227
_refine_ls_number_parameters     3598
_refine_ls_number_restraints     2392
_refine_ls_R_factor_all          0.1043
_refine_ls_R_factor_gt           0.0690
_refine_ls_wR_factor_ref         0.1970
_refine_ls_wR_factor_gt          0.1809
_refine_ls_goodness_of_fit_ref   1.126
_refine_ls_restrained_S_all      1.125
_refine_ls_shift/su_max          0.000
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.390635(10) 0.253356(10) 0.434288(18) 0.02396(11) Uani 1 1 d U . .
Eu2 Eu 0.258067(11) 0.282082(11) 0.666804(18) 0.02475(11) Uani 1 1 d U . .
Eu3 Eu 0.463219(12) 0.424765(11) 0.66518(2) 0.03344(13) Uani 1 1 d U . .
Eu4 Eu 0.494352(11) 0.216994(11) 0.76243(2) 0.03480(13) Uani 1 1 d U . .
Eu5 Eu 0.289305(11) 0.121636(11) 0.858464(18) 0.02875(12) Uani 1 1 d U . .
Eu6 Eu 0.424832(12) 0.307016(12) 1.02425(2) 0.03707(14) Uani 1 1 d U . .
Cd16 Cd 0.260304(19) 0.152144(18) 0.95953(3) 0.0414(2) Uani 1 1 d U . .
Cd7 Cd 0.225033(18) 0.218512(18) 0.57265(3) 0.03957(19) Uani 1 1 d U . .
Cd3 Cd 0.469884(18) 0.311686(17) 0.42091(3) 0.0417(2) Uani 1 1 d U . .
Cd2 Cd 0.474742(18) 0.376251(17) 0.56547(3) 0.0423(2) Uani 1 1 d U . .
Cd6 Cd 0.23897(2) 0.23507(2) 0.42960(3) 0.0475(2) Uani 1 1 d U . .
Cd5 Cd 0.313451(19) 0.226947(19) 0.49242(3) 0.0432(2) Uani 1 1 d U . .
Cd15 Cd 0.350852(19) 0.123884(19) 0.76864(3) 0.0455(2) Uani 1 1 d U . .
Cd4 Cd 0.48403(2) 0.384045(18) 0.37492(4) 0.0485(2) Uani 1 1 d U . .
Cd18 Cd 0.34708(2) 0.243463(19) 1.00411(3) 0.0451(2) Uani 1 1 d U . .
Cd17 Cd 0.28449(2) 0.16130(2) 1.09694(3) 0.0485(2) Uani 1 1 d U . .
Cd14 Cd 0.44672(2) 0.146142(19) 0.69566(4) 0.0518(2) Uani 1 1 d U . .
Cd8 Cd 0.322876(19) 0.351305(19) 0.72305(4) 0.0533(2) Uani 1 1 d U . .
Cd9 Cd 0.35648(2) 0.448186(19) 0.68225(4) 0.0542(2) Uani 1 1 d U . .
Cd13 Cd 0.50615(2) 0.278620(19) 0.85612(4) 0.0527(2) Uani 1 1 d U . .
Cd12 Cd 0.50466(2) 0.33922(2) 0.99785(4) 0.0580(2) Uani 1 1 d U . .
Cd1 Cd 0.416419(19) 0.443461(19) 0.74672(4) 0.0487(2) Uani 1 1 d U . .
Cd11 Cd 0.40703(3) 0.08037(2) 0.77388(5) 0.0810(3) Uani 1 1 d U . .
Cd10 Cd 0.53925(3) 0.29730(3) 1.03759(6) 0.0895(4) Uani 1 1 d U . .
Cl1 Cl 0.25421(8) 0.11434(8) 1.14735(13) 0.0662(9) Uani 1 1 d U . .
Cl2 Cl 0.19864(9) 0.24035(9) 0.38662(14) 0.0755(10) Uani 1 1 d U . .
Cl3 Cl 0.48490(10) 0.38375(8) 0.27496(14) 0.0796(11) Uani 1 1 d U . .
Cl4 Cl 0.37095(8) 0.49982(8) 0.65541(19) 0.0890(13) Uani 1 1 d U . .
Cl5 Cl 0.46190(11) 0.22501(10) 0.8491(2) 0.1049(14) Uani 1 1 d U . .
Cl6 Cl 0.44343(13) 0.06212(11) 0.7852(2) 0.1227(17) Uani 1 1 d U . .
Cl7 Cl 0.42616(15) 0.37449(16) 0.6005(3) 0.165(3) Uani 1 1 d U . .
Cl8 Cl 0.5462(7) 0.3012(4) 1.1372(8) 0.181(10) Uani 0.53(4) 1 d PU A 1
Cl8' Cl 0.5676(10) 0.3087(6) 1.1210(11) 0.217(13) Uani 0.47(4) 1 d PU A 2
N1 N 0.38561(19) 0.20367(17) 0.4138(3) 0.035(2) Uani 1 1 d U . .
N2 N 0.32989(19) 0.08784(18) 0.7027(3) 0.037(2) Uani 1 1 d U . .
N3 N 0.28112(18) 0.17864(19) 0.4666(3) 0.038(2) Uani 1 1 d U . .
N4 N 0.2476(2) 0.09433(19) 0.7899(3) 0.042(2) Uani 1 1 d U . .
N5 N 0.1927(2) 0.1702(2) 0.5996(3) 0.043(2) Uani 1 1 d U . .
N6 N 0.2235(2) 0.16094(19) 0.9331(3) 0.043(2) Uani 1 1 d U . .
N7 N 0.22501(19) 0.26938(18) 0.7488(3) 0.037(2) Uani 1 1 d U . .
N8 N 0.3137(2) 0.2565(2) 1.0436(3) 0.045(2) Uani 1 1 d U . .
N9 N 0.3084(2) 0.3699(2) 0.7942(4) 0.047(2) Uani 1 1 d U . .
N10 N 0.4152(2) 0.3486(2) 1.0459(4) 0.051(2) Uani 1 1 d U . .
N11 N 0.4250(2) 0.4538(2) 0.8367(4) 0.053(2) Uani 1 1 d U . .
N12 N 0.5326(3) 0.3866(2) 0.9645(5) 0.069(3) Uani 1 1 d U . .
N13 N 0.5150(2) 0.4503(2) 0.7054(4) 0.050(2) Uani 1 1 d U . .
N14 N 0.5536(2) 0.3179(2) 0.8449(4) 0.054(3) Uani 1 1 d U . .
N15 N 0.52564(19) 0.39570(18) 0.5538(3) 0.040(2) Uani 1 1 d U . .
N16 N 0.5376(2) 0.2482(2) 0.7004(4) 0.050(2) Uani 1 1 d U . .
N17 N 0.5098(2) 0.3048(2) 0.4307(4) 0.048(2) Uani 1 1 d U . .
N18 N 0.4448(2) 0.1451(2) 0.6044(4) 0.055(3) Uani 1 1 d U . .
O1 O 0.47505(16) 0.29976(15) 0.3222(3) 0.0473(19) Uani 1 1 d U . .
O2 O 0.43377(16) 0.26364(14) 0.3918(3) 0.0408(17) Uani 1 1 d U . .
O3 O 0.30427(16) 0.09438(16) 0.8076(3) 0.0447(18) Uani 1 1 d U . .
O4 O 0.26579(18) 0.06726(16) 0.8854(3) 0.050(2) Uani 1 1 d U . .
O5 O 0.37394(15) 0.24108(14) 0.3344(3) 0.0375(16) Uani 1 1 d U . .
O6 O 0.34050(15) 0.22285(14) 0.4204(2) 0.0352(16) Uani 1 1 d U . .
O7 O 0.24599(16) 0.11189(15) 0.8997(3) 0.0416(17) Uani 1 1 d U . .
O8 O 0.21381(17) 0.10137(17) 0.9895(3) 0.051(2) Uani 1 1 d U . .
O9 O 0.21870(18) 0.18626(18) 0.3859(3) 0.054(2) Uani 1 1 d U . .
O10 O 0.21643(16) 0.19643(16) 0.4902(3) 0.0446(18) Uani 1 1 d U . .
O11 O 0.25529(16) 0.17054(15) 1.0396(3) 0.0421(17) Uani 1 1 d U . .
O12 O 0.2547(2) 0.1805(2) 1.1438(3) 0.064(2) Uani 1 1 d U . .
O13 O 0.17575(16) 0.21856(17) 0.5619(3) 0.0449(18) Uani 1 1 d U . .
O14 O 0.21418(15) 0.24221(15) 0.6433(3) 0.0389(17) Uani 1 1 d U . .
O15 O 0.37861(17) 0.28216(17) 1.0622(3) 0.051(2) Uani 1 1 d U . .
O16 O 0.42334(17) 0.31094(18) 1.1276(3) 0.054(2) Uani 1 1 d U . .
O17 O 0.22340(16) 0.30357(15) 0.6508(3) 0.0395(17) Uani 1 1 d U . .
O18 O 0.27212(15) 0.32685(16) 0.7079(3) 0.0429(18) Uani 1 1 d U . .
O19 O 0.46953(18) 0.34680(18) 1.0436(3) 0.058(2) Uani 1 1 d U . .
O20 O 0.5219(2) 0.3658(2) 1.0882(4) 0.079(3) Uani 1 1 d U . .
O21 O 0.32635(18) 0.44873(19) 0.7568(4) 0.066(2) Uani 1 1 d U . .
O22 O 0.37739(16) 0.45024(17) 0.7636(3) 0.052(2) Uani 1 1 d U . .
O23 O 0.54826(19) 0.3399(2) 0.9964(4) 0.074(3) Uani 1 1 d U A .
O24 O 0.5892(2) 0.3251(2) 0.9997(5) 0.101(4) Uani 1 1 d U A .
O25 O 0.44710(17) 0.49944(16) 0.7331(3) 0.051(2) Uani 1 1 d U . .
O26 O 0.46531(16) 0.45948(16) 0.7217(3) 0.0494(19) Uani 1 1 d U . .
O27 O 0.52848(17) 0.25421(17) 0.8159(3) 0.052(2) Uani 1 1 d U . .
O28 O 0.53795(19) 0.2103(2) 0.7964(4) 0.070(3) Uani 1 1 d U D .
O29 O 0.4916(2) 0.47340(17) 0.6103(3) 0.066(2) Uani 1 1 d U . .
O30 O 0.49258(17) 0.42414(16) 0.5972(3) 0.051(2) Uani 1 1 d U . .
O31 O 0.49631(17) 0.18572(18) 0.7007(3) 0.057(2) Uani 1 1 d U . .
O32 O 0.4862(2) 0.13124(18) 0.6793(4) 0.068(2) Uani 1 1 d U . .
O33 O 0.53636(18) 0.41767(17) 0.3932(3) 0.063(2) Uani 1 1 d U . .
O34 O 0.50695(16) 0.35931(16) 0.4039(3) 0.0481(19) Uani 1 1 d U . .
O35 O 0.41286(19) 0.09734(17) 0.6880(3) 0.061(2) Uani 1 1 d U . .
O36 O 0.3723(2) 0.0428(2) 0.7046(4) 0.087(3) Uani 1 1 d U . .
O37 O 0.38340(15) 0.23049(15) 0.5148(3) 0.0383(17) Uani 1 1 d U . .
O38 O 0.33894(16) 0.21468(16) 0.5553(3) 0.0436(18) Uani 1 1 d U . .
O39 O 0.36708(17) 0.27407(16) 0.4856(3) 0.0499(19) Uani 1 1 d U . .
O40 O 0.3274(2) 0.2766(2) 0.4983(4) 0.083(3) Uani 1 1 d U . .
O41 O 0.28518(18) 0.23623(18) 0.4193(3) 0.060(2) Uani 1 1 d U . .
O42 O 0.27764(18) 0.26925(19) 0.3744(3) 0.060(2) Uani 1 1 d U . .
O43 O 0.27985(17) 0.22395(17) 0.5633(3) 0.0484(19) Uani 1 1 d U . .
O44 O 0.26696(16) 0.24609(16) 0.6252(3) 0.0427(18) Uani 1 1 d U . .
O45 O 0.24435(17) 0.25756(16) 0.5127(3) 0.0467(19) Uani 1 1 d U . .
O46 O 0.25767(17) 0.29286(16) 0.5750(3) 0.0476(19) Uani 1 1 d U . .
O47 O 0.28235(15) 0.27303(15) 0.7331(3) 0.0399(17) Uani 1 1 d U . .
O48 O 0.32160(17) 0.31219(15) 0.7713(3) 0.0489(19) Uani 1 1 d U . .
O49 O 0.37383(18) 0.38362(18) 0.7429(4) 0.069(2) Uani 1 1 d U . .
O50 O 0.42145(16) 0.40275(16) 0.7233(3) 0.0476(19) Uani 1 1 d U . .
O51 O 0.3239(2) 0.3941(2) 0.6730(4) 0.094(3) Uani 1 1 d U . .
O52 O 0.3211(2) 0.4251(2) 0.6155(4) 0.079(3) Uani 1 1 d U . .
O53 O 0.39769(19) 0.44389(18) 0.6633(3) 0.058(2) Uani 1 1 d U . .
O54 O 0.4302(2) 0.43526(19) 0.6185(3) 0.066(2) Uani 1 1 d U . .
O55 O 0.46863(16) 0.38901(15) 0.7046(3) 0.0437(18) Uani 1 1 d U . .
O56 O 0.47359(16) 0.35675(16) 0.6516(3) 0.0464(18) Uani 1 1 d U . .
O57 O 0.46521(15) 0.33131(15) 0.5229(3) 0.0429(18) Uani 1 1 d U . .
O58 O 0.43244(17) 0.28885(16) 0.4844(3) 0.0479(19) Uani 1 1 d U . .
O59 O 0.4771(2) 0.3951(2) 0.4742(3) 0.068(2) Uani 1 1 d U . .
O60 O 0.46688(19) 0.41434(18) 0.4017(3) 0.058(2) Uani 1 1 d U . .
O61 O 0.44564(16) 0.33521(16) 0.3887(3) 0.0486(19) Uani 1 1 d U . .
O62 O 0.39948(16) 0.29595(15) 0.3858(3) 0.0449(18) Uani 1 1 d U . .
O63 O 0.48500(16) 0.25077(15) 0.7264(3) 0.0468(19) Uani 1 1 d U . .
O64 O 0.48980(17) 0.28993(17) 0.7753(3) 0.054(2) Uani 1 1 d U . .
O65 O 0.5226(2) 0.2706(2) 0.9435(4) 0.090(3) Uani 1 1 d U A .
O66 O 0.5286(3) 0.2511(3) 1.0185(5) 0.116(4) Uani 1 1 d U A .
O67 O 0.4946(2) 0.2963(2) 1.0438(4) 0.074(3) Uani 1 1 d U A .
O68 O 0.44688(19) 0.28300(19) 1.0656(3) 0.065(2) Uani 1 1 d U A .
O69 O 0.40330(17) 0.31278(17) 0.9491(3) 0.052(2) Uani 1 1 d U . .
O70 O 0.35649(16) 0.27636(16) 0.9305(3) 0.0476(19) Uani 1 1 d U . .
O71 O 0.40050(19) 0.25977(19) 0.9867(3) 0.065(2) Uani 1 1 d U . .
O72 O 0.36986(19) 0.21210(19) 0.9913(3) 0.066(2) Uani 1 1 d U . .
O73 O 0.30988(17) 0.20538(16) 0.9480(3) 0.0455(18) Uani 1 1 d U . .
O74 O 0.29676(16) 0.16718(15) 0.8948(3) 0.0428(18) Uani 1 1 d U . .
O75 O 0.32873(17) 0.20946(17) 1.0801(3) 0.051(2) Uani 1 1 d U . .
O76 O 0.3272(2) 0.17926(19) 1.1447(3) 0.066(2) Uani 1 1 d U . .
O77 O 0.28833(17) 0.14119(16) 1.0151(3) 0.0458(18) Uani 1 1 d U . .
O78 O 0.29939(19) 0.11709(18) 0.9509(3) 0.058(2) Uani 1 1 d U . .
O79 O 0.45896(18) 0.31277(19) 0.9545(3) 0.059(2) Uani 1 1 d U . .
O80 O 0.49073(18) 0.30660(18) 0.9050(3) 0.060(2) Uani 1 1 d U . .
O81 O 0.34144(19) 0.14756(17) 0.8630(3) 0.054(2) Uani 1 1 d U . .
O82 O 0.3787(2) 0.1411(2) 0.8436(4) 0.085(3) Uani 1 1 d U . .
O83 O 0.30111(17) 0.15232(15) 0.7853(3) 0.0448(18) Uani 1 1 d U . .
O84 O 0.33776(16) 0.15645(16) 0.7303(3) 0.0476(19) Uani 1 1 d U . .
O85 O 0.3653(2) 0.0850(2) 0.8000(4) 0.092(3) Uani 1 1 d U . .
O86 O 0.3809(3) 0.0620(3) 0.8531(5) 0.125(4) Uani 1 1 d U . .
O87 O 0.47674(19) 0.17488(17) 0.8153(4) 0.066(2) Uani 1 1 d U . .
O88 O 0.44256(19) 0.13046(18) 0.7829(3) 0.064(2) Uani 1 1 d U . .
O89 O 0.44564(16) 0.18751(16) 0.7282(3) 0.0489(19) Uani 1 1 d U . .
O90 O 0.39850(16) 0.15129(16) 0.7241(3) 0.051(2) Uani 1 1 d U . .
O91 O 0.3141(2) 0.3168(2) 0.6384(5) 0.120 Uiso 1 1 d D . .
O92 O 0.3449(3) 0.3627(2) 0.6501(5) 0.120 Uiso 1 1 d D . .
C1 C 0.5000(3) 0.3203(3) 0.2888(5) 0.063(3) Uani 1 1 d U . .
H1A H 0.4980 0.3118 0.2529 0.094 Uiso 1 1 calc R . .
H1B H 0.5185 0.3236 0.3052 0.094 Uiso 1 1 calc R . .
H1C H 0.5002 0.3390 0.2861 0.094 Uiso 1 1 calc R . .
C2 C 0.4614(2) 0.2689(2) 0.3110(4) 0.042(3) Uani 1 1 d U . .
C3 C 0.4694(3) 0.2571(3) 0.2683(5) 0.055(3) Uani 1 1 d U . .
H3A H 0.4852 0.2695 0.2454 0.066 Uiso 1 1 calc R . .
C4 C 0.4536(3) 0.2266(3) 0.2595(6) 0.066(4) Uani 1 1 d U . .
H4A H 0.4584 0.2185 0.2297 0.079 Uiso 1 1 calc R . .
C5 C 0.4306(3) 0.2076(3) 0.2949(5) 0.049(3) Uani 1 1 d U . .
H5A H 0.4197 0.1870 0.2883 0.059 Uiso 1 1 calc R . .
C6 C 0.4241(3) 0.2196(3) 0.3397(5) 0.047(3) Uani 1 1 d U . .
C7 C 0.4392(2) 0.2505(2) 0.3496(4) 0.041(3) Uani 1 1 d U . .
C8 C 0.3999(2) 0.1985(2) 0.3752(4) 0.039(3) Uani 1 1 d U . .
H8A H 0.3936 0.1783 0.3693 0.047 Uiso 1 1 calc R . .
C9 C 0.3615(2) 0.1770(2) 0.4415(4) 0.038(2) Uani 1 1 d U . .
H9A H 0.3504 0.1614 0.4146 0.045 Uiso 1 1 calc R . .
H9B H 0.3476 0.1823 0.4583 0.045 Uiso 1 1 calc R . .
C10 C 0.3736(2) 0.1645(2) 0.4857(4) 0.040(3) Uani 1 1 d U . .
H10A H 0.3891 0.1811 0.5067 0.048 Uiso 1 1 calc R . .
H10B H 0.3827 0.1540 0.4683 0.048 Uiso 1 1 calc R . .
C11 C 0.3484(2) 0.1428(2) 0.5246(4) 0.038(2) Uani 1 1 d U . .
H11A H 0.3402 0.1538 0.5435 0.045 Uiso 1 1 calc R . .
H11B H 0.3323 0.1271 0.5031 0.045 Uiso 1 1 calc R . .
C12 C 0.3590(2) 0.1285(2) 0.5665(4) 0.037(2) Uani 1 1 d U . .
H12A H 0.3784 0.1436 0.5805 0.044 Uiso 1 1 calc R . .
H12B H 0.3615 0.1130 0.5488 0.044 Uiso 1 1 calc R . .
C13 C 0.3373(3) 0.1146(2) 0.6142(4) 0.044(3) Uani 1 1 d U . .
H13A H 0.3374 0.1304 0.6360 0.053 Uiso 1 1 calc R . .
H13B H 0.3171 0.1020 0.6002 0.053 Uiso 1 1 calc R . .
C14 C 0.3457(2) 0.0958(2) 0.6502(4) 0.036(2) Uani 1 1 d U . .
H14A H 0.3411 0.0774 0.6309 0.043 Uiso 1 1 calc R . .
H14B H 0.3672 0.1069 0.6569 0.043 Uiso 1 1 calc R . .
C15 C 0.3084(2) 0.0608(2) 0.7101(4) 0.037(2) Uani 1 1 d U . .
H15A H 0.3040 0.0475 0.6809 0.045 Uiso 1 1 calc R . .
C16 C 0.2902(2) 0.0486(2) 0.7588(5) 0.044(3) Uani 1 1 d U . .
C17 C 0.2714(3) 0.0162(3) 0.7578(5) 0.056(3) Uani 1 1 d U . .
H17A H 0.2716 0.0051 0.7279 0.067 Uiso 1 1 calc R . .
C18 C 0.2532(3) 0.0021(3) 0.8024(5) 0.059(3) Uani 1 1 d U . .
H18A H 0.2423 -0.0188 0.8032 0.071 Uiso 1 1 calc R . .
C19 C 0.2506(3) 0.0176(3) 0.8449(5) 0.054(3) Uani 1 1 d U . .
H19A H 0.2378 0.0075 0.8740 0.065 Uiso 1 1 calc R . .
C20 C 0.2671(2) 0.0483(2) 0.8442(4) 0.043(3) Uani 1 1 d U . .
C23 C 0.3895(2) 0.2564(2) 0.2854(4) 0.044(3) Uani 1 1 d U . .
H23A H 0.3756 0.2497 0.2553 0.066 Uiso 1 1 calc R . .
H23B H 0.4053 0.2522 0.2780 0.066 Uiso 1 1 calc R . .
H23C H 0.3978 0.2777 0.2902 0.066 Uiso 1 1 calc R . .
C24 C 0.3461(2) 0.2157(2) 0.3267(4) 0.036(2) Uani 1 1 d U . .
C25 C 0.3357(2) 0.2005(2) 0.2779(4) 0.041(3) Uani 1 1 d U . .
H25A H 0.3475 0.2071 0.2465 0.049 Uiso 1 1 calc R . .
C26 C 0.3073(2) 0.1748(3) 0.2767(4) 0.046(3) Uani 1 1 d U . .
H26A H 0.3000 0.1641 0.2442 0.055 Uiso 1 1 calc R . .
C27 C 0.2900(3) 0.1651(2) 0.3232(4) 0.044(3) Uani 1 1 d U . .
H27A H 0.2715 0.1474 0.3220 0.053 Uiso 1 1 calc R . .
C28 C 0.2995(2) 0.1813(2) 0.3731(4) 0.037(2) Uani 1 1 d U . .
C29 C 0.3286(2) 0.2072(2) 0.3754(4) 0.032(2) Uani 1 1 d U . .
C30 C 0.2787(2) 0.1679(2) 0.4194(4) 0.038(2) Uani 1 1 d U . .
H30A H 0.2617 0.1492 0.4130 0.046 Uiso 1 1 calc R . .
C31 C 0.2585(2) 0.1591(3) 0.5071(4) 0.044(3) Uani 1 1 d U . .
H31A H 0.2418 0.1426 0.4883 0.053 Uiso 1 1 calc R . .
H31B H 0.2509 0.1705 0.5261 0.053 Uiso 1 1 calc R . .
C32 C 0.2715(3) 0.1468(2) 0.5484(4) 0.044(3) Uani 1 1 d U . .
H32A H 0.2915 0.1625 0.5585 0.052 Uiso 1 1 calc R . .
H32B H 0.2733 0.1306 0.5316 0.052 Uiso 1 1 calc R . .
C33 C 0.2524(2) 0.1349(2) 0.5997(4) 0.044(3) Uani 1 1 d U . .
H33A H 0.2319 0.1205 0.5894 0.053 Uiso 1 1 calc R . .
H33B H 0.2521 0.1515 0.6183 0.053 Uiso 1 1 calc R . .
C34 C 0.2640(2) 0.1199(2) 0.6393(4) 0.043(3) Uani 1 1 d U . .
H34A H 0.2854 0.1330 0.6447 0.051 Uiso 1 1 calc R . .
H34B H 0.2609 0.1013 0.6231 0.051 Uiso 1 1 calc R . .
C35 C 0.2480(3) 0.1129(3) 0.6952(4) 0.049(3) Uani 1 1 d U . .
H35A H 0.2532 0.1317 0.7135 0.059 Uiso 1 1 calc R . .
H35B H 0.2264 0.1019 0.6896 0.059 Uiso 1 1 calc R . .
C22 C 0.2501(3) 0.0541(3) 0.9352(5) 0.058(3) Uani 1 1 d U . .
H22A H 0.2436 0.0330 0.9353 0.088 Uiso 1 1 calc R . .
H22B H 0.2329 0.0568 0.9379 0.088 Uiso 1 1 calc R . .
H22C H 0.2633 0.0637 0.9657 0.088 Uiso 1 1 calc R . .
C36 C 0.2567(3) 0.0949(3) 0.7309(4) 0.048(3) Uani 1 1 d U . .
H36A H 0.2783 0.1032 0.7290 0.058 Uiso 1 1 calc R . .
H36B H 0.2472 0.0744 0.7171 0.058 Uiso 1 1 calc R . .
C37 C 0.2199(2) 0.0791(2) 0.7985(4) 0.037(2) Uani 1 1 d U . .
H37A H 0.2083 0.0683 0.7686 0.045 Uiso 1 1 calc R . .
C38 C 0.2032(2) 0.0760(2) 0.8483(4) 0.043(3) Uani 1 1 d U . .
C39 C 0.1711(3) 0.0566(3) 0.8469(5) 0.053(3) Uani 1 1 d U . .
H39A H 0.1616 0.0466 0.8148 0.063 Uiso 1 1 calc R . .
C40 C 0.1546(3) 0.0530(3) 0.8928(5) 0.062(3) Uani 1 1 d U . .
H40A H 0.1338 0.0408 0.8913 0.074 Uiso 1 1 calc R . .
C41 C 0.1677(3) 0.0666(2) 0.9408(5) 0.051(3) Uani 1 1 d U . .
H41A H 0.1559 0.0631 0.9720 0.061 Uiso 1 1 calc R . .
C42 C 0.1982(3) 0.0855(3) 0.9431(5) 0.048(3) Uani 1 1 d U . .
C43 C 0.2164(2) 0.0915(2) 0.8966(4) 0.042(3) Uani 1 1 d U . .
C44 C 0.1964(3) 0.0963(3) 1.0386(5) 0.071(4) Uani 1 1 d U . .
H44A H 0.1804 0.0757 1.0398 0.106 Uiso 1 1 calc R . .
H44B H 0.1879 0.1093 1.0387 0.106 Uiso 1 1 calc R . .
H44C H 0.2091 0.1006 1.0700 0.106 Uiso 1 1 calc R . .
C45 C 0.2215(3) 0.1822(3) 0.3297(5) 0.078(4) Uani 1 1 d U . .
H45A H 0.2169 0.1619 0.3233 0.117 Uiso 1 1 calc R . .
H45B H 0.2417 0.1959 0.3181 0.117 Uiso 1 1 calc R . .
H45C H 0.2077 0.1860 0.3095 0.117 Uiso 1 1 calc R . .
C46 C 0.1995(2) 0.1615(3) 0.4183(4) 0.045(3) Uani 1 1 d U . .
C47 C 0.1819(3) 0.1333(3) 0.3971(5) 0.055(3) Uani 1 1 d U . .
H47A H 0.1820 0.1300 0.3597 0.066 Uiso 1 1 calc R . .
C48 C 0.1638(3) 0.1097(3) 0.4323(5) 0.066(4) Uani 1 1 d U . .
H48A H 0.1519 0.0903 0.4186 0.079 Uiso 1 1 calc R . .
C49 C 0.1637(3) 0.1152(3) 0.4883(5) 0.057(3) Uani 1 1 d U . .
H49A H 0.1520 0.0993 0.5118 0.068 Uiso 1 1 calc R . .
C50 C 0.1811(3) 0.1446(3) 0.5097(5) 0.048(3) Uani 1 1 d U . .
C21 C 0.2876(2) 0.0643(2) 0.8030(4) 0.035(2) Uani 1 1 d U . .
C51 C 0.1997(2) 0.1687(2) 0.4743(4) 0.043(3) Uani 1 1 d U . .
C52 C 0.1795(3) 0.1474(2) 0.5692(4) 0.045(3) Uani 1 1 d U . .
H52A H 0.1668 0.1296 0.5873 0.054 Uiso 1 1 calc R . .
C53 C 0.1865(2) 0.1669(3) 0.6597(4) 0.046(3) Uani 1 1 d U . .
H53A H 0.1704 0.1467 0.6677 0.055 Uiso 1 1 calc R . .
H53B H 0.1802 0.1809 0.6716 0.055 Uiso 1 1 calc R . .
C54 C 0.2150(2) 0.1731(3) 0.6904(4) 0.046(3) Uani 1 1 d U . .
H54A H 0.2196 0.1574 0.6820 0.056 Uiso 1 1 calc R . .
H54B H 0.2317 0.1921 0.6781 0.056 Uiso 1 1 calc R . .
C55 C 0.2115(2) 0.1743(3) 0.7516(4) 0.046(3) Uani 1 1 d U . .
H55A H 0.1944 0.1556 0.7641 0.055 Uiso 1 1 calc R . .
H55B H 0.2078 0.1906 0.7606 0.055 Uiso 1 1 calc R . .
C56 C 0.2404(3) 0.1793(3) 0.7805(4) 0.052(3) Uani 1 1 d U . .
H56A H 0.2428 0.1621 0.7735 0.062 Uiso 1 1 calc R . .
H56B H 0.2575 0.1968 0.7644 0.062 Uiso 1 1 calc R . .
C57 C 0.2409(3) 0.1840(3) 0.8416(5) 0.057(3) Uani 1 1 d U . .
H57A H 0.2602 0.1877 0.8556 0.068 Uiso 1 1 calc R . .
H57B H 0.2394 0.2018 0.8486 0.068 Uiso 1 1 calc R . .
C58 C 0.2164(2) 0.1581(2) 0.8726(4) 0.042(3) Uani 1 1 d U . .
H58A H 0.2142 0.1393 0.8589 0.050 Uiso 1 1 calc R . .
H58B H 0.1975 0.1577 0.8669 0.050 Uiso 1 1 calc R . .
C59 C 0.2055(3) 0.1644(3) 0.9644(5) 0.051(3) Uani 1 1 d U . .
H59A H 0.1894 0.1646 0.9474 0.061 Uiso 1 1 calc R . .
C60 C 0.2073(3) 0.1679(3) 1.0234(5) 0.049(3) Uani 1 1 d U . .
C61 C 0.1822(3) 0.1674(3) 1.0483(5) 0.058(3) Uani 1 1 d U . .
H61A H 0.1665 0.1655 1.0266 0.070 Uiso 1 1 calc R . .
C62 C 0.1807(3) 0.1695(3) 1.1044(5) 0.065(4) Uani 1 1 d U . .
H62A H 0.1637 0.1688 1.1198 0.079 Uiso 1 1 calc R . .
C63 C 0.2029(3) 0.1727(3) 1.1372(5) 0.061(3) Uani 1 1 d U . .
H63A H 0.2008 0.1732 1.1750 0.074 Uiso 1 1 calc R . .
C64 C 0.2291(3) 0.1754(3) 1.1159(5) 0.060(3) Uani 1 1 d U . .
C65 C 0.2313(3) 0.1710(3) 1.0576(5) 0.050(3) Uani 1 1 d U . .
C66 C 0.2512(4) 0.1778(4) 1.2028(5) 0.081(4) Uani 1 1 d U . .
H66A H 0.2389 0.1860 1.2146 0.122 Uiso 1 1 calc R . .
H66B H 0.2706 0.1886 1.2199 0.122 Uiso 1 1 calc R . .
H66C H 0.2417 0.1570 1.2130 0.122 Uiso 1 1 calc R . .
C67 C 0.1560(3) 0.2057(3) 0.5176(5) 0.061(3) Uani 1 1 d U . .
H67A H 0.1390 0.2084 0.5225 0.091 Uiso 1 1 calc R . .
H67B H 0.1493 0.1846 0.5159 0.091 Uiso 1 1 calc R . .
H67C H 0.1662 0.2152 0.4843 0.091 Uiso 1 1 calc R . .
C68 C 0.1637(3) 0.2205(3) 0.6114(4) 0.046(3) Uani 1 1 d U . .
C69 C 0.1336(2) 0.2103(2) 0.6211(4) 0.042(3) Uani 1 1 d U . .
H69A H 0.1195 0.2008 0.5934 0.051 Uiso 1 1 calc R . .
C70 C 0.1244(3) 0.2143(3) 0.6723(5) 0.051(3) Uani 1 1 d U . .
H70A H 0.1041 0.2071 0.6788 0.062 Uiso 1 1 calc R . .
C71 C 0.1446(2) 0.2286(2) 0.7129(5) 0.043(3) Uani 1 1 d U . .
H71A H 0.1381 0.2316 0.7465 0.052 Uiso 1 1 calc R . .
C72 C 0.1760(2) 0.2390(2) 0.7046(4) 0.041(3) Uani 1 1 d U . .
C73 C 0.1858(2) 0.2344(2) 0.6537(4) 0.038(2) Uani 1 1 d U . .
C74 C 0.1965(2) 0.2554(2) 0.7489(4) 0.032(2) Uani 1 1 d U . .
H74A H 0.1876 0.2556 0.7818 0.039 Uiso 1 1 calc R . .
C75 C 0.2394(2) 0.2838(2) 0.8020(4) 0.039(3) Uani 1 1 d U . .
H75A H 0.2284 0.2926 0.8185 0.046 Uiso 1 1 calc R . .
H75B H 0.2599 0.2998 0.7953 0.046 Uiso 1 1 calc R . .
C76 C 0.2400(3) 0.2612(2) 0.8416(4) 0.050(3) Uani 1 1 d U . .
H76A H 0.2198 0.2477 0.8546 0.059 Uiso 1 1 calc R . .
H76B H 0.2469 0.2492 0.8224 0.059 Uiso 1 1 calc R . .
C77 C 0.2604(3) 0.2765(2) 0.8903(4) 0.045(3) Uani 1 1 d U . .
H77A H 0.2540 0.2892 0.9082 0.054 Uiso 1 1 calc R . .
H77B H 0.2808 0.2894 0.8771 0.054 Uiso 1 1 calc R . .
C78 C 0.2607(3) 0.2540(3) 0.9333(5) 0.053(3) Uani 1 1 d U . .
H78A H 0.2422 0.2455 0.9544 0.064 Uiso 1 1 calc R . .
H78B H 0.2610 0.2376 0.9140 0.064 Uiso 1 1 calc R . .
C79 C 0.2874(3) 0.2685(3) 0.9722(4) 0.047(3) Uani 1 1 d U . .
H79A H 0.2877 0.2854 0.9908 0.056 Uiso 1 1 calc R . .
H79B H 0.3060 0.2760 0.9518 0.056 Uiso 1 1 calc R . .
C80 C 0.2849(2) 0.2453(3) 1.0145(4) 0.047(3) Uani 1 1 d U . .
H80A H 0.2691 0.2415 1.0405 0.056 Uiso 1 1 calc R . .
H80B H 0.2797 0.2265 0.9962 0.056 Uiso 1 1 calc R . .
C81 C 0.3160(3) 0.2672(2) 1.0915(4) 0.046(3) Uani 1 1 d U . .
H81A H 0.2987 0.2662 1.1061 0.055 Uiso 1 1 calc R . .
C82 C 0.3432(3) 0.2813(2) 1.1263(4) 0.043(3) Uani 1 1 d U . .
C83 C 0.3386(3) 0.2901(3) 1.1798(5) 0.057(3) Uani 1 1 d U . .
H83A H 0.3195 0.2858 1.1904 0.069 Uiso 1 1 calc R . .
C84 C 0.3618(3) 0.3047(3) 1.2147(5) 0.057(3) Uani 1 1 d U . .
H84A H 0.3582 0.3094 1.2495 0.069 Uiso 1 1 calc R . .
C85 C 0.3917(3) 0.3129(3) 1.1997(5) 0.052(3) Uani 1 1 d U . .
H85A H 0.4077 0.3233 1.2237 0.063 Uiso 1 1 calc R . .
C86 C 0.3960(3) 0.3049(3) 1.1481(4) 0.048(3) Uani 1 1 d U . .
C87 C 0.3721(2) 0.2888(2) 1.1108(4) 0.038(3) Uani 1 1 d U . .
C88 C 0.4477(3) 0.3197(3) 1.1675(5) 0.063(3) Uani 1 1 d U . .
H88A H 0.4419 0.3040 1.1941 0.095 Uiso 1 1 calc R . .
H88B H 0.4516 0.3379 1.1856 0.095 Uiso 1 1 calc R . .
H88C H 0.4656 0.3229 1.1489 0.095 Uiso 1 1 calc R . .
C89 C 0.2018(3) 0.2969(3) 0.6072(5) 0.054(3) Uani 1 1 d U . .
H89A H 0.1857 0.2998 0.6203 0.081 Uiso 1 1 calc R . .
H89B H 0.1937 0.2764 0.5957 0.081 Uiso 1 1 calc R . .
H89C H 0.2115 0.3101 0.5768 0.081 Uiso 1 1 calc R . .
C90 C 0.2264(2) 0.3251(2) 0.6886(4) 0.043(3) Uani 1 1 d U . .
C91 C 0.2057(3) 0.3337(3) 0.6978(5) 0.049(3) Uani 1 1 d U . .
H91A H 0.1878 0.3250 0.6780 0.059 Uiso 1 1 calc R . .
C92 C 0.2113(3) 0.3561(3) 0.7374(5) 0.061(3) Uani 1 1 d U . .
H92A H 0.1979 0.3630 0.7430 0.073 Uiso 1 1 calc R . .
C93 C 0.2373(3) 0.3672(3) 0.7673(5) 0.059(3) Uani 1 1 d U . .
H93A H 0.2408 0.3812 0.7945 0.071 Uiso 1 1 calc R . .
C94 C 0.2592(2) 0.3584(2) 0.7588(5) 0.045(3) Uani 1 1 d U . .
C95 C 0.2541(2) 0.3373(2) 0.7188(4) 0.041(3) Uani 1 1 d U . .
C96 C 0.2845(2) 0.3711(3) 0.7960(5) 0.048(3) Uani 1 1 d U . .
H96A H 0.2829 0.3818 0.8254 0.058 Uiso 1 1 calc R . .
C97 C 0.3302(3) 0.3841(3) 0.8386(5) 0.052(3) Uani 1 1 d U . .
H97A H 0.3259 0.3979 0.8582 0.062 Uiso 1 1 calc R . .
H97B H 0.3502 0.3955 0.8232 0.062 Uiso 1 1 calc R . .
C98 C 0.3293(3) 0.3609(3) 0.8784(5) 0.059(3) Uani 1 1 d U . .
H98A H 0.3279 0.3440 0.8582 0.071 Uiso 1 1 calc R . .
H98B H 0.3117 0.3535 0.9016 0.071 Uiso 1 1 calc R . .
C99 C 0.3575(3) 0.3747(3) 0.9139(5) 0.059(3) Uani 1 1 d U . .
H99A H 0.3605 0.3934 0.9294 0.071 Uiso 1 1 calc R . .
H99B H 0.3748 0.3794 0.8911 0.071 Uiso 1 1 calc R . .
C100 C 0.3559(3) 0.3537(3) 0.9610(5) 0.055(3) Uani 1 1 d U . .
H10C H 0.3428 0.3537 0.9896 0.066 Uiso 1 1 calc R . .
H10D H 0.3475 0.3334 0.9473 0.066 Uiso 1 1 calc R . .
C101 C 0.3866(3) 0.3639(3) 0.9845(5) 0.055(3) Uani 1 1 d U . .
H10E H 0.3955 0.3847 0.9965 0.066 Uiso 1 1 calc R . .
H10F H 0.3995 0.3629 0.9565 0.066 Uiso 1 1 calc R . .
C102 C 0.3845(3) 0.3443(3) 1.0327(5) 0.056(3) Uani 1 1 d U . .
H10G H 0.3766 0.3495 1.0643 0.067 Uiso 1 1 calc R . .
H10H H 0.3708 0.3234 1.0239 0.067 Uiso 1 1 calc R . .
C103 C 0.4329(3) 0.3739(3) 1.0698(5) 0.066(4) Uani 1 1 d U . .
H10I H 0.4251 0.3865 1.0762 0.079 Uiso 1 1 calc R . .
C104 C 0.4636(3) 0.3847(3) 1.0879(5) 0.070(4) Uani 1 1 d U . .
C105 C 0.4776(3) 0.4129(4) 1.1185(6) 0.086(5) Uani 1 1 d U . .
H10J H 0.4673 0.4233 1.1245 0.103 Uiso 1 1 calc R . .
C106 C 0.5051(4) 0.4233(4) 1.1377(7) 0.095(5) Uani 1 1 d U . .
H10K H 0.5140 0.4409 1.1582 0.114 Uiso 1 1 calc R . .
C107 C 0.5214(4) 0.4083(4) 1.1277(7) 0.098(5) Uani 1 1 d U . .
H10L H 0.5409 0.4162 1.1409 0.117 Uiso 1 1 calc R . .
C108 C 0.5086(3) 0.3829(3) 1.0992(5) 0.058(3) Uani 1 1 d U . .
C109 C 0.4801(3) 0.3706(3) 1.0771(5) 0.068(4) Uani 1 1 d U . .
C110 C 0.5519(4) 0.3750(4) 1.1114(7) 0.104(5) Uani 1 1 d U . .
H11C H 0.5541 0.3847 1.1460 0.155 Uiso 1 1 calc R . .
H11D H 0.5672 0.3886 1.0867 0.155 Uiso 1 1 calc R . .
H11E H 0.5539 0.3575 1.1165 0.155 Uiso 1 1 calc R . .
C111 C 0.2984(3) 0.4497(3) 0.7491(6) 0.075(4) Uani 1 1 d U . .
H11F H 0.2849 0.4396 0.7790 0.113 Uiso 1 1 calc R . .
H11G H 0.2890 0.4400 0.7153 0.113 Uiso 1 1 calc R . .
H11H H 0.3030 0.4703 0.7480 0.113 Uiso 1 1 calc R . .
C112 C 0.3393(3) 0.4545(3) 0.8087(6) 0.062(3) Uani 1 1 d U . .
C113 C 0.3273(3) 0.4591(3) 0.8538(6) 0.074(4) Uani 1 1 d U . .
H11I H 0.3093 0.4593 0.8511 0.089 Uiso 1 1 calc R . .
C114 C 0.3414(3) 0.4637(3) 0.9047(6) 0.081(4) Uani 1 1 d U . .
H11J H 0.3327 0.4663 0.9361 0.097 Uiso 1 1 calc R . .
C115 C 0.3687(3) 0.4644(3) 0.9071(6) 0.078(4) Uani 1 1 d U . .
H11K H 0.3782 0.4674 0.9408 0.093 Uiso 1 1 calc R . .
C116 C 0.3825(3) 0.4607(3) 0.8606(5) 0.052(3) Uani 1 1 d U . .
C117 C 0.3672(3) 0.4551(3) 0.8102(5) 0.053(3) Uani 1 1 d U . .
C118 C 0.4097(3) 0.4594(3) 0.8694(5) 0.063(3) Uani 1 1 d U . .
H11L H 0.4169 0.4634 0.9051 0.075 Uiso 1 1 calc R . .
C119 C 0.4520(3) 0.4534(4) 0.8593(6) 0.080(4) Uani 1 1 d U C .
H11M H 0.4686 0.4629 0.8336 0.096 Uiso 1 1 calc R . .
H11N H 0.4582 0.4647 0.8934 0.096 Uiso 1 1 calc R . .
C120 C 0.4448(3) 0.4228(4) 0.8689(6) 0.081(4) Uani 1 1 d U . .
H12C H 0.4359 0.4109 0.8362 0.097 Uiso 1 1 calc R B 1
H12D H 0.4301 0.4142 0.8983 0.097 Uiso 1 1 calc R B 1
C121 C 0.4744(4) 0.4219(4) 0.8851(8) 0.065(6) Uani 0.78(3) 1 d PU C 1
H12E H 0.4885 0.4290 0.8548 0.078 Uiso 0.78(3) 1 calc PR C 1
H12F H 0.4840 0.4347 0.9165 0.078 Uiso 0.78(3) 1 calc PR C 1
C122 C 0.4652(4) 0.3899(5) 0.8984(9) 0.075(7) Uani 0.78(3) 1 d PU C 1
H12G H 0.4532 0.3768 0.8688 0.091 Uiso 0.78(3) 1 calc PR C 1
H12H H 0.4531 0.3837 0.9315 0.091 Uiso 0.78(3) 1 calc PR C 1
C268 C 0.4596(11) 0.4008(11) 0.866(2) 0.032(16) Uani 0.22(3) 1 d PU C 2
H26W H 0.4443 0.3798 0.8709 0.039 Uiso 0.22(3) 1 calc PR C 2
H26X H 0.4697 0.4030 0.8313 0.039 Uiso 0.22(3) 1 calc PR C 2
C269 C 0.4818(10) 0.4120(10) 0.9133(18) 0.020(14) Uani 0.22(3) 1 d PU C 2
H26Y H 0.4720 0.4101 0.9483 0.025 Uiso 0.22(3) 1 calc PR C 2
H26Z H 0.4978 0.4326 0.9081 0.025 Uiso 0.22(3) 1 calc PR C 2
C149 C 0.6068(6) 0.2923(7) 0.8630(13) 0.084(9) Uani 0.561(19) 1 d PU D 1
H14Q H 0.6205 0.3098 0.8813 0.101 Uiso 0.561(19) 1 calc PR D 1
C150 C 0.6107(7) 0.2684(7) 0.8579(13) 0.095(10) Uani 0.561(19) 1 d PU D 1
H15B H 0.6292 0.2704 0.8680 0.114 Uiso 0.561(19) 1 calc PR D 1
C151 C 0.5883(6) 0.2406(6) 0.8383(12) 0.070(8) Uani 0.561(19) 1 d PU D 1
H15D H 0.5908 0.2239 0.8423 0.084 Uiso 0.561(19) 1 calc PR D 1
C265 C 0.6121(7) 0.2943(7) 0.8178(14) 0.066(9) Uani 0.439(19) 1 d PU D 2
H26E H 0.6278 0.3142 0.8164 0.079 Uiso 0.439(19) 1 calc PR D 2
C266 C 0.6184(7) 0.2740(7) 0.8039(13) 0.066(9) Uani 0.439(19) 1 d PU D 2
H26F H 0.6384 0.2795 0.7984 0.079 Uiso 0.439(19) 1 calc PR D 2
C267 C 0.5957(6) 0.2432(6) 0.7967(13) 0.055(8) Uani 0.439(19) 1 d PU D 2
H26G H 0.5996 0.2285 0.7837 0.065 Uiso 0.439(19) 1 calc PR D 2
C123 C 0.4936(4) 0.3877(4) 0.9065(7) 0.098(5) Uani 1 1 d U . .
H12I H 0.4973 0.3763 0.8814 0.117 Uiso 1 1 calc R C 1
C124 C 0.5156(3) 0.4022(4) 0.9515(6) 0.085(5) Uani 1 1 d U C .
H12J H 0.5050 0.4027 0.9841 0.102 Uiso 1 1 calc R . .
H12K H 0.5297 0.4228 0.9414 0.102 Uiso 1 1 calc R . .
C125 C 0.5617(3) 0.4011(3) 0.9601(5) 0.060(3) Uani 1 1 d U . .
H12L H 0.5702 0.4209 0.9481 0.072 Uiso 1 1 calc R . .
C126 C 0.5825(3) 0.3911(3) 0.9711(6) 0.065(4) Uani 1 1 d U . .
C127 C 0.6111(5) 0.4121(5) 0.9577(9) 0.138(8) Uani 1 1 d U . .
H12M H 0.6156 0.4312 0.9468 0.166 Uiso 1 1 calc R . .
C128 C 0.6341(7) 0.4047(7) 0.9604(12) 0.185(11) Uani 1 1 d U . .
H12O H 0.6541 0.4187 0.9535 0.222 Uiso 1 1 calc R . .
C129 C 0.6247(6) 0.3740(6) 0.9745(11) 0.163(9) Uani 1 1 d U A .
H12Q H 0.6394 0.3684 0.9751 0.195 Uiso 1 1 calc R . .
C130 C 0.5974(4) 0.3535(4) 0.9864(7) 0.091(5) Uani 1 1 d U . .
C131 C 0.5755(3) 0.3618(3) 0.9853(5) 0.061(3) Uani 1 1 d U A .
C132 C 0.6117(5) 0.3167(5) 1.0036(10) 0.152(8) Uani 1 1 d U . .
H13C H 0.6313 0.3344 1.0022 0.227 Uiso 1 1 calc R A .
H13D H 0.6096 0.3036 0.9737 0.227 Uiso 1 1 calc R . .
H13E H 0.6095 0.3064 1.0377 0.227 Uiso 1 1 calc R . .
C133 C 0.4356(3) 0.5178(3) 0.7543(6) 0.066(4) Uani 1 1 d U . .
H13F H 0.4495 0.5386 0.7463 0.098 Uiso 1 1 calc R . .
H13G H 0.4330 0.5152 0.7932 0.098 Uiso 1 1 calc R . .
H13H H 0.4165 0.5120 0.7376 0.098 Uiso 1 1 calc R . .
C134 C 0.4773(3) 0.5102(3) 0.7364(5) 0.058(3) Uani 1 1 d U . .
C135 C 0.4983(3) 0.5403(3) 0.7422(6) 0.071(4) Uani 1 1 d U . .
H13I H 0.4923 0.5546 0.7443 0.086 Uiso 1 1 calc R . .
C136 C 0.5296(3) 0.5493(3) 0.7447(6) 0.074(4) Uani 1 1 d U . .
H13J H 0.5440 0.5694 0.7505 0.089 Uiso 1 1 calc R . .
C137 C 0.5379(3) 0.5284(3) 0.7385(6) 0.071(4) Uani 1 1 d U . .
H13K H 0.5583 0.5343 0.7396 0.086 Uiso 1 1 calc R . .
C138 C 0.5166(3) 0.4978(3) 0.7305(5) 0.061(3) Uani 1 1 d U . .
C139 C 0.4869(3) 0.4885(3) 0.7301(5) 0.053(3) Uani 1 1 d U . .
C140 C 0.5293(3) 0.4778(3) 0.7221(5) 0.060(3) Uani 1 1 d U . .
H14C H 0.5497 0.4860 0.7297 0.072 Uiso 1 1 calc R . .
C141 C 0.5334(2) 0.4360(2) 0.7016(4) 0.045(3) Uani 1 1 d U . .
H14D H 0.5533 0.4507 0.6888 0.054 Uiso 1 1 calc R . .
H14E H 0.5246 0.4199 0.6747 0.054 Uiso 1 1 calc R . .
C142 C 0.5362(3) 0.4233(3) 0.7548(5) 0.051(3) Uani 1 1 d U . .
H14F H 0.5167 0.4133 0.7729 0.061 Uiso 1 1 calc R . .
H14G H 0.5501 0.4396 0.7783 0.061 Uiso 1 1 calc R . .
C143 C 0.5476(2) 0.4003(2) 0.7462(4) 0.045(3) Uani 1 1 d U . .
H14H H 0.5332 0.3837 0.7239 0.054 Uiso 1 1 calc R . .
H14I H 0.5666 0.4102 0.7264 0.054 Uiso 1 1 calc R . .
C144 C 0.5523(3) 0.3876(3) 0.8010(5) 0.053(3) Uani 1 1 d U . .
H14J H 0.5704 0.4031 0.8184 0.063 Uiso 1 1 calc R . .
H14K H 0.5355 0.3831 0.8252 0.063 Uiso 1 1 calc R . .
C145 C 0.5546(3) 0.3603(3) 0.7946(5) 0.057(3) Uani 1 1 d U . .
H14L H 0.5716 0.3647 0.7710 0.069 Uiso 1 1 calc R . .
H14M H 0.5366 0.3447 0.7769 0.069 Uiso 1 1 calc R . .
C146 C 0.5588(3) 0.3484(3) 0.8495(5) 0.053(3) Uani 1 1 d U . .
H14N H 0.5791 0.3616 0.8628 0.064 Uiso 1 1 calc R . .
H14O H 0.5449 0.3488 0.8760 0.064 Uiso 1 1 calc R . .
C147 C 0.5778(3) 0.3152(3) 0.8446(6) 0.081(4) Uani 1 1 d U D .
H14P H 0.5960 0.3329 0.8497 0.098 Uiso 1 1 calc R . .
C148 C 0.5794(3) 0.2889(3) 0.8375(7) 0.087(5) Uani 1 1 d U . .
C152 C 0.5629(3) 0.2370(3) 0.8134(7) 0.090(5) Uani 1 1 d U . .
C153 C 0.5569(3) 0.2612(3) 0.8225(6) 0.067(4) Uani 1 1 d U D .
C154 C 0.5396(3) 0.1835(3) 0.7990(6) 0.078(4) Uani 1 1 d U . .
H15F H 0.5508 0.1840 0.8309 0.118 Uiso 1 1 calc R D .
H15G H 0.5496 0.1820 0.7669 0.118 Uiso 1 1 calc R . .
H15H H 0.5197 0.1664 0.8010 0.118 Uiso 1 1 calc R . .
C155 C 0.4858(3) 0.4985(3) 0.6039(6) 0.079(4) Uani 1 1 d U . .
H15I H 0.4891 0.5051 0.5664 0.118 Uiso 1 1 calc R . .
H15J H 0.4992 0.5149 0.6272 0.118 Uiso 1 1 calc R . .
H15K H 0.4654 0.4920 0.6139 0.118 Uiso 1 1 calc R . .
C156 C 0.5170(3) 0.4765(3) 0.5847(5) 0.055(3) Uani 1 1 d U . .
C157 C 0.5394(3) 0.5028(3) 0.5662(6) 0.080(4) Uani 1 1 d U . .
H15L H 0.5383 0.5203 0.5685 0.096 Uiso 1 1 calc R . .
C158 C 0.5651(4) 0.5033(4) 0.5430(6) 0.090(5) Uani 1 1 d U . .
H15M H 0.5816 0.5216 0.5327 0.108 Uiso 1 1 calc R . .
C159 C 0.5656(3) 0.4775(3) 0.5356(5) 0.063(3) Uani 1 1 d U . .
H15N H 0.5822 0.4783 0.5185 0.075 Uiso 1 1 calc R . .
C160 C 0.5416(3) 0.4490(3) 0.5534(5) 0.060(3) Uani 1 1 d U . .
C161 C 0.5168(3) 0.4493(2) 0.5773(4) 0.049(3) Uani 1 1 d U . .
C162 C 0.5439(3) 0.4226(3) 0.5448(5) 0.051(3) Uani 1 1 d U . .
H16A H 0.5622 0.4263 0.5300 0.061 Uiso 1 1 calc R . .
C163 C 0.5358(2) 0.3738(2) 0.5473(4) 0.041(3) Uani 1 1 d U . .
H16B H 0.5552 0.3833 0.5292 0.049 Uiso 1 1 calc R . .
H16C H 0.5216 0.3573 0.5244 0.049 Uiso 1 1 calc R . .
C164 C 0.5382(3) 0.3619(3) 0.6019(5) 0.050(3) Uani 1 1 d U . .
H16D H 0.5205 0.3570 0.6236 0.060 Uiso 1 1 calc R . .
H16E H 0.5557 0.3772 0.6212 0.060 Uiso 1 1 calc R . .
C165 C 0.5410(3) 0.3334(3) 0.5948(5) 0.050(3) Uani 1 1 d U . .
H16F H 0.5566 0.3374 0.5681 0.060 Uiso 1 1 calc R . .
H16G H 0.5222 0.3171 0.5809 0.060 Uiso 1 1 calc R . .
C166 C 0.5489(3) 0.3236(3) 0.6497(5) 0.053(3) Uani 1 1 d U . .
H16H H 0.5699 0.3371 0.6584 0.063 Uiso 1 1 calc R . .
H16I H 0.5368 0.3250 0.6790 0.063 Uiso 1 1 calc R . .
C167 C 0.5428(3) 0.2913(3) 0.6456(5) 0.058(3) Uani 1 1 d U . .
H16J H 0.5550 0.2901 0.6165 0.069 Uiso 1 1 calc R . .
H16K H 0.5218 0.2780 0.6363 0.069 Uiso 1 1 calc R . .
C168 C 0.5499(3) 0.2809(2) 0.6995(5) 0.052(3) Uani 1 1 d U . .
H16L H 0.5715 0.2910 0.7045 0.062 Uiso 1 1 calc R . .
H16M H 0.5415 0.2866 0.7298 0.062 Uiso 1 1 calc R . .
C169 C 0.5533(3) 0.2396(3) 0.6731(6) 0.064(4) Uani 1 1 d U . .
H16N H 0.5716 0.2547 0.6597 0.077 Uiso 1 1 calc R . .
C170 C 0.5454(3) 0.2086(3) 0.6607(5) 0.059(3) Uani 1 1 d U . .
C171 C 0.5672(3) 0.2049(4) 0.6338(6) 0.076(4) Uani 1 1 d U . .
H17B H 0.5853 0.2218 0.6240 0.092 Uiso 1 1 calc R . .
C172 C 0.5626(3) 0.1767(3) 0.6212(6) 0.077(4) Uani 1 1 d U . .
H17C H 0.5775 0.1746 0.6034 0.092 Uiso 1 1 calc R . .
C173 C 0.5352(3) 0.1511(3) 0.6357(6) 0.067(4) Uani 1 1 d U . .
H17D H 0.5316 0.1320 0.6266 0.081 Uiso 1 1 calc R . .
C174 C 0.5133(3) 0.1544(3) 0.6638(6) 0.061(3) Uani 1 1 d U . .
C175 C 0.5181(3) 0.1832(3) 0.6760(5) 0.053(3) Uani 1 1 d U . .
C176 C 0.4791(3) 0.1010(3) 0.6608(6) 0.078(4) Uani 1 1 d U . .
H17E H 0.4970 0.0997 0.6607 0.117 Uiso 1 1 calc R . .
H17F H 0.4709 0.0976 0.6244 0.117 Uiso 1 1 calc R . .
H17G H 0.4646 0.0861 0.6851 0.117 Uiso 1 1 calc R . .
C177 C 0.5505(3) 0.4498(3) 0.3888(6) 0.066(4) Uani 1 1 d U . .
H17H H 0.5632 0.4590 0.4200 0.099 Uiso 1 1 calc R . .
H17I H 0.5353 0.4555 0.3876 0.099 Uiso 1 1 calc R . .
H17J H 0.5623 0.4564 0.3559 0.099 Uiso 1 1 calc R . .
C178 C 0.5534(3) 0.4043(3) 0.4050(5) 0.056(3) Uani 1 1 d U . .
C179 C 0.5842(3) 0.4203(3) 0.4100(5) 0.058(3) Uani 1 1 d U . .
H17K H 0.5948 0.4411 0.4066 0.069 Uiso 1 1 calc R . .
C180 C 0.5988(3) 0.4047(3) 0.4202(6) 0.071(4) Uani 1 1 d U . .
H18B H 0.6196 0.4152 0.4250 0.086 Uiso 1 1 calc R . .
C181 C 0.5837(3) 0.3740(3) 0.4236(6) 0.074(4) Uani 1 1 d U . .
H18C H 0.5943 0.3638 0.4287 0.089 Uiso 1 1 calc R . .
C182 C 0.5514(3) 0.3572(3) 0.4193(5) 0.050(3) Uani 1 1 d U . .
C183 C 0.5366(2) 0.3725(2) 0.4104(4) 0.040(3) Uani 1 1 d U . .
C184 C 0.5379(3) 0.3244(3) 0.4266(5) 0.054(3) Uani 1 1 d U . .
H18D H 0.5513 0.3172 0.4285 0.064 Uiso 1 1 calc R . .
C185 C 0.5020(3) 0.2740(2) 0.4417(4) 0.048(3) Uani 1 1 d U . .
H18E H 0.5198 0.2721 0.4390 0.058 Uiso 1 1 calc R . .
H18F H 0.4875 0.2608 0.4147 0.058 Uiso 1 1 calc R . .
C186 C 0.4885(3) 0.2649(3) 0.4987(5) 0.060(3) Uani 1 1 d U . .
H18G H 0.4735 0.2710 0.5033 0.072 Uiso 1 1 calc R . .
H18H H 0.5043 0.2759 0.5253 0.072 Uiso 1 1 calc R . .
C187 C 0.4739(3) 0.2312(2) 0.5112(4) 0.050(3) Uani 1 1 d U . .
H18I H 0.4566 0.2201 0.4874 0.060 Uiso 1 1 calc R . .
H18J H 0.4881 0.2245 0.5039 0.060 Uiso 1 1 calc R . .
C188 C 0.4639(3) 0.2249(3) 0.5704(5) 0.059(3) Uani 1 1 d U . .
H18K H 0.4525 0.2348 0.5791 0.071 Uiso 1 1 calc R . .
H18L H 0.4815 0.2334 0.5938 0.071 Uiso 1 1 calc R . .
C189 C 0.4444(3) 0.1913(3) 0.5830(5) 0.055(3) Uani 1 1 d U . .
H18M H 0.4373 0.1888 0.6205 0.067 Uiso 1 1 calc R . .
H18N H 0.4270 0.1825 0.5590 0.067 Uiso 1 1 calc R . .
C190 C 0.4615(3) 0.1747(3) 0.5755(5) 0.061(3) Uani 1 1 d U . .
H19B H 0.4633 0.1715 0.5368 0.073 Uiso 1 1 calc R . .
H19C H 0.4816 0.1864 0.5906 0.073 Uiso 1 1 calc R . .
C191 C 0.4314(3) 0.1219(3) 0.5745(6) 0.066(4) Uani 1 1 d U . .
H19D H 0.4346 0.1253 0.5371 0.079 Uiso 1 1 calc R . .
C192 C 0.4114(3) 0.0902(3) 0.5906(5) 0.056(3) Uani 1 1 d U . .
C193 C 0.3990(3) 0.0694(3) 0.5471(6) 0.076(4) Uani 1 1 d U . .
H19E H 0.4048 0.0761 0.5113 0.091 Uiso 1 1 calc R . .
C194 C 0.3783(4) 0.0395(3) 0.5564(7) 0.082(4) Uani 1 1 d U . .
H19F H 0.3715 0.0258 0.5276 0.099 Uiso 1 1 calc R . .
C195 C 0.3683(4) 0.0305(3) 0.6064(7) 0.084(4) Uani 1 1 d U . .
H19G H 0.3532 0.0108 0.6124 0.101 Uiso 1 1 calc R . .
C196 C 0.3803(3) 0.0504(3) 0.6507(6) 0.066(4) Uani 1 1 d U . .
C197 C 0.4024(3) 0.0805(3) 0.6434(5) 0.053(3) Uani 1 1 d U . .
C198 C 0.3474(4) 0.0127(4) 0.7176(8) 0.109(6) Uani 1 1 d U . .
H19H H 0.3295 0.0097 0.6998 0.164 Uiso 1 1 calc R . .
H19I H 0.3443 0.0108 0.7565 0.164 Uiso 1 1 calc R . .
H19J H 0.3522 -0.0021 0.7050 0.164 Uiso 1 1 calc R . .
C199 C 0.3767(2) 0.2129(3) 0.6066(4) 0.045(3) Uani 1 1 d U . .
H19K H 0.3974 0.2181 0.6017 0.068 Uiso 1 1 calc R . .
H19L H 0.3648 0.1919 0.6149 0.068 Uiso 1 1 calc R . .
H19M H 0.3754 0.2245 0.6363 0.068 Uiso 1 1 calc R . .
C200 C 0.3653(2) 0.2197(2) 0.5550(4) 0.031(2) Uani 1 1 d U . .
C201 C 0.3731(5) 0.3204(5) 0.4747(9) 0.167(9) Uani 1 1 d DU . .
H20A H 0.3932 0.3255 0.4653 0.251 Uiso 1 1 calc R . .
H20B H 0.3736 0.3323 0.5055 0.251 Uiso 1 1 calc R . .
H20C H 0.3639 0.3245 0.4441 0.251 Uiso 1 1 calc R . .
C202 C 0.3553(4) 0.2881(3) 0.4890(6) 0.080(4) Uani 1 1 d U . .
C203 C 0.3228(3) 0.2692(3) 0.3555(6) 0.070(4) Uani 1 1 d U . .
H20D H 0.3388 0.2758 0.3818 0.105 Uiso 1 1 calc R . .
H20E H 0.3262 0.2859 0.3328 0.105 Uiso 1 1 calc R . .
H20F H 0.3223 0.2536 0.3333 0.105 Uiso 1 1 calc R . .
C204 C 0.2933(3) 0.2574(3) 0.3850(4) 0.053(3) Uani 1 1 d U . .
C205 C 0.3177(2) 0.2538(3) 0.6300(4) 0.050(3) Uani 1 1 d U . .
H20G H 0.3298 0.2479 0.6096 0.076 Uiso 1 1 calc R . .
H20H H 0.3157 0.2469 0.6671 0.076 Uiso 1 1 calc R . .
H20I H 0.3270 0.2754 0.6298 0.076 Uiso 1 1 calc R . .
C206 C 0.2863(2) 0.2401(2) 0.6037(4) 0.043(3) Uani 1 1 d U . .
C207 C 0.2650(4) 0.3077(3) 0.4827(6) 0.085(4) Uani 1 1 d U . .
H20J H 0.2730 0.3272 0.4991 0.128 Uiso 1 1 calc R . .
H20K H 0.2480 0.3037 0.4601 0.128 Uiso 1 1 calc R . .
H20L H 0.2802 0.3071 0.4607 0.128 Uiso 1 1 calc R . .
C208 C 0.2552(2) 0.2846(2) 0.5262(4) 0.041(3) Uani 1 1 d U . .
C209 C 0.3130(3) 0.2639(2) 0.7930(5) 0.047(3) Uani 1 1 d U . .
H20M H 0.2987 0.2435 0.7835 0.071 Uiso 1 1 calc R . .
H20N H 0.3125 0.2666 0.8318 0.071 Uiso 1 1 calc R . .
H20O H 0.3328 0.2683 0.7824 0.071 Uiso 1 1 calc R . .
C210 C 0.3053(2) 0.2846(2) 0.7641(4) 0.042(3) Uani 1 1 d U . .
C211 C 0.3912(3) 0.3491(3) 0.7235(6) 0.069(4) Uani 1 1 d U . .
H21A H 0.3705 0.3342 0.7288 0.104 Uiso 1 1 calc R . .
H21B H 0.4033 0.3463 0.7503 0.104 Uiso 1 1 calc R . .
H21C H 0.3974 0.3469 0.6874 0.104 Uiso 1 1 calc R . .
C212 C 0.3951(3) 0.3797(3) 0.7294(5) 0.060(3) Uani 1 1 d U . .
C213 C 0.2860(3) 0.3726(3) 0.6010(6) 0.082(4) Uani 1 1 d U . .
H21D H 0.2815 0.3537 0.6168 0.122 Uiso 1 1 calc R . .
H21E H 0.2917 0.3733 0.5634 0.122 Uiso 1 1 calc R . .
H21F H 0.2685 0.3748 0.6029 0.122 Uiso 1 1 calc R . .
C214 C 0.3115(3) 0.3979(3) 0.6322(6) 0.073(4) Uani 1 1 d U . .
C215 C 0.3882(4) 0.4315(4) 0.5664(7) 0.114(6) Uani 1 1 d U . .
H21G H 0.3976 0.4269 0.5370 0.170 Uiso 1 1 calc R . .
H21H H 0.3867 0.4489 0.5569 0.170 Uiso 1 1 calc R . .
H21I H 0.3684 0.4147 0.5726 0.170 Uiso 1 1 calc R . .
C216 C 0.4078(3) 0.4383(3) 0.6205(5) 0.069(4) Uani 1 1 d U . .
C217 C 0.4644(3) 0.3457(2) 0.7470(4) 0.047(3) Uani 1 1 d U . .
H21J H 0.4654 0.3282 0.7366 0.070 Uiso 1 1 calc R . .
H21K H 0.4451 0.3397 0.7628 0.070 Uiso 1 1 calc R . .
H21L H 0.4799 0.3571 0.7735 0.070 Uiso 1 1 calc R . .
C218 C 0.4691(2) 0.3651(2) 0.6970(4) 0.039(2) Uani 1 1 d U . .
C219 C 0.4219(3) 0.2972(3) 0.5770(4) 0.053(3) Uani 1 1 d U . .
H21M H 0.4310 0.3129 0.6039 0.079 Uiso 1 1 calc R . .
H21N H 0.4206 0.2791 0.5911 0.079 Uiso 1 1 calc R . .
H21O H 0.4021 0.2935 0.5686 0.079 Uiso 1 1 calc R . .
C220 C 0.4407(2) 0.3067(2) 0.5260(4) 0.041(3) Uani 1 1 d U . .
C221 C 0.4540(4) 0.4258(4) 0.4888(7) 0.094(5) Uani 1 1 d U . .
H22D H 0.4521 0.4190 0.5260 0.141 Uiso 1 1 calc R . .
H22E H 0.4346 0.4211 0.4751 0.141 Uiso 1 1 calc R . .
H22F H 0.4674 0.4472 0.4876 0.141 Uiso 1 1 calc R . .
C222 C 0.4667(3) 0.4103(3) 0.4537(5) 0.056(3) Uani 1 1 d U . .
C223 C 0.4075(3) 0.3417(3) 0.3480(6) 0.071(4) Uani 1 1 d U . .
H22G H 0.3863 0.3298 0.3409 0.106 Uiso 1 1 calc R . .
H22H H 0.4181 0.3491 0.3140 0.106 Uiso 1 1 calc R . .
H22I H 0.4113 0.3584 0.3710 0.106 Uiso 1 1 calc R . .
C224 C 0.4181(2) 0.3228(2) 0.3760(4) 0.039(3) Uani 1 1 d U . .
C235 C 0.4658(3) 0.2806(3) 0.6894(5) 0.059(3) Uani 1 1 d U . .
H23D H 0.4607 0.2664 0.6600 0.089 Uiso 1 1 calc R . .
H23E H 0.4789 0.3006 0.6758 0.089 Uiso 1 1 calc R . .
H23F H 0.4478 0.2793 0.7038 0.089 Uiso 1 1 calc R . .
C236 C 0.4817(2) 0.2735(2) 0.7341(4) 0.043(3) Uani 1 1 d U . .
C237 C 0.4405(3) 0.2857(3) 0.8717(5) 0.070(4) Uani 1 1 d U . .
H23G H 0.4484 0.2794 0.8421 0.105 Uiso 1 1 calc R . .
H23H H 0.4333 0.2984 0.8576 0.105 Uiso 1 1 calc R . .
H23I H 0.4243 0.2684 0.8888 0.105 Uiso 1 1 calc R . .
C238 C 0.4644(3) 0.3025(3) 0.9121(4) 0.049(3) Uani 1 1 d U . .
C239 C 0.5164(5) 0.2213(5) 0.9382(9) 0.144(8) Uani 1 1 d U A .
H23J H 0.5136 0.2233 0.8999 0.215 Uiso 1 1 calc R . .
H23K H 0.4983 0.2049 0.9532 0.215 Uiso 1 1 calc R . .
H23L H 0.5327 0.2173 0.9429 0.215 Uiso 1 1 calc R . .
C240 C 0.5237(4) 0.2497(4) 0.9670(7) 0.096(5) Uani 1 1 d U . .
C241 C 0.3821(3) 0.3145(3) 0.8651(5) 0.062(3) Uani 1 1 d U . .
H24A H 0.3636 0.3029 0.8455 0.093 Uiso 1 1 calc R . .
H24B H 0.3985 0.3157 0.8440 0.093 Uiso 1 1 calc R . .
H24C H 0.3855 0.3345 0.8711 0.093 Uiso 1 1 calc R . .
C242 C 0.3804(2) 0.2998(2) 0.9195(4) 0.045(3) Uani 1 1 d U . .
C243 C 0.4212(4) 0.2285(4) 0.9775(7) 0.101(5) Uani 1 1 d U . .
H24D H 0.4340 0.2420 0.9495 0.151 Uiso 1 1 calc R . .
H24E H 0.4134 0.2081 0.9658 0.151 Uiso 1 1 calc R . .
H24F H 0.4326 0.2319 1.0106 0.151 Uiso 1 1 calc R . .
C244 C 0.3960(3) 0.2341(3) 0.9878(5) 0.059(3) Uani 1 1 d U . .
C245 C 0.4696(4) 0.2571(4) 1.1097(7) 0.094(5) Uani 1 1 d U A .
H24G H 0.4505 0.2460 1.1277 0.141 Uiso 1 1 calc R . .
H24H H 0.4851 0.2675 1.1365 0.141 Uiso 1 1 calc R . .
H24I H 0.4736 0.2434 1.0896 0.141 Uiso 1 1 calc R . .
C246 C 0.4689(3) 0.2796(3) 1.0706(6) 0.076(4) Uani 1 1 d U . .
C247 C 0.3745(3) 0.2249(3) 1.1319(5) 0.061(3) Uani 1 1 d U . .
H24J H 0.3797 0.2450 1.1220 0.091 Uiso 1 1 calc R . .
H24K H 0.3873 0.2194 1.1127 0.091 Uiso 1 1 calc R . .
H24L H 0.3771 0.2240 1.1707 0.091 Uiso 1 1 calc R . .
C248 C 0.3423(3) 0.2036(3) 1.1169(5) 0.056(3) Uani 1 1 d U . .
C249 C 0.3425(3) 0.2119(3) 0.8721(5) 0.053(3) Uani 1 1 d U . .
H24M H 0.3422 0.1991 0.8432 0.079 Uiso 1 1 calc R . .
H24N H 0.3605 0.2188 0.8934 0.079 Uiso 1 1 calc R . .
H24O H 0.3420 0.2288 0.8568 0.079 Uiso 1 1 calc R . .
C250 C 0.3153(2) 0.1944(2) 0.9085(4) 0.044(3) Uani 1 1 d U . .
C251 C 0.3146(4) 0.1161(4) 1.0440(7) 0.099(5) Uani 1 1 d U . .
H25B H 0.3133 0.1244 1.0785 0.149 Uiso 1 1 calc R . .
H25C H 0.3353 0.1237 1.0348 0.149 Uiso 1 1 calc R . .
H25D H 0.3044 0.0946 1.0466 0.149 Uiso 1 1 calc R . .
C252 C 0.2996(3) 0.1253(3) 0.9994(5) 0.058(3) Uani 1 1 d U . .
C253 C 0.3192(3) 0.1901(3) 0.7177(5) 0.056(3) Uani 1 1 d U . .
H25E H 0.3341 0.1977 0.6893 0.083 Uiso 1 1 calc R . .
H25F H 0.3235 0.2058 0.7436 0.083 Uiso 1 1 calc R . .
H25G H 0.2997 0.1832 0.7019 0.083 Uiso 1 1 calc R . .
C254 C 0.3196(2) 0.1640(2) 0.7465(4) 0.040(3) Uani 1 1 d U . .
C255 C 0.3718(4) 0.1496(4) 0.9385(6) 0.099(5) Uani 1 1 d U . .
H25H H 0.3582 0.1533 0.9595 0.149 Uiso 1 1 calc R . .
H25I H 0.3920 0.1659 0.9434 0.149 Uiso 1 1 calc R . .
H25J H 0.3705 0.1312 0.9506 0.149 Uiso 1 1 calc R . .
C256 C 0.3632(3) 0.1468(3) 0.8767(6) 0.073(4) Uani 1 1 d U . .
C257 C 0.3395(4) 0.0638(4) 0.8848(7) 0.114(6) Uani 1 1 d U . .
H25K H 0.3224 0.0634 0.8684 0.171 Uiso 1 1 calc R . .
H25L H 0.3477 0.0790 0.9126 0.171 Uiso 1 1 calc R . .
H25M H 0.3335 0.0445 0.9009 0.171 Uiso 1 1 calc R . .
C258 C 0.3621(4) 0.0703(4) 0.8432(7) 0.088(5) Uani 1 1 d U . .
C259 C 0.4449(4) 0.1369(4) 0.8793(7) 0.120(6) Uani 1 1 d U . .
H25N H 0.4569 0.1523 0.9053 0.180 Uiso 1 1 calc R . .
H25O H 0.4467 0.1194 0.8864 0.180 Uiso 1 1 calc R . .
H25P H 0.4242 0.1316 0.8827 0.180 Uiso 1 1 calc R . .
C260 C 0.4558(3) 0.1481(3) 0.8221(5) 0.069(4) Uani 1 1 d U . .
C261 C 0.4088(3) 0.2013(3) 0.7514(6) 0.064(3) Uani 1 1 d U . .
H26B H 0.3873 0.1918 0.7536 0.095 Uiso 1 1 calc R . .
H26C H 0.4162 0.2173 0.7249 0.095 Uiso 1 1 calc R . .
H26D H 0.4174 0.2094 0.7866 0.095 Uiso 1 1 calc R . .
C262 C 0.4175(3) 0.1785(2) 0.7346(5) 0.049(3) Uani 1 1 d U . .
C263 C 0.3301(5) 0.3402(5) 0.5559(6) 0.150 Uiso 1 1 d D . .
H26M H 0.3211 0.3199 0.5424 0.225 Uiso 1 1 calc R . .
H26N H 0.3498 0.3520 0.5405 0.225 Uiso 1 1 calc R . .
H26O H 0.3178 0.3487 0.5456 0.225 Uiso 1 1 calc R . .
C264 C 0.3324(4) 0.3401(2) 0.6183(5) 0.150 Uiso 1 1 d D . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O37 2.223(6) . ?
Eu1 O2 2.255(7) . ?
Eu1 O6 2.270(6) . ?
Eu1 O62 2.322(7) . ?
Eu1 O39 2.334(8) . ?
Eu1 O58 2.346(7) . ?
Eu1 N1 2.482(8) . ?
Eu1 O5 2.557(6) . ?
Eu1 C29 3.203(10) . ?
Eu1 Cd3 3.6641(11) . ?
Eu1 Cd5 3.7638(10) . ?
Eu2 O47 2.228(7) . ?
Eu2 O14 2.231(7) . ?
Eu2 O18 2.269(7) . ?
Eu2 O46 2.312(7) . ?
Eu2 O44 2.344(7) . ?
Eu2 N7 2.492(8) . ?
Eu2 O17 2.548(7) . ?
Eu2 O91 2.609(10) . ?
Eu2 C95 3.204(10) . ?
Eu2 Cd7 3.6425(10) . ?
Eu2 Cd8 3.7076(11) . ?
Eu3 O55 2.208(7) . ?
Eu3 O26 2.214(7) . ?
Eu3 O30 2.252(7) . ?
Eu3 O54 2.318(8) . ?
Eu3 O50 2.336(7) . ?
Eu3 N13 2.503(9) . ?
Eu3 O29 2.552(8) . ?
Eu3 Cl7 2.803(8) . ?
Eu3 C161 3.209(11) . ?
Eu3 Cd1 3.5990(11) . ?
Eu3 Cd2 3.7341(10) . ?
Eu4 O63 2.199(7) . ?
Eu4 O31 2.241(8) . ?
Eu4 O27 2.252(7) . ?
Eu4 O87 2.280(8) . ?
Eu4 O89 2.335(7) . ?
Eu4 N16 2.495(10) . ?
Eu4 O28 2.564(8) . ?
Eu4 Cl5 2.847(5) . ?
Eu4 C153 3.212(13) . ?
Eu4 Cd14 3.6001(11) . ?
Eu4 Cd13 3.6991(11) . ?
Eu5 O83 2.255(7) . ?
Eu5 O7 2.257(7) . ?
Eu5 O3 2.272(7) . ?
Eu5 O81 2.319(8) . ?
Eu5 O74 2.344(7) . ?
Eu5 O78 2.354(7) . ?
Eu5 O4 2.511(7) . ?
Eu5 N4 2.518(9) . ?
Eu5 C21 3.199(10) . ?
Eu5 Cd16 3.6171(10) . ?
Eu5 Cd15 3.7987(11) . ?
Eu6 O19 2.229(8) . ?
Eu6 O69 2.236(7) . ?
Eu6 O15 2.255(8) . ?
Eu6 O68 2.283(8) . ?
Eu6 O71 2.292(8) . ?
Eu6 O79 2.353(7) . ?
Eu6 N10 2.476(9) . ?
Eu6 O16 2.535(7) . ?
Eu6 C87 3.184(10) . ?
Eu6 Cd12 3.6263(12) . ?
Eu6 Cd18 3.7119(11) . ?
Cd16 O11 2.240(7) . ?
Cd16 O77 2.243(7) . ?
Cd16 N6 2.244(9) . ?
Cd16 O74 2.270(7) . ?
Cd16 O7 2.329(7) . ?
Cd16 O8 2.607(7) . ?
Cd7 O10 2.244(7) . ?
Cd7 O45 2.270(7) . ?
Cd7 N5 2.285(9) . ?
Cd7 O44 2.287(7) . ?
Cd7 O14 2.333(6) . ?
Cd7 O13 2.543(7) . ?
Cd3 N17 2.259(9) . ?
Cd3 O34 2.261(7) . ?
Cd3 O61 2.263(7) . ?
Cd3 O58 2.283(7) . ?
Cd3 O2 2.334(7) . ?
Cd3 O1 2.533(7) . ?
Cd2 O30 2.286(7) . ?
Cd2 N15 2.300(8) . ?
Cd2 O56 2.316(7) . ?
Cd2 O57 2.346(7) . ?
Cd2 O59 2.410(8) . ?
Cd2 Cl7 2.594(6) . ?
Cd6 O10 2.272(7) . ?
Cd6 O45 2.281(7) . ?
Cd6 O42 2.313(8) . ?
Cd6 O41 2.355(8) . ?
Cd6 O9 2.426(8) . ?
Cd6 Cl2 2.453(3) . ?
Cd6 C204 2.661(12) . ?
Cd5 N3 2.276(8) . ?
Cd5 O40 2.281(10) . ?
Cd5 O38 2.299(7) . ?
Cd5 O6 2.314(6) . ?
Cd5 O43 2.393(7) . ?
Cd5 O41 2.492(8) . ?
Cd5 O39 2.606(7) . ?
Cd15 O82 2.216(10) . ?
Cd15 N2 2.275(8) . ?
Cd15 O84 2.289(7) . ?
Cd15 O3 2.300(7) . ?
Cd15 O90 2.387(8) . ?
Cd15 O85 2.567(10) . ?
Cd4 O60 2.233(8) . ?
Cd4 O34 2.233(8) . ?
Cd4 O61 2.310(7) . ?
Cd4 O33 2.398(8) . ?
Cd4 Cl3 2.441(3) . ?
Cd4 O59 2.555(8) . ?
Cd4 C222 2.740(12) . ?
Cd18 O15 2.315(7) . ?
Cd18 N8 2.335(9) . ?
Cd18 O70 2.345(7) . ?
Cd18 O73 2.368(7) . ?
Cd18 O75 2.394(7) . ?
Cd18 O72 2.436(8) . ?
Cd18 O71 2.470(9) . ?
Cd17 O76 2.233(9) . ?
Cd17 O11 2.268(7) . ?
Cd17 O77 2.302(7) . ?
Cd17 O75 2.412(8) . ?
Cd17 Cl1 2.448(3) . ?
Cd17 O12 2.476(8) . ?
Cd17 C248 2.703(13) . ?
Cd14 N18 2.229(10) . ?
Cd14 O35 2.230(8) . ?
Cd14 O88 2.249(9) . ?
Cd14 O89 2.293(7) . ?
Cd14 O31 2.333(8) . ?
Cd14 O32 2.530(8) . ?
Cd8 O92 2.033(12) . ?
Cd8 N9 2.278(9) . ?
Cd8 O18 2.286(7) . ?
Cd8 O48 2.300(7) . ?
Cd8 O49 2.342(9) . ?
Cd8 O51 2.492(9) . ?
Cd8 O91 2.612(13) . ?
Cd8 C264 2.720(12) . ?
Cd9 O22 2.236(8) . ?
Cd9 O53 2.280(8) . ?
Cd9 O52 2.283(9) . ?
Cd9 O21 2.398(9) . ?
Cd9 O51 2.429(9) . ?
Cd9 Cl4 2.456(3) . ?
Cd9 C214 2.742(14) . ?
Cd13 N14 2.271(9) . ?
Cd13 O80 2.290(8) . ?
Cd13 O27 2.299(8) . ?
Cd13 O64 2.328(8) . ?
Cd13 O65 2.404(10) . ?
Cd13 Cl5 2.550(4) . ?
Cd12 O23 2.220(9) . ?
Cd12 N12 2.268(11) . ?
Cd12 O67 2.288(9) . ?
Cd12 O79 2.297(8) . ?
Cd12 O19 2.312(8) . ?
Cd12 O20 2.509(9) . ?
Cd1 O22 2.236(7) . ?
Cd1 N11 2.251(10) . ?
Cd1 O53 2.256(8) . ?
Cd1 O26 2.297(7) . ?
Cd1 O50 2.301(7) . ?
Cd1 O25 2.513(7) . ?
Cd11 O35 2.233(8) . ?
Cd11 O86 2.272(13) . ?
Cd11 O88 2.300(8) . ?
Cd11 O85 2.357(10) . ?
Cd11 Cl6 2.488(5) . ?
Cd11 O36 2.513(10) . ?
Cd11 C258 2.694(18) . ?
Cd10 O66 2.200(12) . ?
Cd10 O23 2.234(9) . ?
Cd10 O67 2.270(9) . ?
Cd10 Cl8' 2.40(2) . ?
Cd10 O24 2.409(12) . ?
Cd10 Cl8 2.453(17) . ?
Cd10 O65 2.591(10) . ?
N1 C8 1.299(10) . ?
N1 C9 1.473(10) . ?
N2 C15 1.283(10) . ?
N2 C14 1.463(10) . ?
N3 C30 1.257(10) . ?
N3 C31 1.471(10) . ?
N4 C37 1.251(10) . ?
N4 C36 1.512(10) . ?
N5 C52 1.258(11) . ?
N5 C53 1.493(10) . ?
N6 C59 1.276(12) . ?
N6 C58 1.511(9) . ?
N7 C74 1.265(9) . ?
N7 C75 1.494(9) . ?
N8 C81 1.274(11) . ?
N8 C80 1.471(11) . ?
N9 C96 1.259(11) . ?
N9 C97 1.463(11) . ?
N10 C103 1.293(13) . ?
N10 C102 1.511(12) . ?
N11 C118 1.254(13) . ?
N11 C119 1.501(13) . ?
N12 C125 1.298(13) . ?
N12 C124 1.481(15) . ?
N13 C140 1.288(12) . ?
N13 C141 1.461(10) . ?
N14 C147 1.317(15) . ?
N14 C146 1.456(11) . ?
N15 C162 1.242(11) . ?
N15 C163 1.462(10) . ?
N16 C169 1.281(12) . ?
N16 C168 1.471(11) . ?
N17 C184 1.286(12) . ?
N17 C185 1.447(11) . ?
N18 C191 1.266(13) . ?
N18 C190 1.497(12) . ?
O1 C2 1.402(10) . ?
O1 C1 1.437(12) . ?
O2 C7 1.335(10) . ?
O3 C21 1.343(10) . ?
O4 C20 1.426(11) . ?
O4 C22 1.426(11) . ?
O5 C24 1.383(10) . ?
O5 C23 1.435(10) . ?
O6 C29 1.316(9) . ?
O7 C43 1.349(11) . ?
O8 C42 1.390(11) . ?
O8 C44 1.440(12) . ?
O9 C46 1.399(12) . ?
O9 C45 1.405(12) . ?
O10 C51 1.300(11) . ?
O11 C65 1.320(11) . ?
O12 C64 1.382(13) . ?
O12 C66 1.450(13) . ?
O13 C68 1.383(11) . ?
O13 C67 1.401(11) . ?
O14 C73 1.328(10) . ?
O15 C87 1.323(9) . ?
O16 C86 1.373(11) . ?
O16 C88 1.467(11) . ?
O17 C90 1.389(11) . ?
O17 C89 1.450(10) . ?
O18 C95 1.308(10) . ?
O19 C109 1.338(13) . ?
O20 C108 1.382(13) . ?
O20 C110 1.481(15) . ?
O21 C112 1.393(13) . ?
O21 C111 1.472(12) . ?
O22 C117 1.327(12) . ?
O23 C131 1.312(13) . ?
O24 C130 1.337(17) . ?
O24 C132 1.43(2) . ?
O25 C134 1.361(13) . ?
O25 C133 1.438(12) . ?
O26 C139 1.356(12) . ?
O27 C153 1.326(13) . ?
O28 C152 1.390(16) . ?
O28 C154 1.424(12) . ?
O29 C156 1.379(12) . ?
O29 C155 1.470(13) . ?
O30 C161 1.359(11) . ?
O31 C175 1.332(11) . ?
O32 C174 1.354(13) . ?
O32 C176 1.473(12) . ?
O33 C178 1.387(12) . ?
O33 C177 1.434(12) . ?
O34 C183 1.329(10) . ?
O35 C197 1.325(11) . ?
O36 C196 1.377(14) . ?
O36 C198 1.463(16) . ?
O37 C200 1.273(9) . ?
O38 C200 1.246(9) . ?
O39 C202 1.149(16) . ?
O40 C202 1.266(16) . ?
O41 C204 1.267(11) . ?
O42 C204 1.252(12) . ?
O43 C206 1.221(10) . ?
O44 C206 1.288(10) . ?
O45 C208 1.254(10) . ?
O46 C208 1.249(10) . ?
O47 C210 1.271(10) . ?
O48 C210 1.246(10) . ?
O49 C212 1.247(12) . ?
O50 C212 1.283(13) . ?
O51 C214 1.250(13) . ?
O52 C214 1.291(14) . ?
O53 C216 1.264(14) . ?
O54 C216 1.234(13) . ?
O55 C218 1.254(10) . ?
O56 C218 1.252(10) . ?
O57 C220 1.263(10) . ?
O58 C220 1.288(10) . ?
O59 C222 1.246(12) . ?
O60 C222 1.287(12) . ?
O61 C224 1.264(10) . ?
O62 C224 1.245(10) . ?
O63 C236 1.274(11) . ?
O64 C236 1.242(10) . ?
O65 C240 1.244(16) . ?
O66 C240 1.277(16) . ?
O67 C246 1.330(15) . ?
O68 C246 1.233(15) . ?
O69 C242 1.251(10) . ?
O70 C242 1.242(11) . ?
O71 C244 1.219(12) . ?
O72 C244 1.252(13) . ?
O73 C250 1.219(11) . ?
O74 C250 1.279(11) . ?
O75 C248 1.261(12) . ?
O76 C248 1.286(12) . ?
O77 C252 1.273(12) . ?
O78 C252 1.253(12) . ?
O79 C238 1.255(11) . ?
O80 C238 1.271(11) . ?
O81 C256 1.183(14) . ?
O82 C256 1.267(14) . ?
O83 C254 1.259(10) . ?
O84 C254 1.240(10) . ?
O85 C258 1.261(15) . ?
O86 C258 1.259(15) . ?
O87 C260 1.261(13) . ?
O88 C260 1.258(14) . ?
O89 C262 1.288(11) . ?
O90 C262 1.267(11) . ?
O91 C264 1.195(9) . ?
O92 C264 1.271(9) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.369(15) . ?
C2 C7 1.414(14) . ?
C3 C4 1.370(17) . ?
C3 H3A 0.9300 . ?
C4 C5 1.394(16) . ?
C4 H4A 0.9300 . ?
C5 C6 1.374(15) . ?
C5 H5A 0.9300 . ?
C6 C7 1.395(15) . ?
C6 C8 1.458(15) . ?
C8 H8A 0.9300 . ?
C9 C10 1.534(13) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C11 1.541(14) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.512(13) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C13 1.520(14) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.518(13) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.445(14) . ?
C15 H15A 0.9300 . ?
C16 C21 1.394(14) . ?
C16 C17 1.444(15) . ?
C17 C18 1.379(16) . ?
C17 H17A 0.9300 . ?
C18 C19 1.353(16) . ?
C18 H18A 0.9300 . ?
C19 C20 1.364(15) . ?
C19 H19A 0.9300 . ?
C20 C21 1.389(14) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 C25 1.378(14) . ?
C24 C29 1.420(14) . ?
C25 C26 1.395(15) . ?
C25 H25A 0.9300 . ?
C26 C27 1.372(14) . ?
C26 H26A 0.9300 . ?
C27 C28 1.416(14) . ?
C27 H27A 0.9300 . ?
C28 C29 1.420(14) . ?
C28 C30 1.470(14) . ?
C30 H30A 0.9300 . ?
C31 C32 1.512(14) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 C33 1.519(15) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C33 C34 1.530(14) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C34 C35 1.540(14) . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C35 C36 1.491(14) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C37 C38 1.448(14) . ?
C37 H37A 0.9300 . ?
C38 C43 1.394(14) . ?
C38 C39 1.439(15) . ?
C39 C40 1.359(16) . ?
C39 H39A 0.9300 . ?
C40 C41 1.356(16) . ?
C40 H40A 0.9300 . ?
C41 C42 1.372(16) . ?
C41 H41A 0.9300 . ?
C42 C43 1.402(15) . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C46 C47 1.367(16) . ?
C46 C51 1.415(15) . ?
C47 C48 1.395(17) . ?
C47 H47A 0.9300 . ?
C48 C49 1.396(17) . ?
C48 H48A 0.9300 . ?
C49 C50 1.414(16) . ?
C49 H49A 0.9300 . ?
C50 C51 1.415(16) . ?
C50 C52 1.464(15) . ?
C52 H52A 0.9300 . ?
C53 C54 1.525(15) . ?
C53 H53A 0.9700 . ?
C53 H53B 0.9700 . ?
C54 C55 1.509(14) . ?
C54 H54A 0.9700 . ?
C54 H54B 0.9700 . ?
C55 C56 1.544(15) . ?
C55 H55A 0.9700 . ?
C55 H55B 0.9700 . ?
C56 C57 1.508(15) . ?
C56 H56A 0.9700 . ?
C56 H56B 0.9700 . ?
C57 C58 1.501(15) . ?
C57 H57A 0.9700 . ?
C57 H57B 0.9700 . ?
C58 H58A 0.9700 . ?
C58 H58B 0.9700 . ?
C59 C60 1.448(15) . ?
C59 H59A 0.9300 . ?
C60 C61 1.412(16) . ?
C60 C65 1.428(15) . ?
C61 C62 1.381(17) . ?
C61 H61A 0.9300 . ?
C62 C63 1.336(17) . ?
C62 H62A 0.9300 . ?
C63 C64 1.383(17) . ?
C63 H63A 0.9300 . ?
C64 C65 1.452(16) . ?
C66 H66A 0.9600 . ?
C66 H66B 0.9600 . ?
C66 H66C 0.9600 . ?
C67 H67A 0.9600 . ?
C67 H67B 0.9600 . ?
C67 H67C 0.9600 . ?
C68 C69 1.382(15) . ?
C68 C73 1.432(15) . ?
C69 C70 1.386(15) . ?
C69 H69A 0.9300 . ?
C70 C71 1.355(15) . ?
C70 H70A 0.9300 . ?
C71 C72 1.431(14) . ?
C71 H71A 0.9300 . ?
C72 C73 1.406(14) . ?
C72 C74 1.449(14) . ?
C74 H74A 0.9300 . ?
C75 C76 1.520(14) . ?
C75 H75A 0.9700 . ?
C75 H75B 0.9700 . ?
C76 C77 1.517(14) . ?
C76 H76A 0.9700 . ?
C76 H76B 0.9700 . ?
C77 C78 1.564(15) . ?
C77 H77A 0.9700 . ?
C77 H77B 0.9700 . ?
C78 C79 1.523(15) . ?
C78 H78A 0.9700 . ?
C78 H78B 0.9700 . ?
C79 C80 1.532(15) . ?
C79 H79A 0.9700 . ?
C79 H79B 0.9700 . ?
C80 H80A 0.9700 . ?
C80 H80B 0.9700 . ?
C81 C82 1.480(15) . ?
C81 H81A 0.9300 . ?
C82 C87 1.383(15) . ?
C82 C83 1.441(15) . ?
C83 C84 1.345(16) . ?
C83 H83A 0.9300 . ?
C84 C85 1.418(17) . ?
C84 H84A 0.9300 . ?
C85 C86 1.377(15) . ?
C85 H85A 0.9300 . ?
C86 C87 1.414(15) . ?
C88 H88A 0.9600 . ?
C88 H88B 0.9600 . ?
C88 H88C 0.9600 . ?
C89 H89A 0.9600 . ?
C89 H89B 0.9600 . ?
C89 H89C 0.9600 . ?
C90 C91 1.356(14) . ?
C90 C95 1.440(15) . ?
C91 C92 1.417(16) . ?
C91 H91A 0.9300 . ?
C92 C93 1.369(16) . ?
C92 H92A 0.9300 . ?
C93 C94 1.416(16) . ?
C93 H93A 0.9300 . ?
C94 C95 1.381(14) . ?
C94 C96 1.446(15) . ?
C96 H96A 0.9300 . ?
C97 C98 1.519(15) . ?
C97 H97A 0.9700 . ?
C97 H97B 0.9700 . ?
C98 C99 1.523(16) . ?
C98 H98A 0.9700 . ?
C98 H98B 0.9700 . ?
C99 C100 1.549(16) . ?
C99 H99A 0.9700 . ?
C99 H99B 0.9700 . ?
C100 C101 1.501(16) . ?
C100 H10C 0.9700 . ?
C100 H10D 0.9700 . ?
C101 C102 1.517(16) . ?
C101 H10E 0.9700 . ?
C101 H10F 0.9700 . ?
C102 H10G 0.9700 . ?
C102 H10H 0.9700 . ?
C103 C104 1.455(19) . ?
C103 H10I 0.9300 . ?
C104 C109 1.387(19) . ?
C104 C105 1.461(19) . ?
C105 C106 1.32(2) . ?
C105 H10J 0.9300 . ?
C106 C107 1.41(2) . ?
C106 H10K 0.9300 . ?
C107 C108 1.326(19) . ?
C107 H10L 0.9300 . ?
C108 C109 1.379(17) . ?
C110 H11C 0.9600 . ?
C110 H11D 0.9600 . ?
C110 H11E 0.9600 . ?
C111 H11F 0.9600 . ?
C111 H11G 0.9600 . ?
C111 H11H 0.9600 . ?
C112 C113 1.339(18) . ?
C112 C117 1.413(16) . ?
C113 C114 1.398(19) . ?
C113 H11I 0.9300 . ?
C114 C115 1.384(19) . ?
C114 H11J 0.9300 . ?
C115 C116 1.402(17) . ?
C115 H11K 0.9300 . ?
C116 C117 1.412(16) . ?
C116 C118 1.441(17) . ?
C118 H11L 0.9300 . ?
C119 C120 1.442(19) . ?
C119 H11M 0.9700 . ?
C119 H11N 0.9700 . ?
C120 C121 1.59(2) . ?
C120 C268 1.65(5) . ?
C120 H12C 0.9700 . ?
C120 H12D 0.9700 . ?
C121 C122 1.50(3) . ?
C121 H12E 0.9700 . ?
C121 H12F 0.9700 . ?
C122 C123 1.53(2) . ?
C122 H12G 0.9700 . ?
C122 H12H 0.9700 . ?
C268 C269 1.52(7) . ?
C268 H26W 0.9700 . ?
C268 H26X 0.9700 . ?
C269 C123 1.65(4) . ?
C269 H26Y 0.9700 . ?
C269 H26Z 0.9700 . ?
C149 C150 1.35(4) . ?
C149 C148 1.46(3) . ?
C149 H14Q 0.9300 . ?
C150 C151 1.40(4) . ?
C150 H15B 0.9300 . ?
C151 C152 1.37(3) . ?
C151 H15D 0.9300 . ?
C265 C266 1.28(4) . ?
C265 C148 1.63(4) . ?
C265 H26E 0.9300 . ?
C266 C267 1.43(4) . ?
C266 H26F 0.9300 . ?
C267 C152 1.60(3) . ?
C267 H26G 0.9300 . ?
C123 C124 1.48(2) . ?
C123 H12I 0.9300 . ?
C124 H12J 0.9700 . ?
C124 H12K 0.9700 . ?
C125 C126 1.424(18) . ?
C125 H12L 0.9300 . ?
C126 C127 1.36(2) . ?
C126 C131 1.401(18) . ?
C127 C128 1.41(3) . ?
C127 H12M 0.9300 . ?
C128 C129 1.44(3) . ?
C128 H12O 0.9300 . ?
C129 C130 1.29(3) . ?
C129 H12Q 0.9300 . ?
C130 C131 1.388(19) . ?
C132 H13C 0.9600 . ?
C132 H13D 0.9600 . ?
C132 H13E 0.9600 . ?
C133 H13F 0.9600 . ?
C133 H13G 0.9600 . ?
C133 H13H 0.9600 . ?
C134 C135 1.379(17) . ?
C134 C139 1.432(16) . ?
C135 C136 1.433(19) . ?
C135 H13I 0.9300 . ?
C136 C137 1.347(18) . ?
C136 H13J 0.9300 . ?
C137 C138 1.407(17) . ?
C137 H13K 0.9300 . ?
C138 C139 1.354(16) . ?
C138 C140 1.474(17) . ?
C140 H14C 0.9300 . ?
C141 C142 1.491(15) . ?
C141 H14D 0.9700 . ?
C141 H14E 0.9700 . ?
C142 C143 1.576(15) . ?
C142 H14F 0.9700 . ?
C142 H14G 0.9700 . ?
C143 C144 1.556(15) . ?
C143 H14H 0.9700 . ?
C143 H14I 0.9700 . ?
C144 C145 1.477(16) . ?
C144 H14J 0.9700 . ?
C144 H14K 0.9700 . ?
C145 C146 1.531(16) . ?
C145 H14L 0.9700 . ?
C145 H14M 0.9700 . ?
C146 H14N 0.9700 . ?
C146 H14O 0.9700 . ?
C147 C148 1.406(19) . ?
C147 H14P 0.9300 . ?
C148 C153 1.357(15) . ?
C152 C153 1.439(15) . ?
C154 H15F 0.9600 . ?
C154 H15G 0.9600 . ?
C154 H15H 0.9600 . ?
C155 H15I 0.9600 . ?
C155 H15J 0.9600 . ?
C155 H15K 0.9600 . ?
C156 C157 1.340(17) . ?
C156 C161 1.405(16) . ?
C157 C158 1.42(2) . ?
C157 H15L 0.9300 . ?
C158 C159 1.349(19) . ?
C158 H15M 0.9300 . ?
C159 C160 1.431(17) . ?
C159 H15N 0.9300 . ?
C160 C161 1.403(17) . ?
C160 C162 1.432(16) . ?
C162 H16A 0.9300 . ?
C163 C164 1.498(15) . ?
C163 H16B 0.9700 . ?
C163 H16C 0.9700 . ?
C164 C165 1.548(15) . ?
C164 H16D 0.9700 . ?
C164 H16E 0.9700 . ?
C165 C166 1.553(15) . ?
C165 H16F 0.9700 . ?
C165 H16G 0.9700 . ?
C166 C167 1.529(15) . ?
C166 H16H 0.9700 . ?
C166 H16I 0.9700 . ?
C167 C168 1.533(16) . ?
C167 H16J 0.9700 . ?
C167 H16K 0.9700 . ?
C168 H16L 0.9700 . ?
C168 H16M 0.9700 . ?
C169 C170 1.463(17) . ?
C169 H16N 0.9300 . ?
C170 C171 1.390(17) . ?
C170 C175 1.406(17) . ?
C171 C172 1.376(19) . ?
C171 H17B 0.9300 . ?
C172 C173 1.409(19) . ?
C172 H17C 0.9300 . ?
C173 C174 1.395(17) . ?
C173 H17D 0.9300 . ?
C174 C175 1.402(16) . ?
C176 H17E 0.9600 . ?
C176 H17F 0.9600 . ?
C176 H17G 0.9600 . ?
C177 H17H 0.9600 . ?
C177 H17I 0.9600 . ?
C177 H17J 0.9600 . ?
C178 C179 1.374(17) . ?
C178 C183 1.419(15) . ?
C179 C180 1.364(18) . ?
C179 H17K 0.9300 . ?
C180 C181 1.367(18) . ?
C180 H18B 0.9300 . ?
C181 C182 1.438(17) . ?
C181 H18C 0.9300 . ?
C182 C183 1.352(15) . ?
C182 C184 1.477(16) . ?
C184 H18D 0.9300 . ?
C185 C186 1.518(16) . ?
C185 H18E 0.9700 . ?
C185 H18F 0.9700 . ?
C186 C187 1.530(15) . ?
C186 H18G 0.9700 . ?
C186 H18H 0.9700 . ?
C187 C188 1.514(16) . ?
C187 H18I 0.9700 . ?
C187 H18J 0.9700 . ?
C188 C189 1.532(16) . ?
C188 H18K 0.9700 . ?
C188 H18L 0.9700 . ?
C189 C190 1.509(16) . ?
C189 H18M 0.9700 . ?
C189 H18N 0.9700 . ?
C190 H19B 0.9700 . ?
C190 H19C 0.9700 . ?
C191 C192 1.476(18) . ?
C191 H19D 0.9300 . ?
C192 C197 1.377(17) . ?
C192 C193 1.411(17) . ?
C193 C194 1.383(19) . ?
C193 H19E 0.9300 . ?
C194 C195 1.31(2) . ?
C194 H19F 0.9300 . ?
C195 C196 1.399(18) . ?
C195 H19G 0.9300 . ?
C196 C197 1.398(17) . ?
C198 H19H 0.9600 . ?
C198 H19I 0.9600 . ?
C198 H19J 0.9600 . ?
C199 C200 1.501(13) . ?
C199 H19K 0.9600 . ?
C199 H19L 0.9600 . ?
C199 H19M 0.9600 . ?
C201 C202 1.48(2) . ?
C201 H20A 0.9600 . ?
C201 H20B 0.9600 . ?
C201 H20C 0.9600 . ?
C203 C204 1.503(16) . ?
C203 H20D 0.9600 . ?
C203 H20E 0.9600 . ?
C203 H20F 0.9600 . ?
C205 C206 1.539(15) . ?
C205 H20G 0.9600 . ?
C205 H20H 0.9600 . ?
C205 H20I 0.9600 . ?
C207 C208 1.479(16) . ?
C207 H20J 0.9600 . ?
C207 H20K 0.9600 . ?
C207 H20L 0.9600 . ?
C209 C210 1.480(14) . ?
C209 H20M 0.9600 . ?
C209 H20N 0.9600 . ?
C209 H20O 0.9600 . ?
C211 C212 1.492(16) . ?
C211 H21A 0.9600 . ?
C211 H21B 0.9600 . ?
C211 H21C 0.9600 . ?
C213 C214 1.511(18) . ?
C213 H21D 0.9600 . ?
C213 H21E 0.9600 . ?
C213 H21F 0.9600 . ?
C215 C216 1.59(2) . ?
C215 H21G 0.9600 . ?
C215 H21H 0.9600 . ?
C215 H21I 0.9600 . ?
C217 C218 1.515(14) . ?
C217 H21J 0.9600 . ?
C217 H21K 0.9600 . ?
C217 H21L 0.9600 . ?
C219 C220 1.502(15) . ?
C219 H21M 0.9600 . ?
C219 H21N 0.9600 . ?
C219 H21O 0.9600 . ?
C221 C222 1.521(18) . ?
C221 H22D 0.9600 . ?
C221 H22E 0.9600 . ?
C221 H22F 0.9600 . ?
C223 C224 1.496(15) . ?
C223 H22G 0.9600 . ?
C223 H22H 0.9600 . ?
C223 H22I 0.9600 . ?
C235 C236 1.512(15) . ?
C235 H23D 0.9600 . ?
C235 H23E 0.9600 . ?
C235 H23F 0.9600 . ?
C237 C238 1.471(16) . ?
C237 H23G 0.9600 . ?
C237 H23H 0.9600 . ?
C237 H23I 0.9600 . ?
C239 C240 1.49(2) . ?
C239 H23J 0.9600 . ?
C239 H23K 0.9600 . ?
C239 H23L 0.9600 . ?
C241 C242 1.511(15) . ?
C241 H24A 0.9600 . ?
C241 H24B 0.9600 . ?
C241 H24C 0.9600 . ?
C243 C244 1.479(18) . ?
C243 H24D 0.9600 . ?
C243 H24E 0.9600 . ?
C243 H24F 0.9600 . ?
C245 C246 1.513(19) . ?
C245 H24G 0.9600 . ?
C245 H24H 0.9600 . ?
C245 H24I 0.9600 . ?
C247 C248 1.501(17) . ?
C247 H24J 0.9600 . ?
C247 H24K 0.9600 . ?
C247 H24L 0.9600 . ?
C249 C250 1.511(15) . ?
C249 H24M 0.9600 . ?
C249 H24N 0.9600 . ?
C249 H24O 0.9600 . ?
C251 C252 1.535(18) . ?
C251 H25B 0.9600 . ?
C251 H25C 0.9600 . ?
C251 H25D 0.9600 . ?
C253 C254 1.521(15) . ?
C253 H25E 0.9600 . ?
C253 H25F 0.9600 . ?
C253 H25G 0.9600 . ?
C255 C256 1.56(2) . ?
C255 H25H 0.9600 . ?
C255 H25I 0.9600 . ?
C255 H25J 0.9600 . ?
C257 C258 1.45(2) . ?
C257 H25K 0.9600 . ?
C257 H25L 0.9600 . ?
C257 H25M 0.9600 . ?
C259 C260 1.51(2) . ?
C259 H25N 0.9600 . ?
C259 H25O 0.9600 . ?
C259 H25P 0.9600 . ?
C261 C262 1.501(16) . ?
C261 H26B 0.9600 . ?
C261 H26C 0.9600 . ?
C261 H26D 0.9600 . ?
C263 C264 1.529(9) . ?
C263 H26M 0.9600 . ?
C263 H26N 0.9600 . ?
C263 H26O 0.9600 . ?

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
O37 Eu1 O2 114.6(2) . . ?
O37 Eu1 O6 86.3(2) . . ?
O2 Eu1 O6 137.2(2) . . ?
O37 Eu1 O62 148.2(2) . . ?
O2 Eu1 O62 80.7(2) . . ?
O6 Eu1 O62 101.2(2) . . ?
O37 Eu1 O39 77.1(2) . . ?
O2 Eu1 O39 144.3(2) . . ?
O6 Eu1 O39 74.2(2) . . ?
O62 Eu1 O39 75.4(2) . . ?
O37 Eu1 O58 78.2(2) . . ?
O2 Eu1 O58 69.4(2) . . ?
O6 Eu1 O58 153.3(2) . . ?
O62 Eu1 O58 82.1(2) . . ?
O39 Eu1 O58 81.2(3) . . ?
O37 Eu1 N1 74.5(2) . . ?
O2 Eu1 N1 74.5(3) . . ?
O6 Eu1 N1 76.2(2) . . ?
O62 Eu1 N1 137.3(3) . . ?
O39 Eu1 N1 139.9(3) . . ?
O58 Eu1 N1 119.2(3) . . ?
O37 Eu1 O5 140.0(2) . . ?
O2 Eu1 O5 77.7(2) . . ?
O6 Eu1 O5 64.1(2) . . ?
O62 Eu1 O5 68.3(2) . . ?
O39 Eu1 O5 116.0(2) . . ?
O58 Eu1 O5 138.8(2) . . ?
N1 Eu1 O5 72.8(2) . . ?
O37 Eu1 C29 99.46(17) . . ?
O2 Eu1 C29 117.55(17) . . ?
O6 Eu1 C29 19.83(17) . . ?
O62 Eu1 C29 96.98(17) . . ?
O39 Eu1 C29 91.64(18) . . ?
O58 Eu1 C29 172.79(18) . . ?
N1 Eu1 C29 66.15(19) . . ?
O5 Eu1 C29 45.85(17) . . ?
O37 Eu1 Cd3 109.53(17) . . ?
O2 Eu1 Cd3 37.76(16) . . ?
O6 Eu1 Cd3 164.09(16) . . ?
O62 Eu1 Cd3 64.59(18) . . ?
O39 Eu1 Cd3 106.96(18) . . ?
O58 Eu1 Cd3 37.08(17) . . ?
N1 Eu1 Cd3 108.89(19) . . ?
O5 Eu1 Cd3 102.38(15) . . ?
C29 Eu1 Cd3 148.22(17) . . ?
O37 Eu1 Cd5 66.95(17) . . ?
O2 Eu1 Cd5 172.13(16) . . ?
O6 Eu1 Cd5 35.19(15) . . ?
O62 Eu1 Cd5 101.91(18) . . ?
O39 Eu1 Cd5 43.13(18) . . ?
O58 Eu1 Cd5 118.15(17) . . ?
N1 Eu1 Cd5 98.98(19) . . ?
O5 Eu1 Cd5 96.22(15) . . ?
C29 Eu1 Cd5 54.95(17) . . ?
Cd3 Eu1 Cd5 149.96(2) . . ?
O47 Eu2 O14 114.1(2) . . ?
O47 Eu2 O18 87.8(2) . . ?
O14 Eu2 O18 134.9(2) . . ?
O47 Eu2 O46 145.8(2) . . ?
O14 Eu2 O46 81.0(2) . . ?
O18 Eu2 O46 102.9(2) . . ?
O47 Eu2 O44 78.6(2) . . ?
O14 Eu2 O44 70.8(2) . . ?
O18 Eu2 O44 154.3(2) . . ?
O46 Eu2 O44 78.3(2) . . ?
O47 Eu2 N7 74.9(3) . . ?
O14 Eu2 N7 74.0(2) . . ?
O18 Eu2 N7 74.9(3) . . ?
O46 Eu2 N7 139.1(3) . . ?
O44 Eu2 N7 121.2(3) . . ?
O47 Eu2 O17 141.7(2) . . ?
O14 Eu2 O17 75.8(2) . . ?
O18 Eu2 O17 64.3(2) . . ?
O46 Eu2 O17 69.9(2) . . ?
O44 Eu2 O17 136.7(2) . . ?
N7 Eu2 O17 72.9(2) . . ?
O47 Eu2 O91 78.2(3) . . ?
O14 Eu2 O91 145.1(3) . . ?
O18 Eu2 O91 75.1(3) . . ?
O46 Eu2 O91 73.6(3) . . ?
O44 Eu2 O91 80.8(3) . . ?
N7 Eu2 O91 140.0(3) . . ?
O17 Eu2 O91 115.7(3) . . ?
O47 Eu2 C95 100.70(19) . . ?
O14 Eu2 C95 115.58(19) . . ?
O18 Eu2 C95 19.53(19) . . ?
O46 Eu2 C95 99.25(18) . . ?
O44 Eu2 C95 172.9(2) . . ?
N7 Eu2 C95 64.96(19) . . ?
O17 Eu2 C95 46.46(19) . . ?
O91 Eu2 C95 92.2(3) . . ?
O47 Eu2 Cd7 109.29(17) . . ?
O14 Eu2 Cd7 38.03(16) . . ?
O18 Eu2 Cd7 162.92(17) . . ?
O46 Eu2 Cd7 63.01(18) . . ?
O44 Eu2 Cd7 37.59(17) . . ?
N7 Eu2 Cd7 108.80(19) . . ?
O17 Eu2 Cd7 100.24(15) . . ?
O91 Eu2 Cd7 107.7(3) . . ?
C95 Eu2 Cd7 146.66(19) . . ?
O47 Eu2 Cd8 66.64(18) . . ?
O14 Eu2 Cd8 169.78(16) . . ?
O18 Eu2 Cd8 35.66(17) . . ?
O46 Eu2 Cd8 103.95(18) . . ?
O44 Eu2 Cd8 118.72(17) . . ?
N7 Eu2 Cd8 96.88(19) . . ?
O17 Eu2 Cd8 97.36(15) . . ?
O91 Eu2 Cd8 44.8(3) . . ?
C95 Eu2 Cd8 55.17(19) . . ?
Cd7 Eu2 Cd8 152.18(2) . . ?
O55 Eu3 O26 114.9(3) . . ?
O55 Eu3 O30 86.9(3) . . ?
O26 Eu3 O30 135.0(3) . . ?
O55 Eu3 O54 144.8(3) . . ?
O26 Eu3 O54 82.4(3) . . ?
O30 Eu3 O54 102.3(3) . . ?
O55 Eu3 O50 78.5(3) . . ?
O26 Eu3 O50 71.0(3) . . ?
O30 Eu3 O50 154.0(3) . . ?
O54 Eu3 O50 79.1(3) . . ?
O55 Eu3 N13 73.9(3) . . ?
O26 Eu3 N13 73.8(3) . . ?
O30 Eu3 N13 75.8(3) . . ?
O54 Eu3 N13 141.2(3) . . ?
O50 Eu3 N13 119.5(3) . . ?
O55 Eu3 O29 142.5(3) . . ?
O26 Eu3 O29 76.5(3) . . ?
O30 Eu3 O29 64.4(3) . . ?
O54 Eu3 O29 69.0(3) . . ?
O50 Eu3 O29 136.8(3) . . ?
N13 Eu3 O29 75.9(3) . . ?
O55 Eu3 Cl7 77.9(2) . . ?
O26 Eu3 Cl7 146.0(2) . . ?
O30 Eu3 Cl7 73.9(2) . . ?
O54 Eu3 Cl7 72.4(2) . . ?
O50 Eu3 Cl7 82.0(2) . . ?
N13 Eu3 Cl7 139.2(2) . . ?
O29 Eu3 Cl7 113.4(2) . . ?
O55 Eu3 C161 100.3(2) . . ?
O26 Eu3 C161 114.49(19) . . ?
O30 Eu3 C161 20.68(19) . . ?
O54 Eu3 C161 99.3(2) . . ?
O50 Eu3 C161 174.2(2) . . ?
N13 Eu3 C161 65.2(2) . . ?
O29 Eu3 C161 46.1(2) . . ?
Cl7 Eu3 C161 92.19(19) . . ?
O55 Eu3 Cd1 110.99(18) . . ?
O26 Eu3 Cd1 37.88(19) . . ?
O30 Eu3 Cd1 162.08(19) . . ?
O54 Eu3 Cd1 63.1(2) . . ?
O50 Eu3 Cd1 38.75(17) . . ?
N13 Eu3 Cd1 108.6(2) . . ?
O29 Eu3 Cd1 99.27(18) . . ?
Cl7 Eu3 Cd1 108.71(12) . . ?
C161 Eu3 Cd1 145.2(2) . . ?
O55 Eu3 Cd2 66.58(18) . . ?
O26 Eu3 Cd2 169.41(19) . . ?
O30 Eu3 Cd2 34.93(19) . . ?
O54 Eu3 Cd2 102.2(2) . . ?
O50 Eu3 Cd2 119.09(18) . . ?
N13 Eu3 Cd2 97.2(2) . . ?
O29 Eu3 Cd2 96.08(18) . . ?
Cl7 Eu3 Cd2 43.95(12) . . ?
C161 Eu3 Cd2 55.59(19) . . ?
Cd1 Eu3 Cd2 152.55(2) . . ?
O63 Eu4 O31 113.6(3) . . ?
O63 Eu4 O27 87.0(3) . . ?
O31 Eu4 O27 134.7(3) . . ?
O63 Eu4 O87 146.5(3) . . ?
O31 Eu4 O87 80.8(3) . . ?
O27 Eu4 O87 104.3(3) . . ?
O63 Eu4 O89 77.5(3) . . ?
O31 Eu4 O89 73.2(3) . . ?
O27 Eu4 O89 152.0(3) . . ?
O87 Eu4 O89 78.5(3) . . ?
O63 Eu4 N16 74.1(3) . . ?
O31 Eu4 N16 72.9(3) . . ?
O27 Eu4 N16 75.1(3) . . ?
O87 Eu4 N16 139.0(3) . . ?
O89 Eu4 N16 121.2(3) . . ?
O63 Eu4 O28 141.5(3) . . ?
O31 Eu4 O28 76.6(3) . . ?
O27 Eu4 O28 64.2(3) . . ?
O87 Eu4 O28 69.5(3) . . ?
O89 Eu4 O28 138.8(3) . . ?
N16 Eu4 O28 74.1(3) . . ?
O63 Eu4 Cl5 79.0(2) . . ?
O31 Eu4 Cl5 147.4(2) . . ?
O27 Eu4 Cl5 73.1(2) . . ?
O87 Eu4 Cl5 74.5(3) . . ?
O89 Eu4 Cl5 81.1(2) . . ?
N16 Eu4 Cl5 139.1(2) . . ?
O28 Eu4 Cl5 113.0(2) . . ?
O63 Eu4 C153 99.2(2) . . ?
O31 Eu4 C153 115.2(3) . . ?
O27 Eu4 C153 19.6(2) . . ?
O87 Eu4 C153 101.2(2) . . ?
O89 Eu4 C153 171.4(3) . . ?
N16 Eu4 C153 64.5(3) . . ?
O28 Eu4 C153 46.9(2) . . ?
Cl5 Eu4 C153 90.5(3) . . ?
O63 Eu4 Cd14 108.00(19) . . ?
O31 Eu4 Cd14 39.0(2) . . ?
O27 Eu4 Cd14 165.03(19) . . ?
O87 Eu4 Cd14 63.4(2) . . ?
O89 Eu4 Cd14 38.51(17) . . ?
N16 Eu4 Cd14 108.0(2) . . ?
O28 Eu4 Cd14 102.1(2) . . ?
Cl5 Eu4 Cd14 109.38(9) . . ?
C153 Eu4 Cd14 148.7(2) . . ?
O63 Eu4 Cd13 65.21(19) . . ?
O31 Eu4 Cd13 169.0(2) . . ?
O27 Eu4 Cd13 36.04(19) . . ?
O87 Eu4 Cd13 106.1(2) . . ?
O89 Eu4 Cd13 116.09(18) . . ?
N16 Eu4 Cd13 96.6(2) . . ?
O28 Eu4 Cd13 97.7(2) . . ?
Cl5 Eu4 Cd13 43.47(9) . . ?
C153 Eu4 Cd13 55.6(2) . . ?
Cd14 Eu4 Cd13 151.82(3) . . ?
O83 Eu5 O7 113.5(2) . . ?
O83 Eu5 O3 86.6(2) . . ?
O7 Eu5 O3 134.9(3) . . ?
O83 Eu5 O81 78.9(3) . . ?
O7 Eu5 O81 146.3(2) . . ?
O3 Eu5 O81 74.4(3) . . ?
O83 Eu5 O74 75.6(2) . . ?
O7 Eu5 O74 72.8(2) . . ?
O3 Eu5 O74 152.0(2) . . ?
O81 Eu5 O74 81.0(2) . . ?
O83 Eu5 O78 146.5(3) . . ?
O7 Eu5 O78 77.9(3) . . ?
O3 Eu5 O78 107.8(3) . . ?
O81 Eu5 O78 76.3(3) . . ?
O74 Eu5 O78 78.6(3) . . ?
O83 Eu5 O4 142.7(2) . . ?
O7 Eu5 O4 76.4(2) . . ?
O3 Eu5 O4 65.3(2) . . ?
O81 Eu5 O4 113.6(3) . . ?
O74 Eu5 O4 139.2(2) . . ?
O78 Eu5 O4 69.3(3) . . ?
O83 Eu5 N4 73.7(3) . . ?
O7 Eu5 N4 72.8(3) . . ?
O3 Eu5 N4 75.4(3) . . ?
O81 Eu5 N4 140.0(3) . . ?
O74 Eu5 N4 118.4(3) . . ?
O78 Eu5 N4 138.6(3) . . ?
O4 Eu5 N4 75.7(3) . . ?
O83 Eu5 C21 100.40(18) . . ?
O7 Eu5 C21 114.45(18) . . ?
O3 Eu5 C21 20.78(18) . . ?
O81 Eu5 C21 92.36(18) . . ?
O74 Eu5 C21 172.76(18) . . ?
O78 Eu5 C21 102.80(19) . . ?
O4 Eu5 C21 46.56(18) . . ?
N4 Eu5 C21 65.28(19) . . ?
O83 Eu5 Cd16 105.28(18) . . ?
O7 Eu5 Cd16 38.63(17) . . ?
O3 Eu5 Cd16 168.01(17) . . ?
O81 Eu5 Cd16 108.99(18) . . ?
O74 Eu5 Cd16 37.66(17) . . ?
O78 Eu5 Cd16 63.05(19) . . ?
O4 Eu5 Cd16 103.24(16) . . ?
N4 Eu5 Cd16 105.99(19) . . ?
C21 Eu5 Cd16 149.16(18) . . ?
O83 Eu5 Cd15 65.94(18) . . ?
O7 Eu5 Cd15 167.42(17) . . ?
O3 Eu5 Cd15 34.04(18) . . ?
O81 Eu5 Cd15 46.15(18) . . ?
O74 Eu5 Cd15 117.97(17) . . ?
O78 Eu5 Cd15 109.6(2) . . ?
O4 Eu5 Cd15 96.62(16) . . ?
N4 Eu5 Cd15 95.46(19) . . ?
C21 Eu5 Cd15 54.82(18) . . ?
Cd16 Eu5 Cd15 153.68(2) . . ?
O19 Eu6 O69 113.8(3) . . ?
O19 Eu6 O15 137.7(3) . . ?
O69 Eu6 O15 87.9(3) . . ?
O19 Eu6 O68 80.8(3) . . ?
O69 Eu6 O68 147.7(3) . . ?
O15 Eu6 O68 100.2(3) . . ?
O19 Eu6 O71 145.1(3) . . ?
O69 Eu6 O71 76.5(3) . . ?
O15 Eu6 O71 72.8(3) . . ?
O68 Eu6 O71 76.2(3) . . ?
O19 Eu6 O79 71.2(3) . . ?
O69 Eu6 O79 77.0(3) . . ?
O15 Eu6 O79 151.0(3) . . ?
O68 Eu6 O79 81.3(3) . . ?
O71 Eu6 O79 79.7(3) . . ?
O19 Eu6 N10 74.0(3) . . ?
O69 Eu6 N10 74.7(3) . . ?
O15 Eu6 N10 78.0(3) . . ?
O68 Eu6 N10 137.5(3) . . ?
O71 Eu6 N10 139.4(3) . . ?
O79 Eu6 N10 120.2(3) . . ?
O19 Eu6 O16 77.0(3) . . ?
O69 Eu6 O16 140.3(3) . . ?
O15 Eu6 O16 64.6(2) . . ?
O68 Eu6 O16 69.2(3) . . ?
O71 Eu6 O16 117.4(3) . . ?
O79 Eu6 O16 139.5(3) . . ?
N10 Eu6 O16 72.1(3) . . ?
O19 Eu6 C87 117.5(2) . . ?
O69 Eu6 C87 100.3(2) . . ?
O15 Eu6 C87 20.26(18) . . ?
O68 Eu6 C87 97.3(2) . . ?
O71 Eu6 C87 91.3(2) . . ?
O79 Eu6 C87 170.9(2) . . ?
N10 Eu6 C87 66.6(2) . . ?
O16 Eu6 C87 46.18(18) . . ?
O19 Eu6 Cd12 37.8(2) . . ?
O69 Eu6 Cd12 108.3(2) . . ?
O15 Eu6 Cd12 163.62(19) . . ?
O68 Eu6 Cd12 64.7(2) . . ?
O71 Eu6 Cd12 107.7(2) . . ?
O79 Eu6 Cd12 38.2(2) . . ?
N10 Eu6 Cd12 108.2(2) . . ?
O16 Eu6 Cd12 102.29(17) . . ?
C87 Eu6 Cd12 148.47(18) . . ?
O19 Eu6 Cd18 173.8(2) . . ?
O69 Eu6 Cd18 67.8(2) . . ?
O15 Eu6 Cd18 36.24(18) . . ?
O68 Eu6 Cd18 100.9(2) . . ?
O71 Eu6 Cd18 40.5(2) . . ?
O79 Eu6 Cd18 114.8(2) . . ?
N10 Eu6 Cd18 101.2(2) . . ?
O16 Eu6 Cd18 98.03(17) . . ?
C87 Eu6 Cd18 56.49(18) . . ?
Cd12 Eu6 Cd18 148.15(3) . . ?
O11 Cd16 O77 78.5(2) . . ?
O11 Cd16 N6 83.2(3) . . ?
O77 Cd16 N6 159.0(3) . . ?
O11 Cd16 O74 135.5(3) . . ?
O77 Cd16 O74 89.1(3) . . ?
N6 Cd16 O74 111.4(3) . . ?
O11 Cd16 O7 150.4(2) . . ?
O77 Cd16 O7 96.6(2) . . ?
N6 Cd16 O7 94.2(3) . . ?
O74 Cd16 O7 72.8(2) . . ?
O11 Cd16 O8 86.3(2) . . ?
O77 Cd16 O8 87.8(3) . . ?
N6 Cd16 O8 80.8(3) . . ?
O74 Cd16 O8 136.2(2) . . ?
O7 Cd16 O8 64.2(2) . . ?
O11 Cd16 Eu5 159.44(18) . . ?
O77 Cd16 Eu5 81.40(17) . . ?
N6 Cd16 Eu5 117.4(2) . . ?
O74 Cd16 Eu5 39.12(17) . . ?
O7 Cd16 Eu5 37.22(18) . . ?
O8 Cd16 Eu5 97.35(17) . . ?
O10 Cd7 O45 75.8(3) . . ?
O10 Cd7 N5 81.8(3) . . ?
O45 Cd7 N5 154.6(3) . . ?
O10 Cd7 O44 134.6(2) . . ?
O45 Cd7 O44 87.4(3) . . ?
N5 Cd7 O44 117.2(3) . . ?
O10 Cd7 O14 152.8(2) . . ?
O45 Cd7 O14 97.5(2) . . ?
N5 Cd7 O14 96.8(3) . . ?
O44 Cd7 O14 70.0(2) . . ?
O10 Cd7 O13 87.9(2) . . ?
O45 Cd7 O13 85.9(3) . . ?
N5 Cd7 O13 81.2(3) . . ?
O44 Cd7 O13 133.3(2) . . ?
O14 Cd7 O13 65.1(2) . . ?
O10 Cd7 Eu2 154.77(19) . . ?
O45 Cd7 Eu2 79.33(18) . . ?
N5 Cd7 Eu2 123.4(2) . . ?
O44 Cd7 Eu2 38.69(17) . . ?
O14 Cd7 Eu2 36.09(17) . . ?
O13 Cd7 Eu2 94.71(15) . . ?
N17 Cd3 O34 81.4(3) . . ?
N17 Cd3 O61 154.6(3) . . ?
O34 Cd3 O61 75.5(3) . . ?
N17 Cd3 O58 116.4(3) . . ?
O34 Cd3 O58 135.8(3) . . ?
O61 Cd3 O58 87.9(3) . . ?
N17 Cd3 O2 99.8(3) . . ?
O34 Cd3 O2 151.6(3) . . ?
O61 Cd3 O2 95.7(3) . . ?
O58 Cd3 O2 69.2(2) . . ?
N17 Cd3 O1 81.4(3) . . ?
O34 Cd3 O1 87.3(2) . . ?
O61 Cd3 O1 87.1(3) . . ?
O58 Cd3 O1 133.2(2) . . ?
O2 Cd3 O1 65.1(2) . . ?
N17 Cd3 Eu1 125.8(2) . . ?
O34 Cd3 Eu1 152.78(19) . . ?
O61 Cd3 Eu1 77.60(18) . . ?
O58 Cd3 Eu1 38.28(18) . . ?
O2 Cd3 Eu1 36.28(16) . . ?
O1 Cd3 Eu1 95.45(16) . . ?
O30 Cd2 N15 79.5(3) . . ?
O30 Cd2 O56 93.8(3) . . ?
N15 Cd2 O56 94.5(3) . . ?
O30 Cd2 O57 168.8(3) . . ?
N15 Cd2 O57 90.3(3) . . ?
O56 Cd2 O57 91.7(2) . . ?
O30 Cd2 O59 88.2(3) . . ?
N15 Cd2 O59 83.9(3) . . ?
O56 Cd2 O59 177.1(3) . . ?
O57 Cd2 O59 85.9(3) . . ?
O30 Cd2 Cl7 77.7(3) . . ?
N15 Cd2 Cl7 156.7(3) . . ?
O56 Cd2 Cl7 82.5(2) . . ?
O57 Cd2 Cl7 112.8(2) . . ?
O59 Cd2 Cl7 100.0(3) . . ?
O30 Cd2 Eu3 34.34(18) . . ?
N15 Cd2 Eu3 108.4(2) . . ?
O56 Cd2 Eu3 73.61(18) . . ?
O57 Cd2 Eu3 156.76(17) . . ?
O59 Cd2 Eu3 109.2(2) . . ?
Cl7 Cd2 Eu3 48.58(19) . . ?
O10 Cd6 O45 75.1(2) . . ?
O10 Cd6 O42 155.6(3) . . ?
O45 Cd6 O42 107.1(3) . . ?
O10 Cd6 O41 99.1(3) . . ?
O45 Cd6 O41 102.5(3) . . ?
O42 Cd6 O41 56.5(3) . . ?
O10 Cd6 O9 67.5(2) . . ?
O45 Cd6 O9 142.6(3) . . ?
O42 Cd6 O9 106.8(3) . . ?
O41 Cd6 O9 83.4(3) . . ?
O10 Cd6 Cl2 106.6(2) . . ?
O45 Cd6 Cl2 102.7(2) . . ?
O42 Cd6 Cl2 96.8(2) . . ?
O41 Cd6 Cl2 147.7(2) . . ?
O9 Cd6 Cl2 88.6(2) . . ?
O10 Cd6 C204 127.5(2) . . ?
O45 Cd6 C204 108.1(3) . . ?
O42 Cd6 C204 28.1(2) . . ?
O41 Cd6 C204 28.4(2) . . ?
O9 Cd6 C204 94.6(3) . . ?
Cl2 Cd6 C204 122.5(2) . . ?
N3 Cd5 O40 152.2(3) . . ?
N3 Cd5 O38 95.3(3) . . ?
O40 Cd5 O38 111.1(3) . . ?
N3 Cd5 O6 80.5(3) . . ?
O40 Cd5 O6 106.3(3) . . ?
O38 Cd5 O6 91.9(2) . . ?
N3 Cd5 O43 91.2(3) . . ?
O40 Cd5 O43 80.8(3) . . ?
O38 Cd5 O43 89.4(2) . . ?
O6 Cd5 O43 171.6(2) . . ?
N3 Cd5 O41 80.4(3) . . ?
O40 Cd5 O41 73.7(3) . . ?
O38 Cd5 O41 174.8(3) . . ?
O6 Cd5 O41 84.6(2) . . ?
O43 Cd5 O41 93.5(2) . . ?
N3 Cd5 O39 148.1(3) . . ?
O40 Cd5 O39 51.0(3) . . ?
O38 Cd5 O39 79.3(2) . . ?
O6 Cd5 O39 68.5(2) . . ?
O43 Cd5 O39 119.9(2) . . ?
O41 Cd5 O39 102.9(2) . . ?
N3 Cd5 Eu1 110.5(2) . . ?
O40 Cd5 Eu1 86.3(3) . . ?
O38 Cd5 Eu1 73.16(18) . . ?
O6 Cd5 Eu1 34.43(16) . . ?
O43 Cd5 Eu1 152.92(18) . . ?
O41 Cd5 Eu1 105.60(18) . . ?
O39 Cd5 Eu1 37.75(17) . . ?
O82 Cd15 N2 149.0(3) . . ?
O82 Cd15 O84 114.3(3) . . ?
N2 Cd15 O84 96.5(3) . . ?
O82 Cd15 O3 99.9(3) . . ?
N2 Cd15 O3 81.0(3) . . ?
O84 Cd15 O3 93.5(2) . . ?
O82 Cd15 O90 82.8(3) . . ?
N2 Cd15 O90 94.9(3) . . ?
O84 Cd15 O90 88.4(3) . . ?
O3 Cd15 O90 175.7(2) . . ?
O82 Cd15 O85 71.6(3) . . ?
N2 Cd15 O85 77.4(3) . . ?
O84 Cd15 O85 173.2(3) . . ?
O3 Cd15 O85 88.5(3) . . ?
O90 Cd15 O85 89.1(3) . . ?
O82 Cd15 Eu5 84.0(2) . . ?
N2 Cd15 Eu5 109.6(2) . . ?
O84 Cd15 Eu5 73.46(18) . . ?
O3 Cd15 Eu5 33.58(17) . . ?
O90 Cd15 Eu5 150.67(18) . . ?
O85 Cd15 Eu5 111.3(2) . . ?
O60 Cd4 O34 143.7(3) . . ?
O60 Cd4 O61 107.1(3) . . ?
O34 Cd4 O61 75.1(3) . . ?
O60 Cd4 O33 97.7(3) . . ?
O34 Cd4 O33 68.4(3) . . ?
O61 Cd4 O33 142.6(3) . . ?
O60 Cd4 Cl3 108.2(2) . . ?
O34 Cd4 Cl3 107.3(2) . . ?
O61 Cd4 Cl3 98.5(2) . . ?
O33 Cd4 Cl3 100.0(2) . . ?
O60 Cd4 O59 54.6(3) . . ?
O34 Cd4 O59 89.8(3) . . ?
O61 Cd4 O59 88.0(3) . . ?
O33 Cd4 O59 83.9(3) . . ?
Cl3 Cd4 O59 162.7(2) . . ?
O60 Cd4 C222 27.7(2) . . ?
O34 Cd4 C222 116.7(3) . . ?
O61 Cd4 C222 96.9(3) . . ?
O33 Cd4 C222 92.1(3) . . ?
Cl3 Cd4 C222 135.8(2) . . ?
O59 Cd4 C222 26.9(2) . . ?
O15 Cd18 N8 78.5(3) . . ?
O15 Cd18 O70 92.8(3) . . ?
N8 Cd18 O70 91.6(3) . . ?
O15 Cd18 O73 172.5(3) . . ?
N8 Cd18 O73 94.0(3) . . ?
O70 Cd18 O73 86.6(2) . . ?
O15 Cd18 O75 90.1(3) . . ?
N8 Cd18 O75 79.1(3) . . ?
O70 Cd18 O75 169.5(3) . . ?
O73 Cd18 O75 89.2(2) . . ?
O15 Cd18 O72 106.5(3) . . ?
N8 Cd18 O72 154.8(3) . . ?
O70 Cd18 O72 112.5(3) . . ?
O73 Cd18 O72 80.5(3) . . ?
O75 Cd18 O72 76.2(3) . . ?
O15 Cd18 O71 68.5(3) . . ?
N8 Cd18 O71 145.4(3) . . ?
O70 Cd18 O71 80.2(3) . . ?
O73 Cd18 O71 118.7(3) . . ?
O75 Cd18 O71 110.2(3) . . ?
O72 Cd18 O71 52.0(3) . . ?
O15 Cd18 Eu6 35.16(18) . . ?
N8 Cd18 Eu6 108.3(2) . . ?
O70 Cd18 Eu6 74.06(18) . . ?
O73 Cd18 Eu6 150.49(17) . . ?
O75 Cd18 Eu6 113.31(18) . . ?
O72 Cd18 Eu6 86.4(2) . . ?
O71 Cd18 Eu6 37.09(19) . . ?
O76 Cd17 O11 148.3(3) . . ?
O76 Cd17 O77 110.6(3) . . ?
O11 Cd17 O77 76.8(2) . . ?
O76 Cd17 O75 55.9(3) . . ?
O11 Cd17 O75 93.6(2) . . ?
O77 Cd17 O75 93.7(3) . . ?
O76 Cd17 Cl1 98.8(2) . . ?
O11 Cd17 Cl1 110.86(19) . . ?
O77 Cd17 Cl1 98.6(2) . . ?
O75 Cd17 Cl1 154.57(19) . . ?
O76 Cd17 O12 105.5(3) . . ?
O11 Cd17 O12 66.3(2) . . ?
O77 Cd17 O12 142.0(3) . . ?
O75 Cd17 O12 97.1(3) . . ?
Cl1 Cd17 O12 86.9(2) . . ?
O76 Cd17 C248 28.2(3) . . ?
O11 Cd17 C248 121.2(3) . . ?
O77 Cd17 C248 102.2(2) . . ?
O75 Cd17 C248 27.8(3) . . ?
Cl1 Cd17 C248 127.0(3) . . ?
O12 Cd17 C248 104.2(2) . . ?
N18 Cd14 O35 83.6(3) . . ?
N18 Cd14 O88 160.5(3) . . ?
O35 Cd14 O88 78.3(3) . . ?
N18 Cd14 O89 110.3(3) . . ?
O35 Cd14 O89 134.6(3) . . ?
O88 Cd14 O89 87.8(3) . . ?
N18 Cd14 O31 95.2(3) . . ?
O35 Cd14 O31 151.6(3) . . ?
O88 Cd14 O31 97.4(3) . . ?
O89 Cd14 O31 72.3(3) . . ?
N18 Cd14 O32 82.4(3) . . ?
O35 Cd14 O32 86.5(3) . . ?
O88 Cd14 O32 89.3(3) . . ?
O89 Cd14 O32 136.7(3) . . ?
O31 Cd14 O32 65.3(3) . . ?
N18 Cd14 Eu4 118.5(3) . . ?
O35 Cd14 Eu4 157.8(2) . . ?
O88 Cd14 Eu4 80.1(2) . . ?
O89 Cd14 Eu4 39.35(18) . . ?
O31 Cd14 Eu4 37.18(19) . . ?
O32 Cd14 Eu4 97.74(19) . . ?
O92 Cd8 N9 143.0(4) . . ?
O92 Cd8 O18 109.4(4) . . ?
N9 Cd8 O18 80.4(3) . . ?
O92 Cd8 O48 118.0(4) . . ?
N9 Cd8 O48 95.9(3) . . ?
O18 Cd8 O48 94.4(3) . . ?
O92 Cd8 O49 73.4(4) . . ?
N9 Cd8 O49 91.6(3) . . ?
O18 Cd8 O49 169.8(3) . . ?
O48 Cd8 O49 92.7(3) . . ?
O92 Cd8 O51 63.4(4) . . ?
N9 Cd8 O51 82.6(3) . . ?
O18 Cd8 O51 85.5(3) . . ?
O48 Cd8 O51 178.5(3) . . ?
O49 Cd8 O51 87.3(3) . . ?
O92 Cd8 O91 51.9(3) . . ?
N9 Cd8 O91 155.1(3) . . ?
O18 Cd8 O91 74.8(3) . . ?
O48 Cd8 O91 83.9(3) . . ?
O49 Cd8 O91 113.3(3) . . ?
O51 Cd8 O91 97.5(3) . . ?
O92 Cd8 C264 26.3(2) . . ?
N9 Cd8 C264 159.5(5) . . ?
O18 Cd8 C264 90.4(4) . . ?
O48 Cd8 C264 103.1(4) . . ?
O49 Cd8 C264 95.1(4) . . ?
O51 Cd8 C264 78.4(4) . . ?
O91 Cd8 C264 25.80(18) . . ?
O92 Cd8 Eu2 93.1(3) . . ?
N9 Cd8 Eu2 111.1(2) . . ?
O18 Cd8 Eu2 35.35(18) . . ?
O48 Cd8 Eu2 74.53(18) . . ?
O49 Cd8 Eu2 154.7(2) . . ?
O51 Cd8 Eu2 106.1(2) . . ?
O91 Cd8 Eu2 44.7(2) . . ?
C264 Cd8 Eu2 67.6(3) . . ?
O22 Cd9 O53 74.8(3) . . ?
O22 Cd9 O52 153.9(3) . . ?
O53 Cd9 O52 110.0(3) . . ?
O22 Cd9 O21 67.7(3) . . ?
O53 Cd9 O21 142.1(3) . . ?
O52 Cd9 O21 101.4(3) . . ?
O22 Cd9 O51 100.2(3) . . ?
O53 Cd9 O51 90.7(4) . . ?
O52 Cd9 O51 55.0(3) . . ?
O21 Cd9 O51 90.2(4) . . ?
O22 Cd9 Cl4 107.9(2) . . ?
O53 Cd9 Cl4 104.8(2) . . ?
O52 Cd9 Cl4 95.8(2) . . ?
O21 Cd9 Cl4 92.2(2) . . ?
O51 Cd9 Cl4 150.6(2) . . ?
O22 Cd9 C214 126.8(3) . . ?
O53 Cd9 C214 101.8(3) . . ?
O52 Cd9 C214 27.9(3) . . ?
O21 Cd9 C214 96.0(3) . . ?
O51 Cd9 C214 27.1(3) . . ?
Cl4 Cd9 C214 123.6(3) . . ?
N14 Cd13 O80 93.4(3) . . ?
N14 Cd13 O27 80.1(3) . . ?
O80 Cd13 O27 170.7(3) . . ?
N14 Cd13 O64 92.1(3) . . ?
O80 Cd13 O64 90.3(3) . . ?
O27 Cd13 O64 96.5(3) . . ?
N14 Cd13 O65 86.9(4) . . ?
O80 Cd13 O65 84.6(3) . . ?
O27 Cd13 O65 88.5(3) . . ?
O64 Cd13 O65 174.7(3) . . ?
N14 Cd13 Cl5 158.5(3) . . ?
O80 Cd13 Cl5 108.1(2) . . ?
O27 Cd13 Cl5 78.5(2) . . ?
O64 Cd13 Cl5 88.5(2) . . ?
O65 Cd13 Cl5 94.3(3) . . ?
N14 Cd13 Eu4 109.2(2) . . ?
O80 Cd13 Eu4 153.9(2) . . ?
O27 Cd13 Eu4 35.19(18) . . ?
O64 Cd13 Eu4 76.32(18) . . ?
O65 Cd13 Eu4 108.9(2) . . ?
Cl5 Cd13 Eu4 50.18(12) . . ?
O23 Cd12 N12 83.5(4) . . ?
O23 Cd12 O67 76.3(3) . . ?
N12 Cd12 O67 157.7(4) . . ?
O23 Cd12 O79 136.5(3) . . ?
N12 Cd12 O79 112.3(3) . . ?
O67 Cd12 O79 89.2(3) . . ?
O23 Cd12 O19 150.3(3) . . ?
N12 Cd12 O19 96.9(3) . . ?
O67 Cd12 O19 96.0(3) . . ?
O79 Cd12 O19 70.8(3) . . ?
O23 Cd12 O20 85.8(3) . . ?
N12 Cd12 O20 82.6(4) . . ?
O67 Cd12 O20 86.5(3) . . ?
O79 Cd12 O20 134.7(3) . . ?
O19 Cd12 O20 64.9(3) . . ?
O23 Cd12 Eu6 155.4(2) . . ?
N12 Cd12 Eu6 121.1(3) . . ?
O67 Cd12 Eu6 79.3(2) . . ?
O79 Cd12 Eu6 39.31(19) . . ?
O19 Cd12 Eu6 36.22(19) . . ?
O20 Cd12 Eu6 95.8(2) . . ?
O22 Cd1 N11 82.5(3) . . ?
O22 Cd1 O53 75.3(3) . . ?
N11 Cd1 O53 155.9(3) . . ?
O22 Cd1 O26 153.6(3) . . ?
N11 Cd1 O26 97.1(3) . . ?
O53 Cd1 O26 98.7(3) . . ?
O22 Cd1 O50 134.7(3) . . ?
N11 Cd1 O50 111.0(3) . . ?
O53 Cd1 O50 91.5(3) . . ?
O26 Cd1 O50 70.2(2) . . ?
O22 Cd1 O25 86.8(3) . . ?
N11 Cd1 O25 85.6(3) . . ?
O53 Cd1 O25 84.0(3) . . ?
O26 Cd1 O25 66.9(2) . . ?
O50 Cd1 O25 135.6(2) . . ?
O22 Cd1 Eu3 155.9(2) . . ?
N11 Cd1 Eu3 121.6(2) . . ?
O53 Cd1 Eu3 81.2(2) . . ?
O26 Cd1 Eu3 36.28(18) . . ?
O50 Cd1 Eu3 39.45(17) . . ?
O25 Cd1 Eu3 96.40(17) . . ?
O35 Cd11 O86 153.9(4) . . ?
O35 Cd11 O88 77.1(3) . . ?
O86 Cd11 O88 110.8(4) . . ?
O35 Cd11 O85 99.6(3) . . ?
O86 Cd11 O85 55.6(4) . . ?
O88 Cd11 O85 96.5(4) . . ?
O35 Cd11 Cl6 105.8(3) . . ?
O86 Cd11 Cl6 98.4(3) . . ?
O88 Cd11 Cl6 94.9(3) . . ?
O85 Cd11 Cl6 154.0(3) . . ?
O35 Cd11 O36 64.7(3) . . ?
O86 Cd11 O36 102.1(4) . . ?
O88 Cd11 O36 141.6(3) . . ?
O85 Cd11 O36 85.9(4) . . ?
Cl6 Cd11 O36 99.4(3) . . ?
O35 Cd11 C258 126.9(3) . . ?
O86 Cd11 C258 27.7(3) . . ?
O88 Cd11 C258 106.2(4) . . ?
O85 Cd11 C258 27.9(3) . . ?
Cl6 Cd11 C258 126.1(3) . . ?
O36 Cd11 C258 93.7(3) . . ?
O66 Cd10 O23 141.0(4) . . ?
O66 Cd10 O67 106.6(4) . . ?
O23 Cd10 O67 76.4(3) . . ?
O66 Cd10 Cl8' 103.7(6) . . ?
O23 Cd10 Cl8' 109.8(7) . . ?
O67 Cd10 Cl8' 115.5(11) . . ?
O66 Cd10 O24 100.1(4) . . ?
O23 Cd10 O24 67.0(3) . . ?
O67 Cd10 O24 143.2(3) . . ?
Cl8' Cd10 O24 81.2(12) . . ?
O66 Cd10 Cl8 104.2(5) . . ?
O23 Cd10 Cl8 114.6(5) . . ?
O67 Cd10 Cl8 92.3(8) . . ?
Cl8' Cd10 Cl8 24.8(7) . . ?
O24 Cd10 Cl8 105.3(8) . . ?
O66 Cd10 O65 53.4(3) . . ?
O23 Cd10 O65 88.3(3) . . ?
O67 Cd10 O65 89.2(3) . . ?
Cl8' Cd10 O65 151.8(8) . . ?
O24 Cd10 O65 86.8(4) . . ?
Cl8 Cd10 O65 156.8(5) . . ?
Cd13 Cl5 Eu4 86.34(15) . . ?
Cd2 Cl7 Eu3 87.5(2) . . ?
C8 N1 C9 116.2(6) . . ?
C8 N1 Eu1 125.2(5) . . ?
C9 N1 Eu1 118.0(4) . . ?
C15 N2 C14 118.7(6) . . ?
C15 N2 Cd15 125.6(5) . . ?
C14 N2 Cd15 115.1(5) . . ?
C30 N3 C31 116.4(7) . . ?
C30 N3 Cd5 126.3(5) . . ?
C31 N3 Cd5 116.9(5) . . ?
C37 N4 C36 114.5(7) . . ?
C37 N4 Eu5 128.3(5) . . ?
C36 N4 Eu5 117.1(5) . . ?
C52 N5 C53 119.4(7) . . ?
C52 N5 Cd7 126.7(5) . . ?
C53 N5 Cd7 113.8(5) . . ?
C59 N6 C58 116.3(7) . . ?
C59 N6 Cd16 126.4(5) . . ?
C58 N6 Cd16 116.7(5) . . ?
C74 N7 C75 115.3(6) . . ?
C74 N7 Eu2 126.2(5) . . ?
C75 N7 Eu2 117.7(4) . . ?
C81 N8 C80 118.0(7) . . ?
C81 N8 Cd18 125.6(6) . . ?
C80 N8 Cd18 115.2(5) . . ?
C96 N9 C97 118.1(7) . . ?
C96 N9 Cd8 125.2(6) . . ?
C97 N9 Cd8 116.4(5) . . ?
C103 N10 C102 113.6(8) . . ?
C103 N10 Eu6 128.2(6) . . ?
C102 N10 Eu6 118.2(5) . . ?
C118 N11 C119 117.3(9) . . ?
C118 N11 Cd1 127.2(6) . . ?
C119 N11 Cd1 115.5(6) . . ?
C125 N12 C124 119.4(8) . . ?
C125 N12 Cd12 125.0(6) . . ?
C124 N12 Cd12 115.4(6) . . ?
C140 N13 C141 114.6(8) . . ?
C140 N13 Eu3 124.8(6) . . ?
C141 N13 Eu3 119.6(5) . . ?
C147 N14 C146 116.1(8) . . ?
C147 N14 Cd13 123.8(7) . . ?
C146 N14 Cd13 118.9(6) . . ?
C162 N15 C163 118.4(7) . . ?
C162 N15 Cd2 124.5(5) . . ?
C163 N15 Cd2 116.2(4) . . ?
C169 N16 C168 113.7(8) . . ?
C169 N16 Eu4 127.2(6) . . ?
C168 N16 Eu4 118.5(5) . . ?
C184 N17 C185 117.4(7) . . ?
C184 N17 Cd3 128.3(6) . . ?
C185 N17 Cd3 114.3(5) . . ?
C191 N18 C190 116.5(8) . . ?
C191 N18 Cd14 126.7(7) . . ?
C190 N18 Cd14 116.8(5) . . ?
C2 O1 C1 118.4(7) . . ?
C2 O1 Cd3 113.9(4) . . ?
C1 O1 Cd3 121.7(5) . . ?
C7 O2 Eu1 131.7(5) . . ?
C7 O2 Cd3 120.8(5) . . ?
Eu1 O2 Cd3 106.0(3) . . ?
C21 O3 Eu5 122.3(4) . . ?
C21 O3 Cd15 125.2(4) . . ?
Eu5 O3 Cd15 112.4(3) . . ?
C20 O4 C22 119.1(7) . . ?
C20 O4 Eu5 114.5(4) . . ?
C22 O4 Eu5 126.3(5) . . ?
C24 O5 C23 115.6(6) . . ?
C24 O5 Eu1 115.0(4) . . ?
C23 O5 Eu1 129.4(4) . . ?
C29 O6 Eu1 124.4(4) . . ?
C29 O6 Cd5 125.0(4) . . ?
Eu1 O6 Cd5 110.4(3) . . ?
C43 O7 Eu5 138.5(5) . . ?
C43 O7 Cd16 117.2(5) . . ?
Eu5 O7 Cd16 104.1(3) . . ?
C42 O8 C44 116.6(7) . . ?
C42 O8 Cd16 109.1(5) . . ?
C44 O8 Cd16 126.1(6) . . ?
C46 O9 C45 119.7(7) . . ?
C46 O9 Cd6 115.5(4) . . ?
C45 O9 Cd6 124.1(6) . . ?
C51 O10 Cd7 132.4(5) . . ?
C51 O10 Cd6 122.1(5) . . ?
Cd7 O10 Cd6 104.9(3) . . ?
C65 O11 Cd16 127.2(5) . . ?
C65 O11 Cd17 121.1(5) . . ?
Cd16 O11 Cd17 102.9(3) . . ?
C64 O12 C66 114.3(8) . . ?
C64 O12 Cd17 114.3(5) . . ?
C66 O12 Cd17 119.5(6) . . ?
C68 O13 C67 117.6(7) . . ?
C68 O13 Cd7 113.0(5) . . ?
C67 O13 Cd7 124.4(5) . . ?
C73 O14 Eu2 132.8(4) . . ?
C73 O14 Cd7 119.7(4) . . ?
Eu2 O14 Cd7 105.9(3) . . ?
C87 O15 Eu6 123.6(5) . . ?
C87 O15 Cd18 127.8(5) . . ?
Eu6 O15 Cd18 108.6(3) . . ?
C86 O16 C88 116.5(7) . . ?
C86 O16 Eu6 114.4(5) . . ?
C88 O16 Eu6 129.1(5) . . ?
C90 O17 C89 116.2(6) . . ?
C90 O17 Eu2 114.9(4) . . ?
C89 O17 Eu2 128.9(5) . . ?
C95 O18 Eu2 125.0(5) . . ?
C95 O18 Cd8 125.9(5) . . ?
Eu2 O18 Cd8 109.0(3) . . ?
C109 O19 Eu6 136.7(6) . . ?
C109 O19 Cd12 116.9(6) . . ?
Eu6 O19 Cd12 106.0(3) . . ?
C108 O20 C110 119.2(9) . . ?
C108 O20 Cd12 111.5(5) . . ?
C110 O20 Cd12 122.5(7) . . ?
C112 O21 C111 118.7(8) . . ?
C112 O21 Cd9 116.8(5) . . ?
C111 O21 Cd9 123.2(6) . . ?
C117 O22 Cd9 123.1(5) . . ?
C117 O22 Cd1 131.0(5) . . ?
Cd9 O22 Cd1 105.9(3) . . ?
C131 O23 Cd12 130.6(6) . . ?
C131 O23 Cd10 122.8(6) . . ?
Cd12 O23 Cd10 105.3(4) . . ?
C130 O24 C132 119.0(12) . . ?
C130 O24 Cd10 113.7(7) . . ?
C132 O24 Cd10 125.3(10) . . ?
C134 O25 C133 118.0(7) . . ?
C134 O25 Cd1 113.1(5) . . ?
C133 O25 Cd1 118.3(5) . . ?
C139 O26 Eu3 131.5(5) . . ?
C139 O26 Cd1 119.9(5) . . ?
Eu3 O26 Cd1 105.8(3) . . ?
C153 O27 Eu4 125.8(6) . . ?
C153 O27 Cd13 125.5(6) . . ?
Eu4 O27 Cd13 108.8(3) . . ?
C152 O28 C154 117.9(6) . . ?
C152 O28 Eu4 113.6(6) . . ?
C154 O28 Eu4 128.5(6) . . ?
C156 O29 C155 116.3(7) . . ?
C156 O29 Eu3 113.4(5) . . ?
C155 O29 Eu3 130.3(6) . . ?
C161 O30 Eu3 123.5(5) . . ?
C161 O30 Cd2 125.7(5) . . ?
Eu3 O30 Cd2 110.7(3) . . ?
C175 O31 Eu4 135.6(5) . . ?
C175 O31 Cd14 119.6(5) . . ?
Eu4 O31 Cd14 103.8(3) . . ?
C174 O32 C176 116.5(8) . . ?
C174 O32 Cd14 113.8(5) . . ?
C176 O32 Cd14 123.3(5) . . ?
C178 O33 C177 120.3(7) . . ?
C178 O33 Cd4 116.0(5) . . ?
C177 O33 Cd4 123.6(5) . . ?
C183 O34 Cd4 122.9(4) . . ?
C183 O34 Cd3 131.1(5) . . ?
Cd4 O34 Cd3 106.0(3) . . ?
C197 O35 Cd14 129.4(6) . . ?
C197 O35 Cd11 125.8(6) . . ?
Cd14 O35 Cd11 103.7(3) . . ?
C196 O36 C198 118.9(9) . . ?
C196 O36 Cd11 115.6(6) . . ?
C198 O36 Cd11 125.0(7) . . ?
C200 O37 Eu1 143.8(4) . . ?
C200 O38 Cd5 130.5(4) . . ?
C202 O39 Eu1 151.2(7) . . ?
C202 O39 Cd5 86.2(8) . . ?
Eu1 O39 Cd5 99.1(3) . . ?
C202 O40 Cd5 99.1(7) . . ?
C204 O41 Cd6 89.3(6) . . ?
C204 O41 Cd5 131.6(6) . . ?
Cd6 O41 Cd5 126.4(3) . . ?
C204 O42 Cd6 91.6(5) . . ?
C206 O43 Cd5 126.8(5) . . ?
C206 O44 Cd7 102.8(5) . . ?
C206 O44 Eu2 147.3(5) . . ?
Cd7 O44 Eu2 103.7(3) . . ?
C208 O45 Cd7 124.2(5) . . ?
C208 O45 Cd6 132.0(5) . . ?
Cd7 O45 Cd6 103.8(3) . . ?
C208 O46 Eu2 148.8(5) . . ?
C210 O47 Eu2 145.2(5) . . ?
C210 O48 Cd8 129.1(5) . . ?
C212 O49 Cd8 126.1(6) . . ?
C212 O50 Cd1 105.1(5) . . ?
C212 O50 Eu3 143.6(6) . . ?
Cd1 O50 Eu3 101.8(3) . . ?
C214 O51 Cd9 90.5(6) . . ?
C214 O51 Cd8 137.8(7) . . ?
Cd9 O51 Cd8 131.3(4) . . ?
C214 O52 Cd9 96.2(6) . . ?
C216 O53 Cd1 121.3(6) . . ?
C216 O53 Cd9 134.1(6) . . ?
Cd1 O53 Cd9 103.8(3) . . ?
C216 O54 Eu3 147.6(6) . . ?
C218 O55 Eu3 145.3(5) . . ?
C218 O56 Cd2 128.8(5) . . ?
C220 O57 Cd2 125.0(5) . . ?
C220 O58 Cd3 106.0(5) . . ?
C220 O58 Eu1 144.2(5) . . ?
Cd3 O58 Eu1 104.6(3) . . ?
C222 O59 Cd2 132.0(5) . . ?
C222 O59 Cd4 84.8(5) . . ?
Cd2 O59 Cd4 140.6(4) . . ?
C222 O60 Cd4 98.7(5) . . ?
C224 O61 Cd3 126.2(5) . . ?
C224 O61 Cd4 130.0(5) . . ?
Cd3 O61 Cd4 103.4(3) . . ?
C224 O62 Eu1 145.0(5) . . ?
C236 O63 Eu4 147.6(5) . . ?
C236 O64 Cd13 123.9(5) . . ?
C240 O65 Cd13 136.8(8) . . ?
C240 O65 Cd10 84.3(8) . . ?
Cd13 O65 Cd10 138.4(4) . . ?
C240 O66 Cd10 101.9(8) . . ?
C246 O67 Cd10 135.3(6) . . ?
C246 O67 Cd12 122.3(6) . . ?
Cd10 O67 Cd12 101.9(4) . . ?
C246 O68 Eu6 149.0(6) . . ?
C242 O69 Eu6 142.9(5) . . ?
C242 O70 Cd18 127.5(5) . . ?
C244 O71 Eu6 147.5(6) . . ?
C244 O71 Cd18 93.0(6) . . ?
Eu6 O71 Cd18 102.4(3) . . ?
C244 O72 Cd18 93.7(6) . . ?
C250 O73 Cd18 124.4(5) . . ?
C250 O74 Cd16 103.0(5) . . ?
C250 O74 Eu5 148.0(5) . . ?
Cd16 O74 Eu5 103.2(3) . . ?
C248 O75 Cd18 131.5(6) . . ?
C248 O75 Cd17 89.1(6) . . ?
Cd18 O75 Cd17 134.8(3) . . ?
C248 O76 Cd17 96.7(6) . . ?
C252 O77 Cd16 122.1(5) . . ?
C252 O77 Cd17 135.9(5) . . ?
Cd16 O77 Cd17 101.8(3) . . ?
C252 O78 Eu5 146.8(6) . . ?
C238 O79 Cd12 104.6(5) . . ?
C238 O79 Eu6 148.5(6) . . ?
Cd12 O79 Eu6 102.5(3) . . ?
C238 O80 Cd13 129.7(5) . . ?
C256 O81 Eu5 146.2(7) . . ?
C256 O82 Cd15 105.4(7) . . ?
C254 O83 Eu5 143.5(5) . . ?
C254 O84 Cd15 129.7(5) . . ?
C258 O85 Cd11 91.1(8) . . ?
C258 O85 Cd15 135.5(8) . . ?
Cd11 O85 Cd15 128.9(5) . . ?
C258 O86 Cd11 95.1(8) . . ?
C260 O87 Eu4 145.6(6) . . ?
C260 O88 Cd14 122.9(6) . . ?
C260 O88 Cd11 135.9(6) . . ?
Cd14 O88 Cd11 100.9(3) . . ?
C262 O89 Cd14 104.6(5) . . ?
C262 O89 Eu4 146.6(5) . . ?
Cd14 O89 Eu4 102.1(3) . . ?
C262 O90 Cd15 123.6(5) . . ?
C264 O91 Eu2 146.8(12) . . ?
C264 O91 Cd8 82.2(6) . . ?
Eu2 O91 Cd8 90.5(4) . . ?
C264 O92 Cd8 108.6(7) . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C3 C2 O1 124.0(10) . . ?
C3 C2 C7 122.1(10) . . ?
O1 C2 C7 113.9(9) . . ?
C4 C3 C2 119.3(11) . . ?
C4 C3 H3A 120.4 . . ?
C2 C3 H3A 120.4 . . ?
C3 C4 C5 120.8(11) . . ?
C3 C4 H4A 119.6 . . ?
C5 C4 H4A 119.6 . . ?
C6 C5 C4 119.2(11) . . ?
C6 C5 H5A 120.4 . . ?
C4 C5 H5A 120.4 . . ?
C5 C6 C7 121.8(11) . . ?
C5 C6 C8 116.6(10) . . ?
C7 C6 C8 121.5(10) . . ?
O2 C7 C6 124.9(9) . . ?
O2 C7 C2 118.6(9) . . ?
C6 C7 C2 116.5(9) . . ?
N1 C8 C6 129.8(9) . . ?
N1 C8 H8A 115.1 . . ?
C6 C8 H8A 115.1 . . ?
N1 C9 C10 112.5(8) . . ?
N1 C9 H9A 109.1 . . ?
C10 C9 H9A 109.1 . . ?
N1 C9 H9B 109.1 . . ?
C10 C9 H9B 109.1 . . ?
H9A C9 H9B 107.8 . . ?
C9 C10 C11 111.4(8) . . ?
C9 C10 H10A 109.3 . . ?
C11 C10 H10A 109.3 . . ?
C9 C10 H10B 109.3 . . ?
C11 C10 H10B 109.3 . . ?
H10A C10 H10B 108.0 . . ?
C12 C11 C10 113.1(8) . . ?
C12 C11 H11A 109.0 . . ?
C10 C11 H11A 109.0 . . ?
C12 C11 H11B 109.0 . . ?
C10 C11 H11B 109.0 . . ?
H11A C11 H11B 107.8 . . ?
C11 C12 C13 113.0(8) . . ?
C11 C12 H12A 109.0 . . ?
C13 C12 H12A 109.0 . . ?
C11 C12 H12B 109.0 . . ?
C13 C12 H12B 109.0 . . ?
H12A C12 H12B 107.8 . . ?
C14 C13 C12 111.6(9) . . ?
C14 C13 H13A 109.3 . . ?
C12 C13 H13A 109.3 . . ?
C14 C13 H13B 109.3 . . ?
C12 C13 H13B 109.3 . . ?
H13A C13 H13B 108.0 . . ?
N2 C14 C13 112.9(7) . . ?
N2 C14 H14A 109.0 . . ?
C13 C14 H14A 109.0 . . ?
N2 C14 H14B 109.0 . . ?
C13 C14 H14B 109.0 . . ?
H14A C14 H14B 107.8 . . ?
N2 C15 C16 127.0(9) . . ?
N2 C15 H15A 116.5 . . ?
C16 C15 H15A 116.5 . . ?
C21 C16 C17 118.4(10) . . ?
C21 C16 C15 127.9(10) . . ?
C17 C16 C15 113.5(10) . . ?
C18 C17 C16 118.5(11) . . ?
C18 C17 H17A 120.7 . . ?
C16 C17 H17A 120.7 . . ?
C19 C18 C17 122.5(12) . . ?
C19 C18 H18A 118.7 . . ?
C17 C18 H18A 118.7 . . ?
C18 C19 C20 118.7(11) . . ?
C18 C19 H19A 120.7 . . ?
C20 C19 H19A 120.7 . . ?
C19 C20 C21 122.8(10) . . ?
C19 C20 O4 124.5(9) . . ?
C21 C20 O4 112.7(8) . . ?
O5 C23 H23A 109.5 . . ?
O5 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
O5 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C25 C24 O5 125.1(9) . . ?
C25 C24 C29 123.1(9) . . ?
O5 C24 C29 111.8(8) . . ?
C24 C25 C26 118.6(10) . . ?
C24 C25 H25A 120.7 . . ?
C26 C25 H25A 120.7 . . ?
C27 C26 C25 120.3(11) . . ?
C27 C26 H26A 119.8 . . ?
C25 C26 H26A 119.8 . . ?
C26 C27 C28 122.0(10) . . ?
C26 C27 H27A 119.0 . . ?
C28 C27 H27A 119.0 . . ?
C27 C28 C29 118.4(9) . . ?
C27 C28 C30 115.5(9) . . ?
C29 C28 C30 125.9(9) . . ?
O6 C29 C28 123.7(8) . . ?
O6 C29 C24 118.9(8) . . ?
C28 C29 C24 117.4(9) . . ?
O6 C29 Eu1 35.8(3) . . ?
C28 C29 Eu1 154.3(7) . . ?
C24 C29 Eu1 84.7(6) . . ?
N3 C30 C28 127.5(9) . . ?
N3 C30 H30A 116.2 . . ?
C28 C30 H30A 116.2 . . ?
N3 C31 C32 111.8(8) . . ?
N3 C31 H31A 109.3 . . ?
C32 C31 H31A 109.3 . . ?
N3 C31 H31B 109.3 . . ?
C32 C31 H31B 109.3 . . ?
H31A C31 H31B 107.9 . . ?
C31 C32 C33 112.8(9) . . ?
C31 C32 H32A 109.0 . . ?
C33 C32 H32A 109.0 . . ?
C31 C32 H32B 109.0 . . ?
C33 C32 H32B 109.0 . . ?
H32A C32 H32B 107.8 . . ?
C32 C33 C34 112.7(9) . . ?
C32 C33 H33A 109.0 . . ?
C34 C33 H33A 109.0 . . ?
C32 C33 H33B 109.0 . . ?
C34 C33 H33B 109.0 . . ?
H33A C33 H33B 107.8 . . ?
C33 C34 C35 112.4(9) . . ?
C33 C34 H34A 109.1 . . ?
C35 C34 H34A 109.1 . . ?
C33 C34 H34B 109.1 . . ?
C35 C34 H34B 109.1 . . ?
H34A C34 H34B 107.8 . . ?
C36 C35 C34 111.9(9) . . ?
C36 C35 H35A 109.2 . . ?
C34 C35 H35A 109.2 . . ?
C36 C35 H35B 109.2 . . ?
C34 C35 H35B 109.2 . . ?
H35A C35 H35B 107.9 . . ?
O4 C22 H22A 109.5 . . ?
O4 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
O4 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C35 C36 N4 112.6(8) . . ?
C35 C36 H36A 109.1 . . ?
N4 C36 H36A 109.1 . . ?
C35 C36 H36B 109.1 . . ?
N4 C36 H36B 109.1 . . ?
H36A C36 H36B 107.8 . . ?
N4 C37 C38 129.4(9) . . ?
N4 C37 H37A 115.3 . . ?
C38 C37 H37A 115.3 . . ?
C43 C38 C39 118.4(10) . . ?
C43 C38 C37 123.8(10) . . ?
C39 C38 C37 117.8(10) . . ?
C40 C39 C38 119.5(11) . . ?
C40 C39 H39A 120.3 . . ?
C38 C39 H39A 120.3 . . ?
C41 C40 C39 122.1(12) . . ?
C41 C40 H40A 119.0 . . ?
C39 C40 H40A 119.0 . . ?
C40 C41 C42 119.6(11) . . ?
C40 C41 H41A 120.2 . . ?
C42 C41 H41A 120.2 . . ?
C41 C42 O8 124.6(10) . . ?
C41 C42 C43 121.3(11) . . ?
O8 C42 C43 114.1(9) . . ?
O7 C43 C38 121.8(9) . . ?
O7 C43 C42 119.4(9) . . ?
C38 C43 C42 118.9(10) . . ?
O8 C44 H44A 109.5 . . ?
O8 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
O8 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
O9 C45 H45A 109.5 . . ?
O9 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
O9 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C47 C46 O9 122.5(9) . . ?
C47 C46 C51 123.8(11) . . ?
O9 C46 C51 113.7(9) . . ?
C46 C47 C48 119.1(12) . . ?
C46 C47 H47A 120.5 . . ?
C48 C47 H47A 120.5 . . ?
C47 C48 C49 119.7(12) . . ?
C47 C48 H48A 120.1 . . ?
C49 C48 H48A 120.1 . . ?
C48 C49 C50 121.0(12) . . ?
C48 C49 H49A 119.5 . . ?
C50 C49 H49A 119.5 . . ?
C51 C50 C49 119.6(11) . . ?
C51 C50 C52 124.5(10) . . ?
C49 C50 C52 115.8(11) . . ?
O3 C21 C20 118.6(8) . . ?
O3 C21 C16 122.6(9) . . ?
C20 C21 C16 118.8(9) . . ?
O3 C21 Eu5 36.9(3) . . ?
C20 C21 Eu5 84.4(6) . . ?
C16 C21 Eu5 153.4(7) . . ?
O10 C51 C50 124.2(9) . . ?
O10 C51 C46 119.1(10) . . ?
C50 C51 C46 116.8(10) . . ?
N5 C52 C50 130.3(10) . . ?
N5 C52 H52A 114.9 . . ?
C50 C52 H52A 114.9 . . ?
N5 C53 C54 109.5(8) . . ?
N5 C53 H53A 109.8 . . ?
C54 C53 H53A 109.8 . . ?
N5 C53 H53B 109.8 . . ?
C54 C53 H53B 109.8 . . ?
H53A C53 H53B 108.2 . . ?
C55 C54 C53 112.0(9) . . ?
C55 C54 H54A 109.2 . . ?
C53 C54 H54A 109.2 . . ?
C55 C54 H54B 109.2 . . ?
C53 C54 H54B 109.2 . . ?
H54A C54 H54B 107.9 . . ?
C54 C55 C56 109.6(9) . . ?
C54 C55 H55A 109.8 . . ?
C56 C55 H55A 109.8 . . ?
C54 C55 H55B 109.8 . . ?
C56 C55 H55B 109.8 . . ?
H55A C55 H55B 108.2 . . ?
C57 C56 C55 114.8(10) . . ?
C57 C56 H56A 108.6 . . ?
C55 C56 H56A 108.6 . . ?
C57 C56 H56B 108.6 . . ?
C55 C56 H56B 108.6 . . ?
H56A C56 H56B 107.5 . . ?
C58 C57 C56 114.7(10) . . ?
C58 C57 H57A 108.6 . . ?
C56 C57 H57A 108.6 . . ?
C58 C57 H57B 108.6 . . ?
C56 C57 H57B 108.6 . . ?
H57A C57 H57B 107.6 . . ?
C57 C58 N6 110.6(8) . . ?
C57 C58 H58A 109.5 . . ?
N6 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
N6 C58 H58B 109.5 . . ?
H58A C58 H58B 108.1 . . ?
N6 C59 C60 127.5(10) . . ?
N6 C59 H59A 116.2 . . ?
C60 C59 H59A 116.2 . . ?
C61 C60 C65 118.4(11) . . ?
C61 C60 C59 115.2(10) . . ?
C65 C60 C59 126.4(11) . . ?
C62 C61 C60 121.0(12) . . ?
C62 C61 H61A 119.5 . . ?
C60 C61 H61A 119.5 . . ?
C63 C62 C61 121.6(13) . . ?
C63 C62 H62A 119.2 . . ?
C61 C62 H62A 119.2 . . ?
C62 C63 C64 121.0(12) . . ?
C62 C63 H63A 119.5 . . ?
C64 C63 H63A 119.5 . . ?
O12 C64 C63 128.0(11) . . ?
O12 C64 C65 112.0(10) . . ?
C63 C64 C65 119.9(12) . . ?
O11 C65 C60 124.1(10) . . ?
O11 C65 C64 118.3(10) . . ?
C60 C65 C64 117.6(11) . . ?
O12 C66 H66A 109.5 . . ?
O12 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
O12 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
O13 C67 H67A 109.5 . . ?
O13 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
O13 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C69 C68 O13 125.3(9) . . ?
C69 C68 C73 121.4(10) . . ?
O13 C68 C73 113.3(8) . . ?
C68 C69 C70 119.8(10) . . ?
C68 C69 H69A 120.1 . . ?
C70 C69 H69A 120.1 . . ?
C71 C70 C69 120.9(11) . . ?
C71 C70 H70A 119.5 . . ?
C69 C70 H70A 119.5 . . ?
C70 C71 C72 120.9(10) . . ?
C70 C71 H71A 119.6 . . ?
C72 C71 H71A 119.6 . . ?
C73 C72 C71 119.4(10) . . ?
C73 C72 C74 122.5(9) . . ?
C71 C72 C74 118.0(9) . . ?
O14 C73 C72 123.3(9) . . ?
O14 C73 C68 119.2(8) . . ?
C72 C73 C68 117.5(9) . . ?
N7 C74 C72 129.0(8) . . ?
N7 C74 H74A 115.5 . . ?
C72 C74 H74A 115.5 . . ?
N7 C75 C76 111.7(8) . . ?
N7 C75 H75A 109.3 . . ?
C76 C75 H75A 109.3 . . ?
N7 C75 H75B 109.3 . . ?
C76 C75 H75B 109.3 . . ?
H75A C75 H75B 107.9 . . ?
C77 C76 C75 112.1(9) . . ?
C77 C76 H76A 109.2 . . ?
C75 C76 H76A 109.2 . . ?
C77 C76 H76B 109.2 . . ?
C75 C76 H76B 109.2 . . ?
H76A C76 H76B 107.9 . . ?
C76 C77 C78 113.8(9) . . ?
C76 C77 H77A 108.8 . . ?
C78 C77 H77A 108.8 . . ?
C76 C77 H77B 108.8 . . ?
C78 C77 H77B 108.8 . . ?
H77A C77 H77B 107.7 . . ?
C79 C78 C77 113.3(9) . . ?
C79 C78 H78A 108.9 . . ?
C77 C78 H78A 108.9 . . ?
C79 C78 H78B 108.9 . . ?
C77 C78 H78B 108.9 . . ?
H78A C78 H78B 107.7 . . ?
C78 C79 C80 109.6(9) . . ?
C78 C79 H79A 109.7 . . ?
C80 C79 H79A 109.7 . . ?
C78 C79 H79B 109.7 . . ?
C80 C79 H79B 109.7 . . ?
H79A C79 H79B 108.2 . . ?
N8 C80 C79 110.2(8) . . ?
N8 C80 H80A 109.6 . . ?
C79 C80 H80A 109.6 . . ?
N8 C80 H80B 109.6 . . ?
C79 C80 H80B 109.6 . . ?
H80A C80 H80B 108.1 . . ?
N8 C81 C82 126.8(10) . . ?
N8 C81 H81A 116.6 . . ?
C82 C81 H81A 116.6 . . ?
C87 C82 C83 118.7(10) . . ?
C87 C82 C81 126.6(10) . . ?
C83 C82 C81 114.3(10) . . ?
C84 C83 C82 120.7(12) . . ?
C84 C83 H83A 119.7 . . ?
C82 C83 H83A 119.7 . . ?
C83 C84 C85 121.8(11) . . ?
C83 C84 H84A 119.1 . . ?
C85 C84 H84A 119.1 . . ?
C86 C85 C84 117.1(11) . . ?
C86 C85 H85A 121.4 . . ?
C84 C85 H85A 121.4 . . ?
O16 C86 C85 124.3(10) . . ?
O16 C86 C87 112.8(8) . . ?
C85 C86 C87 122.9(11) . . ?
O15 C87 C82 123.2(9) . . ?
O15 C87 C86 118.0(9) . . ?
C82 C87 C86 118.8(9) . . ?
O15 C87 Eu6 36.2(3) . . ?
C82 C87 Eu6 153.9(7) . . ?
C86 C87 Eu6 83.9(6) . . ?
O16 C88 H88A 109.5 . . ?
O16 C88 H88B 109.5 . . ?
H88A C88 H88B 109.5 . . ?
O16 C88 H88C 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
O17 C89 H89A 109.5 . . ?
O17 C89 H89B 109.5 . . ?
H89A C89 H89B 109.5 . . ?
O17 C89 H89C 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
C91 C90 O17 125.3(10) . . ?
C91 C90 C95 122.6(10) . . ?
O17 C90 C95 112.2(8) . . ?
C90 C91 C92 120.1(11) . . ?
C90 C91 H91A 120.0 . . ?
C92 C91 H91A 120.0 . . ?
C93 C92 C91 117.4(11) . . ?
C93 C92 H92A 121.3 . . ?
C91 C92 H92A 121.3 . . ?
C92 C93 C94 123.6(11) . . ?
C92 C93 H93A 118.2 . . ?
C94 C93 H93A 118.2 . . ?
C95 C94 C93 118.9(10) . . ?
C95 C94 C96 124.9(10) . . ?
C93 C94 C96 116.1(10) . . ?
O18 C95 C94 124.8(9) . . ?
O18 C95 C90 117.7(9) . . ?
C94 C95 C90 117.4(9) . . ?
O18 C95 Eu2 35.4(3) . . ?
C94 C95 Eu2 154.4(8) . . ?
C90 C95 Eu2 84.2(6) . . ?
N9 C96 C94 129.3(10) . . ?
N9 C96 H96A 115.4 . . ?
C94 C96 H96A 115.4 . . ?
N9 C97 C98 111.8(9) . . ?
N9 C97 H97A 109.3 . . ?
C98 C97 H97A 109.3 . . ?
N9 C97 H97B 109.3 . . ?
C98 C97 H97B 109.3 . . ?
H97A C97 H97B 107.9 . . ?
C97 C98 C99 110.6(10) . . ?
C97 C98 H98A 109.5 . . ?
C99 C98 H98A 109.5 . . ?
C97 C98 H98B 109.5 . . ?
C99 C98 H98B 109.5 . . ?
H98A C98 H98B 108.1 . . ?
C98 C99 C100 113.1(10) . . ?
C98 C99 H99A 109.0 . . ?
C100 C99 H99A 109.0 . . ?
C98 C99 H99B 109.0 . . ?
C100 C99 H99B 109.0 . . ?
H99A C99 H99B 107.8 . . ?
C101 C100 C99 111.1(10) . . ?
C101 C100 H10C 109.4 . . ?
C99 C100 H10C 109.4 . . ?
C101 C100 H10D 109.4 . . ?
C99 C100 H10D 109.4 . . ?
H10C C100 H10D 108.0 . . ?
C100 C101 C102 110.5(10) . . ?
C100 C101 H10E 109.5 . . ?
C102 C101 H10E 109.5 . . ?
C100 C101 H10F 109.5 . . ?
C102 C101 H10F 109.5 . . ?
H10E C101 H10F 108.1 . . ?
N10 C102 C101 110.3(9) . . ?
N10 C102 H10G 109.6 . . ?
C101 C102 H10G 109.6 . . ?
N10 C102 H10H 109.6 . . ?
C101 C102 H10H 109.6 . . ?
H10G C102 H10H 108.1 . . ?
N10 C103 C104 127.0(12) . . ?
N10 C103 H10I 116.5 . . ?
C104 C103 H10I 116.5 . . ?
C109 C104 C103 125.0(13) . . ?
C109 C104 C105 119.3(13) . . ?
C103 C104 C105 115.7(13) . . ?
C106 C105 C104 118.5(16) . . ?
C106 C105 H10J 120.8 . . ?
C104 C105 H10J 120.8 . . ?
C105 C106 C107 121.6(17) . . ?
C105 C106 H10K 119.2 . . ?
C107 C106 H10K 119.2 . . ?
C108 C107 C106 119.4(16) . . ?
C108 C107 H10L 120.3 . . ?
C106 C107 H10L 120.3 . . ?
C107 C108 O20 124.8(13) . . ?
C107 C108 C109 123.1(14) . . ?
O20 C108 C109 112.1(11) . . ?
O19 C109 C108 120.9(13) . . ?
O19 C109 C104 121.0(12) . . ?
C108 C109 C104 118.0(13) . . ?
O20 C110 H11C 109.5 . . ?
O20 C110 H11D 109.5 . . ?
H11C C110 H11D 109.5 . . ?
O20 C110 H11E 109.5 . . ?
H11C C110 H11E 109.5 . . ?
H11D C110 H11E 109.5 . . ?
O21 C111 H11F 109.5 . . ?
O21 C111 H11G 109.5 . . ?
H11F C111 H11G 109.5 . . ?
O21 C111 H11H 109.5 . . ?
H11F C111 H11H 109.5 . . ?
H11G C111 H11H 109.5 . . ?
C113 C112 O21 124.8(12) . . ?
C113 C112 C117 121.7(13) . . ?
O21 C112 C117 113.5(11) . . ?
C112 C113 C114 121.0(14) . . ?
C112 C113 H11I 119.5 . . ?
C114 C113 H11I 119.5 . . ?
C115 C114 C113 118.2(14) . . ?
C115 C114 H11J 120.9 . . ?
C113 C114 H11J 120.9 . . ?
C114 C115 C116 122.5(14) . . ?
C114 C115 H11K 118.7 . . ?
C116 C115 H11K 118.7 . . ?
C115 C116 C117 117.6(12) . . ?
C115 C116 C118 116.9(12) . . ?
C117 C116 C118 125.1(11) . . ?
O22 C117 C116 123.5(10) . . ?
O22 C117 C112 117.6(11) . . ?
C116 C117 C112 118.9(11) . . ?
N11 C118 C116 130.4(11) . . ?
N11 C118 H11L 114.8 . . ?
C116 C118 H11L 114.8 . . ?
C120 C119 N11 109.6(11) . . ?
C120 C119 H11M 109.7 . . ?
N11 C119 H11M 109.7 . . ?
C120 C119 H11N 109.7 . . ?
N11 C119 H11N 109.7 . . ?
H11M C119 H11N 108.2 . . ?
C119 C120 C121 110.0(13) . . ?
C119 C120 C268 142(2) . . ?
C121 C120 C268 38.5(16) . . ?
C119 C120 H12C 109.7 . . ?
C121 C120 H12C 109.7 . . ?
C268 C120 H12C 76.2 . . ?
C119 C120 H12D 109.7 . . ?
C121 C120 H12D 109.7 . . ?
C268 C120 H12D 103.8 . . ?
H12C C120 H12D 108.2 . . ?
C122 C121 C120 107.7(15) . . ?
C122 C121 H12E 110.2 . . ?
C120 C121 H12E 110.2 . . ?
C122 C121 H12F 110.2 . . ?
C120 C121 H12F 110.2 . . ?
H12E C121 H12F 108.5 . . ?
C121 C122 C123 108.7(16) . . ?
C121 C122 H12G 110.0 . . ?
C123 C122 H12G 110.0 . . ?
C121 C122 H12H 110.0 . . ?
C123 C122 H12H 110.0 . . ?
H12G C122 H12H 108.3 . . ?
C269 C268 C120 103(3) . . ?
C269 C268 H26W 111.2 . . ?
C120 C268 H26W 111.2 . . ?
C269 C268 H26X 111.2 . . ?
C120 C268 H26X 111.2 . . ?
H26W C268 H26X 109.1 . . ?
C268 C269 C123 97(3) . . ?
C268 C269 H26Y 112.3 . . ?
C123 C269 H26Y 112.3 . . ?
C268 C269 H26Z 112.3 . . ?
C123 C269 H26Z 112.3 . . ?
H26Y C269 H26Z 109.9 . . ?
C150 C149 C148 115(3) . . ?
C150 C149 H14Q 122.5 . . ?
C148 C149 H14Q 122.5 . . ?
C149 C150 C151 123(3) . . ?
C149 C150 H15B 118.6 . . ?
C151 C150 H15B 118.6 . . ?
C152 C151 C150 122(2) . . ?
C152 C151 H15D 118.9 . . ?
C150 C151 H15D 118.9 . . ?
C266 C265 C148 126(3) . . ?
C266 C265 H26E 116.8 . . ?
C148 C265 H26E 116.8 . . ?
C265 C266 C267 122(3) . . ?
C265 C266 H26F 118.8 . . ?
C267 C266 H26F 118.8 . . ?
C266 C267 C152 112(2) . . ?
C266 C267 H26G 123.8 . . ?
C152 C267 H26G 123.8 . . ?
C124 C123 C122 124.9(16) . . ?
C124 C123 C269 91(2) . . ?
C122 C123 C269 39.7(15) . . ?
C124 C123 H12I 117.5 . . ?
C122 C123 H12I 117.5 . . ?
C269 C123 H12I 144.1 . . ?
C123 C124 N12 113.1(12) . . ?
C123 C124 H12J 109.0 . . ?
N12 C124 H12J 109.0 . . ?
C123 C124 H12K 109.0 . . ?
N12 C124 H12K 109.0 . . ?
H12J C124 H12K 107.8 . . ?
N12 C125 C126 129.3(11) . . ?
N12 C125 H12L 115.4 . . ?
C126 C125 H12L 115.4 . . ?
C127 C126 C131 120.4(16) . . ?
C127 C126 C125 112.2(15) . . ?
C131 C126 C125 126.7(12) . . ?
C126 C127 C128 120(2) . . ?
C126 C127 H12M 120.2 . . ?
C128 C127 H12M 120.2 . . ?
C127 C128 C129 116(3) . . ?
C127 C128 H12O 122.0 . . ?
C129 C128 H12O 122.0 . . ?
C130 C129 C128 125(3) . . ?
C130 C129 H12Q 117.4 . . ?
C128 C129 H12Q 117.4 . . ?
C129 C130 O24 124.3(18) . . ?
C129 C130 C131 117.3(19) . . ?
O24 C130 C131 118.4(14) . . ?
O23 C131 C130 114.3(12) . . ?
O23 C131 C126 124.2(11) . . ?
C130 C131 C126 121.4(13) . . ?
O24 C132 H13C 109.5 . . ?
O24 C132 H13D 109.5 . . ?
H13C C132 H13D 109.5 . . ?
O24 C132 H13E 109.5 . . ?
H13C C132 H13E 109.5 . . ?
H13D C132 H13E 109.5 . . ?
O25 C133 H13F 109.5 . . ?
O25 C133 H13G 109.5 . . ?
H13F C133 H13G 109.5 . . ?
O25 C133 H13H 109.5 . . ?
H13F C133 H13H 109.5 . . ?
H13G C133 H13H 109.5 . . ?
O25 C134 C135 123.8(11) . . ?
O25 C134 C139 116.1(9) . . ?
C135 C134 C139 119.9(12) . . ?
C134 C135 C136 119.3(13) . . ?
C134 C135 H13I 120.4 . . ?
C136 C135 H13I 120.4 . . ?
C137 C136 C135 119.2(13) . . ?
C137 C136 H13J 120.4 . . ?
C135 C136 H13J 120.4 . . ?
C136 C137 C138 121.8(13) . . ?
C136 C137 H13K 119.1 . . ?
C138 C137 H13K 119.1 . . ?
C139 C138 C137 120.1(11) . . ?
C139 C138 C140 124.6(11) . . ?
C137 C138 C140 115.3(12) . . ?
O26 C139 C138 122.9(10) . . ?
O26 C139 C134 117.5(10) . . ?
C138 C139 C134 119.6(11) . . ?
N13 C140 C138 126.7(11) . . ?
N13 C140 H14C 116.6 . . ?
C138 C140 H14C 116.6 . . ?
N13 C141 C142 112.9(8) . . ?
N13 C141 H14D 109.0 . . ?
C142 C141 H14D 109.0 . . ?
N13 C141 H14E 109.0 . . ?
C142 C141 H14E 109.0 . . ?
H14D C141 H14E 107.8 . . ?
C141 C142 C143 111.3(9) . . ?
C141 C142 H14F 109.4 . . ?
C143 C142 H14F 109.4 . . ?
C141 C142 H14G 109.4 . . ?
C143 C142 H14G 109.4 . . ?
H14F C142 H14G 108.0 . . ?
C144 C143 C142 113.0(9) . . ?
C144 C143 H14H 109.0 . . ?
C142 C143 H14H 109.0 . . ?
C144 C143 H14I 109.0 . . ?
C142 C143 H14I 109.0 . . ?
H14H C143 H14I 107.8 . . ?
C145 C144 C143 114.1(9) . . ?
C145 C144 H14J 108.7 . . ?
C143 C144 H14J 108.7 . . ?
C145 C144 H14K 108.7 . . ?
C143 C144 H14K 108.7 . . ?
H14J C144 H14K 107.6 . . ?
C144 C145 C146 112.1(10) . . ?
C144 C145 H14L 109.2 . . ?
C146 C145 H14L 109.2 . . ?
C144 C145 H14M 109.2 . . ?
C146 C145 H14M 109.2 . . ?
H14L C145 H14M 107.9 . . ?
N14 C146 C145 111.8(9) . . ?
N14 C146 H14N 109.3 . . ?
C145 C146 H14N 109.3 . . ?
N14 C146 H14O 109.3 . . ?
C145 C146 H14O 109.3 . . ?
H14N C146 H14O 107.9 . . ?
N14 C147 C148 127.9(13) . . ?
N14 C147 H14P 116.0 . . ?
C148 C147 H14P 116.0 . . ?
C153 C148 C147 127.5(13) . . ?
C153 C148 C149 120.4(16) . . ?
C147 C148 C149 110.2(17) . . ?
C153 C148 C265 111.4(16) . . ?
C147 C148 C265 115.0(17) . . ?
C149 C148 C265 42.4(14) . . ?
C151 C152 O28 127.7(16) . . ?
C151 C152 C153 114.7(16) . . ?
O28 C152 C153 114.1(10) . . ?
C151 C152 C267 41.3(13) . . ?
O28 C152 C267 118.6(15) . . ?
C153 C152 C267 121.6(15) . . ?
O27 C153 C148 124.3(10) . . ?
O27 C153 C152 115.3(9) . . ?
C148 C153 C152 120.5(9) . . ?
O27 C153 Eu4 34.7(4) . . ?
C148 C153 Eu4 152.8(7) . . ?
C152 C153 Eu4 83.6(6) . . ?
O28 C154 H15F 109.5 . . ?
O28 C154 H15G 109.5 . . ?
H15F C154 H15G 109.5 . . ?
O28 C154 H15H 109.5 . . ?
H15F C154 H15H 109.5 . . ?
H15G C154 H15H 109.5 . . ?
O29 C155 H15I 109.5 . . ?
O29 C155 H15J 109.5 . . ?
H15I C155 H15J 109.5 . . ?
O29 C155 H15K 109.5 . . ?
H15I C155 H15K 109.5 . . ?
H15J C155 H15K 109.5 . . ?
C157 C156 O29 123.8(11) . . ?
C157 C156 C161 122.1(12) . . ?
O29 C156 C161 114.0(9) . . ?
C156 C157 C158 118.3(14) . . ?
C156 C157 H15L 120.8 . . ?
C158 C157 H15L 120.8 . . ?
C159 C158 C157 120.6(14) . . ?
C159 C158 H15M 119.7 . . ?
C157 C158 H15M 119.7 . . ?
C158 C159 C160 122.2(13) . . ?
C158 C159 H15N 118.9 . . ?
C160 C159 H15N 118.9 . . ?
C161 C160 C159 115.9(11) . . ?
C161 C160 C162 125.1(11) . . ?
C159 C160 C162 119.0(12) . . ?
O30 C161 C160 122.8(10) . . ?
O30 C161 C156 116.5(10) . . ?
C160 C161 C156 120.6(11) . . ?
O30 C161 Eu3 35.8(3) . . ?
C160 C161 Eu3 151.1(8) . . ?
C156 C161 Eu3 83.2(7) . . ?
N15 C162 C160 130.7(11) . . ?
N15 C162 H16A 114.7 . . ?
C160 C162 H16A 114.7 . . ?
N15 C163 C164 110.6(8) . . ?
N15 C163 H16B 109.5 . . ?
C164 C163 H16B 109.5 . . ?
N15 C163 H16C 109.5 . . ?
C164 C163 H16C 109.5 . . ?
H16B C163 H16C 108.1 . . ?
C163 C164 C165 110.7(9) . . ?
C163 C164 H16D 109.5 . . ?
C165 C164 H16D 109.5 . . ?
C163 C164 H16E 109.5 . . ?
C165 C164 H16E 109.5 . . ?
H16D C164 H16E 108.1 . . ?
C164 C165 C166 111.6(9) . . ?
C164 C165 H16F 109.3 . . ?
C166 C165 H16F 109.3 . . ?
C164 C165 H16G 109.3 . . ?
C166 C165 H16G 109.3 . . ?
H16F C165 H16G 108.0 . . ?
C167 C166 C165 110.3(10) . . ?
C167 C166 H16H 109.6 . . ?
C165 C166 H16H 109.6 . . ?
C167 C166 H16I 109.6 . . ?
C165 C166 H16I 109.6 . . ?
H16H C166 H16I 108.1 . . ?
C166 C167 C168 111.5(10) . . ?
C166 C167 H16J 109.3 . . ?
C168 C167 H16J 109.3 . . ?
C166 C167 H16K 109.3 . . ?
C168 C167 H16K 109.3 . . ?
H16J C167 H16K 108.0 . . ?
N16 C168 C167 111.7(9) . . ?
N16 C168 H16L 109.3 . . ?
C167 C168 H16L 109.3 . . ?
N16 C168 H16M 109.3 . . ?
C167 C168 H16M 109.3 . . ?
H16L C168 H16M 107.9 . . ?
N16 C169 C170 127.1(12) . . ?
N16 C169 H16N 116.4 . . ?
C170 C169 H16N 116.4 . . ?
C171 C170 C175 119.8(12) . . ?
C171 C170 C169 116.4(13) . . ?
C175 C170 C169 123.7(11) . . ?
C172 C171 C170 121.4(14) . . ?
C172 C171 H17B 119.3 . . ?
C170 C171 H17B 119.3 . . ?
C171 C172 C173 119.2(13) . . ?
C171 C172 H17C 120.4 . . ?
C173 C172 H17C 120.4 . . ?
C174 C173 C172 120.1(12) . . ?
C174 C173 H17D 119.9 . . ?
C172 C173 H17D 119.9 . . ?
O32 C174 C173 124.4(11) . . ?
O32 C174 C175 115.4(11) . . ?
C173 C174 C175 120.1(12) . . ?
O31 C175 C174 118.9(11) . . ?
O31 C175 C170 121.9(10) . . ?
C174 C175 C170 119.2(11) . . ?
O32 C176 H17E 109.5 . . ?
O32 C176 H17F 109.5 . . ?
H17E C176 H17F 109.5 . . ?
O32 C176 H17G 109.5 . . ?
H17E C176 H17G 109.5 . . ?
H17F C176 H17G 109.5 . . ?
O33 C177 H17H 109.5 . . ?
O33 C177 H17I 109.5 . . ?
H17H C177 H17I 109.5 . . ?
O33 C177 H17J 109.5 . . ?
H17H C177 H17J 109.5 . . ?
H17I C177 H17J 109.5 . . ?
C179 C178 O33 123.0(10) . . ?
C179 C178 C183 122.3(12) . . ?
O33 C178 C183 114.7(10) . . ?
C180 C179 C178 118.0(13) . . ?
C180 C179 H17K 121.0 . . ?
C178 C179 H17K 121.0 . . ?
C181 C180 C179 121.6(14) . . ?
C181 C180 H18B 119.2 . . ?
C179 C180 H18B 119.2 . . ?
C180 C181 C182 120.3(13) . . ?
C180 C181 H18C 119.8 . . ?
C182 C181 H18C 119.8 . . ?
C183 C182 C181 118.6(11) . . ?
C183 C182 C184 127.0(10) . . ?
C181 C182 C184 114.4(11) . . ?
O34 C183 C182 123.8(9) . . ?
O34 C183 C178 117.2(9) . . ?
C182 C183 C178 119.0(10) . . ?
N17 C184 C182 127.1(10) . . ?
N17 C184 H18D 116.4 . . ?
C182 C184 H18D 116.4 . . ?
N17 C185 C186 110.1(8) . . ?
N17 C185 H18E 109.6 . . ?
C186 C185 H18E 109.6 . . ?
N17 C185 H18F 109.7 . . ?
C186 C185 H18F 109.6 . . ?
H18E C185 H18F 108.2 . . ?
C185 C186 C187 114.9(10) . . ?
C185 C186 H18G 108.5 . . ?
C187 C186 H18G 108.5 . . ?
C185 C186 H18H 108.5 . . ?
C187 C186 H18H 108.5 . . ?
H18G C186 H18H 107.5 . . ?
C188 C187 C186 110.8(10) . . ?
C188 C187 H18I 109.5 . . ?
C186 C187 H18I 109.5 . . ?
C188 C187 H18J 109.5 . . ?
C186 C187 H18J 109.5 . . ?
H18I C187 H18J 108.1 . . ?
C187 C188 C189 113.2(10) . . ?
C187 C188 H18K 108.9 . . ?
C189 C188 H18K 108.9 . . ?
C187 C188 H18L 108.9 . . ?
C189 C188 H18L 108.9 . . ?
H18K C188 H18L 107.8 . . ?
C190 C189 C188 112.2(10) . . ?
C190 C189 H18M 109.2 . . ?
C188 C189 H18M 109.2 . . ?
C190 C189 H18N 109.2 . . ?
C188 C189 H18N 109.2 . . ?
H18M C189 H18N 107.9 . . ?
N18 C190 C189 108.3(9) . . ?
N18 C190 H19B 110.0 . . ?
C189 C190 H19B 110.0 . . ?
N18 C190 H19C 110.0 . . ?
C189 C190 H19C 110.0 . . ?
H19B C190 H19C 108.4 . . ?
N18 C191 C192 129.2(12) . . ?
N18 C191 H19D 115.4 . . ?
C192 C191 H19D 115.4 . . ?
C197 C192 C193 119.2(12) . . ?
C197 C192 C191 124.8(12) . . ?
C193 C192 C191 115.7(12) . . ?
C194 C193 C192 121.5(15) . . ?
C194 C193 H19E 119.3 . . ?
C192 C193 H19E 119.3 . . ?
C195 C194 C193 119.3(15) . . ?
C195 C194 H19F 120.4 . . ?
C193 C194 H19F 120.4 . . ?
C194 C195 C196 120.7(15) . . ?
C194 C195 H19G 119.6 . . ?
C196 C195 H19G 119.6 . . ?
O36 C196 C195 125.0(13) . . ?
O36 C196 C197 113.2(11) . . ?
C195 C196 C197 121.7(13) . . ?
O35 C197 C192 125.5(11) . . ?
O35 C197 C196 117.2(11) . . ?
C192 C197 C196 117.3(11) . . ?
O36 C198 H19H 109.5 . . ?
O36 C198 H19I 109.5 . . ?
H19H C198 H19I 109.5 . . ?
O36 C198 H19J 109.5 . . ?
H19H C198 H19J 109.5 . . ?
H19I C198 H19J 109.5 . . ?
C200 C199 H19K 109.5 . . ?
C200 C199 H19L 109.5 . . ?
H19K C199 H19L 109.5 . . ?
C200 C199 H19M 109.5 . . ?
H19K C199 H19M 109.5 . . ?
H19L C199 H19M 109.5 . . ?
O38 C200 O37 124.9(8) . . ?
O38 C200 C199 117.2(7) . . ?
O37 C200 C199 117.8(8) . . ?
C202 C201 H20A 109.5 . . ?
C202 C201 H20B 109.5 . . ?
H20A C201 H20B 109.5 . . ?
C202 C201 H20C 109.5 . . ?
H20A C201 H20C 109.5 . . ?
H20B C201 H20C 109.5 . . ?
O39 C202 O40 123.2(12) . . ?
O39 C202 C201 117.6(14) . . ?
O40 C202 C201 118.7(14) . . ?
C204 C203 H20D 109.5 . . ?
C204 C203 H20E 109.5 . . ?
H20D C203 H20E 109.5 . . ?
C204 C203 H20F 109.5 . . ?
H20D C203 H20F 109.5 . . ?
H20E C203 H20F 109.5 . . ?
O42 C204 O41 122.4(10) . . ?
O42 C204 C203 117.9(9) . . ?
O41 C204 C203 119.6(10) . . ?
O42 C204 Cd6 60.3(5) . . ?
O41 C204 Cd6 62.3(5) . . ?
C203 C204 Cd6 175.6(9) . . ?
C206 C205 H20G 109.5 . . ?
C206 C205 H20H 109.5 . . ?
H20G C205 H20H 109.5 . . ?
C206 C205 H20I 109.5 . . ?
H20G C205 H20I 109.5 . . ?
H20H C205 H20I 109.5 . . ?
O43 C206 O44 120.8(8) . . ?
O43 C206 C205 120.9(9) . . ?
O44 C206 C205 118.2(8) . . ?
C208 C207 H20J 109.5 . . ?
C208 C207 H20K 109.5 . . ?
H20J C207 H20K 109.5 . . ?
C208 C207 H20L 109.5 . . ?
H20J C207 H20L 109.5 . . ?
H20K C207 H20L 109.5 . . ?
O46 C208 O45 122.7(8) . . ?
O46 C208 C207 118.5(10) . . ?
O45 C208 C207 118.8(9) . . ?
C210 C209 H20M 109.5 . . ?
C210 C209 H20N 109.5 . . ?
H20M C209 H20N 109.5 . . ?
C210 C209 H20O 109.5 . . ?
H20M C209 H20O 109.5 . . ?
H20N C209 H20O 109.5 . . ?
O48 C210 O47 123.4(8) . . ?
O48 C210 C209 118.7(9) . . ?
O47 C210 C209 117.9(9) . . ?
C212 C211 H21A 109.5 . . ?
C212 C211 H21B 109.5 . . ?
H21A C211 H21B 109.5 . . ?
C212 C211 H21C 109.5 . . ?
H21A C211 H21C 109.5 . . ?
H21B C211 H21C 109.5 . . ?
O49 C212 O50 119.2(10) . . ?
O49 C212 C211 121.9(11) . . ?
O50 C212 C211 118.9(10) . . ?
C214 C213 H21D 109.5 . . ?
C214 C213 H21E 109.5 . . ?
H21D C213 H21E 109.5 . . ?
C214 C213 H21F 109.5 . . ?
H21D C213 H21F 109.5 . . ?
H21E C213 H21F 109.5 . . ?
O51 C214 O52 118.2(11) . . ?
O51 C214 C213 123.9(12) . . ?
O52 C214 C213 117.9(11) . . ?
O51 C214 Cd9 62.3(6) . . ?
O52 C214 Cd9 55.9(5) . . ?
C213 C214 Cd9 173.6(10) . . ?
C216 C215 H21G 109.5 . . ?
C216 C215 H21H 109.5 . . ?
H21G C215 H21H 109.5 . . ?
C216 C215 H21I 109.5 . . ?
H21G C215 H21I 109.5 . . ?
H21H C215 H21I 109.5 . . ?
O54 C216 O53 125.1(11) . . ?
O54 C216 C215 117.8(12) . . ?
O53 C216 C215 116.8(12) . . ?
C218 C217 H21J 109.5 . . ?
C218 C217 H21K 109.5 . . ?
H21J C217 H21K 109.5 . . ?
C218 C217 H21L 109.5 . . ?
H21J C217 H21L 109.5 . . ?
H21K C217 H21L 109.5 . . ?
O56 C218 O55 124.1(8) . . ?
O56 C218 C217 119.2(8) . . ?
O55 C218 C217 116.7(9) . . ?
C220 C219 H21M 109.5 . . ?
C220 C219 H21N 109.5 . . ?
H21M C219 H21N 109.5 . . ?
C220 C219 H21O 109.5 . . ?
H21M C219 H21O 109.5 . . ?
H21N C219 H21O 109.5 . . ?
O57 C220 O58 118.4(8) . . ?
O57 C220 C219 122.0(8) . . ?
O58 C220 C219 119.6(8) . . ?
C222 C221 H22D 109.5 . . ?
C222 C221 H22E 109.5 . . ?
H22D C221 H22E 109.5 . . ?
C222 C221 H22F 109.5 . . ?
H22D C221 H22F 109.5 . . ?
H22E C221 H22F 109.5 . . ?
O59 C222 O60 121.7(9) . . ?
O59 C222 C221 122.1(11) . . ?
O60 C222 C221 116.2(10) . . ?
O59 C222 Cd4 68.2(5) . . ?
O60 C222 Cd4 53.7(4) . . ?
C221 C222 Cd4 169.3(9) . . ?
C224 C223 H22G 109.5 . . ?
C224 C223 H22H 109.5 . . ?
H22G C223 H22H 109.5 . . ?
C224 C223 H22I 109.5 . . ?
H22G C223 H22I 109.5 . . ?
H22H C223 H22I 109.5 . . ?
O62 C224 O61 123.8(8) . . ?
O62 C224 C223 118.6(9) . . ?
O61 C224 C223 117.6(9) . . ?
C236 C235 H23D 109.5 . . ?
C236 C235 H23E 109.5 . . ?
H23D C235 H23E 109.5 . . ?
C236 C235 H23F 109.5 . . ?
H23D C235 H23F 109.5 . . ?
H23E C235 H23F 109.5 . . ?
O64 C236 O63 126.0(9) . . ?
O64 C236 C235 117.4(9) . . ?
O63 C236 C235 116.6(9) . . ?
C238 C237 H23G 109.5 . . ?
C238 C237 H23H 109.5 . . ?
H23G C237 H23H 109.5 . . ?
C238 C237 H23I 109.5 . . ?
H23G C237 H23I 109.5 . . ?
H23H C237 H23I 109.5 . . ?
O79 C238 O80 119.0(9) . . ?
O79 C238 C237 120.4(10) . . ?
O80 C238 C237 120.7(10) . . ?
C240 C239 H23J 109.5 . . ?
C240 C239 H23K 109.5 . . ?
H23J C239 H23K 109.5 . . ?
C240 C239 H23L 109.5 . . ?
H23J C239 H23L 109.5 . . ?
H23K C239 H23L 109.5 . . ?
O65 C240 O66 119.8(14) . . ?
O65 C240 C239 122.0(15) . . ?
O66 C240 C239 117.9(15) . . ?
C242 C241 H24A 109.5 . . ?
C242 C241 H24B 109.5 . . ?
H24A C241 H24B 109.5 . . ?
C242 C241 H24C 109.5 . . ?
H24A C241 H24C 109.5 . . ?
H24B C241 H24C 109.5 . . ?
O70 C242 O69 127.0(9) . . ?
O70 C242 C241 117.2(9) . . ?
O69 C242 C241 115.9(9) . . ?
C244 C243 H24D 109.5 . . ?
C244 C243 H24E 109.5 . . ?
H24D C243 H24E 109.5 . . ?
C244 C243 H24F 109.5 . . ?
H24D C243 H24F 109.5 . . ?
H24E C243 H24F 109.5 . . ?
O71 C244 O72 120.9(10) . . ?
O71 C244 C243 119.6(12) . . ?
O72 C244 C243 119.0(11) . . ?
C246 C245 H24G 109.5 . . ?
C246 C245 H24H 109.5 . . ?
H24G C245 H24H 109.5 . . ?
C246 C245 H24I 109.5 . . ?
H24G C245 H24I 109.5 . . ?
H24H C245 H24I 109.5 . . ?
O68 C246 O67 122.9(11) . . ?
O68 C246 C245 122.9(13) . . ?
O67 C246 C245 114.2(12) . . ?
C248 C247 H24J 109.5 . . ?
C248 C247 H24K 109.5 . . ?
H24J C247 H24K 109.5 . . ?
C248 C247 H24L 109.5 . . ?
H24J C247 H24L 109.5 . . ?
H24K C247 H24L 109.5 . . ?
O75 C248 O76 118.1(10) . . ?
O75 C248 C247 122.5(10) . . ?
O76 C248 C247 119.3(10) . . ?
O75 C248 Cd17 63.1(5) . . ?
O76 C248 Cd17 55.1(5) . . ?
C247 C248 Cd17 174.3(9) . . ?
C250 C249 H24M 109.5 . . ?
C250 C249 H24N 109.5 . . ?
H24M C249 H24N 109.5 . . ?
C250 C249 H24O 109.5 . . ?
H24M C249 H24O 109.5 . . ?
H24N C249 H24O 109.5 . . ?
O73 C250 O74 119.7(9) . . ?
O73 C250 C249 123.1(9) . . ?
O74 C250 C249 117.1(9) . . ?
C252 C251 H25B 109.5 . . ?
C252 C251 H25C 109.5 . . ?
H25B C251 H25C 109.5 . . ?
C252 C251 H25D 109.5 . . ?
H25B C251 H25D 109.5 . . ?
H25C C251 H25D 109.5 . . ?
O78 C252 O77 124.7(10) . . ?
O78 C252 C251 119.3(11) . . ?
O77 C252 C251 116.0(11) . . ?
C254 C253 H25E 109.5 . . ?
C254 C253 H25F 109.5 . . ?
H25E C253 H25F 109.5 . . ?
C254 C253 H25G 109.5 . . ?
H25E C253 H25G 109.5 . . ?
H25F C253 H25G 109.5 . . ?
O84 C254 O83 126.5(9) . . ?
O84 C254 C253 118.1(8) . . ?
O83 C254 C253 115.4(9) . . ?
C256 C255 H25H 109.5 . . ?
C256 C255 H25I 109.5 . . ?
H25H C255 H25I 109.5 . . ?
C256 C255 H25J 109.5 . . ?
H25H C255 H25J 109.5 . . ?
H25I C255 H25J 109.5 . . ?
O81 C256 O82 122.5(12) . . ?
O81 C256 C255 120.1(12) . . ?
O82 C256 C255 117.1(12) . . ?
C258 C257 H25K 109.5 . . ?
C258 C257 H25L 109.5 . . ?
H25K C257 H25L 109.5 . . ?
C258 C257 H25M 109.5 . . ?
H25K C257 H25M 109.5 . . ?
H25L C257 H25M 109.5 . . ?
O86 C258 O85 118.1(14) . . ?
O86 C258 C257 116.6(13) . . ?
O85 C258 C257 125.1(14) . . ?
O86 C258 Cd11 57.1(7) . . ?
O85 C258 Cd11 61.0(7) . . ?
C257 C258 Cd11 173.7(11) . . ?
C260 C259 H25N 109.5 . . ?
C260 C259 H25O 109.5 . . ?
H25N C259 H25O 109.5 . . ?
C260 C259 H25P 109.5 . . ?
H25N C259 H25P 109.5 . . ?
H25O C259 H25P 109.5 . . ?
O88 C260 O87 122.9(10) . . ?
O88 C260 C259 117.7(12) . . ?
O87 C260 C259 119.3(13) . . ?
C262 C261 H26B 109.5 . . ?
C262 C261 H26C 109.5 . . ?
H26B C261 H26C 109.5 . . ?
C262 C261 H26D 109.5 . . ?
H26B C261 H26D 109.5 . . ?
H26C C261 H26D 109.5 . . ?
O90 C262 O89 118.4(9) . . ?
O90 C262 C261 123.4(10) . . ?
O89 C262 C261 118.1(9) . . ?
C264 C263 H26M 109.5 . . ?
C264 C263 H26N 109.5 . . ?
H26M C263 H26N 109.5 . . ?
C264 C263 H26O 109.5 . . ?
H26M C263 H26O 109.5 . . ?
H26N C263 H26O 109.5 . . ?
O91 C264 O92 116.6(9) . . ?
O91 C264 C263 112.9(12) . . ?
O92 C264 C263 127.6(12) . . ?
O91 C264 Cd8 72.0(6) . . ?
O92 C264 Cd8 45.1(6) . . ?
C263 C264 Cd8 156.1(15) . . ?

_diffrn_measured_fraction_theta_max 0.967
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.967
_refine_diff_density_max         3.884
_refine_diff_density_min         -2.228
_refine_diff_density_rms         0.177
_database_code_depnum_ccdc_archive 'CCDC 921361'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_complex-3
#TrackingRef 'Complex-3.CIF'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C254 H317 Cd18 Cl8 N18 O92 Tb6'
_chemical_formula_sum            'C254 H317 Cd18 Cl8 N18 O92 Tb6'
_chemical_formula_weight         8354.58

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd -0.8075 1.2024 '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'

_symmetry_cell_setting           Hexagonal
_symmetry_space_group_name_H-M   P-3
_symmetry_space_group_name_Hall  -P3

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'

_cell_length_a                   51.114(7)
_cell_length_b                   51.114(7)
_cell_length_c                   24.362(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     55123(16)
_cell_formula_units_Z            6
_cell_measurement_temperature    223(2)
_cell_measurement_reflns_used    38221
_cell_measurement_theta_min      2.09
_cell_measurement_theta_max      27.25

_exptl_crystal_description       Block
_exptl_crystal_colour            Yellow
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.510
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             24558
_exptl_absorpt_coefficient_mu    2.281
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.7131
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   
'DENZO and Scalepack (Otwinoski and Minor, 1997)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      223(1)
_diffrn_radiation_wavelength     0.710747
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Sealed tube'
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_measurement_device_type  'Mercury2 (2x2 bin mode)'
_diffrn_measurement_method       dtprofit.ref
_diffrn_detector_area_resol_mean 13.6612
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            368767
_diffrn_reflns_av_R_equivalents  0.0716
_diffrn_reflns_av_sigmaI/netI    0.0623
_diffrn_reflns_limit_h_min       -58
_diffrn_reflns_limit_h_max       58
_diffrn_reflns_limit_k_min       -59
_diffrn_reflns_limit_k_max       56
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.97
_diffrn_reflns_theta_max         25.00
_reflns_number_total             63771
_reflns_number_gt                40864
_reflns_threshold_expression     >2sigma(I)
_computing_data_collection       'Collect software, Nonius B.V. 1998'
_computing_cell_refinement       'Collect software, Nonius B.V. 1998'
_computing_data_reduction        
;
DENZO and Scalepack (Otwinoski and Minor, 1997)
;
_computing_structure_solution    
;

SIR97 - Altomare A., Burla M.C., Camalli M., Cascarano G.L., Giacovazzo C.,
Guagliardi A., Moliterni A.G.G., Polidori G.,Spagna R.
;
_computing_structure_refinement  'XL SHELXTL/PC, Siemens Analytical'
_computing_molecular_graphics    'XP SHELXTL/PC, Siemens Analytical'
_computing_publication_material  ?



_refine_special_details          
;
Refinement of F² against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F², conventional R-factors R are based
on F, with F set to zero for negative F². The threshold expression of
F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F² are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.

Some uncoordinated solvent molecules such as MeOH, EtOH and H2O molecules
were found to be badly disordered. Attempts to model the disorder were
unsatisfactory. The contributions to the scattering factors due to these
solvent molecules were removed by use of the utility SQUEEZE (Sluis and
Spek, 1990) in PLATON98 (Spek, 1998). PLATON98 was used as incorporated
in WinGX (Farrugia, 1999).

Restraints: ISOR was applied to all non-hydrogen atoms to allow their Uij
components approximate to isotropic behavior.

;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           fullcycle
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1188P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         63771
_refine_ls_number_parameters     3598
_refine_ls_number_restraints     2392
_refine_ls_R_factor_all          0.0939
_refine_ls_R_factor_gt           0.0635
_refine_ls_wR_factor_ref         0.1984
_refine_ls_wR_factor_gt          0.1819
_refine_ls_goodness_of_fit_ref   1.120
_refine_ls_restrained_S_all      1.130
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb1 Tb 0.390994(9) 0.253847(8) 0.435135(15) 0.03294(10) Uani 1 1 d U . .
Tb2 Tb 0.258152(9) 0.282627(9) 0.667236(15) 0.03442(10) Uani 1 1 d U . .
Tb3 Tb 0.463539(10) 0.425341(10) 0.666079(19) 0.04548(12) Uani 1 1 d U . .
Tb4 Tb 0.494517(10) 0.217314(10) 0.764249(19) 0.04701(12) Uani 1 1 d U A .
Tb5 Tb 0.289244(10) 0.121596(10) 0.858695(16) 0.04078(11) Uani 1 1 d U . .
Tb6 Tb 0.424789(11) 0.307421(12) 1.024905(17) 0.05357(13) Uani 1 1 d U A .
Cd1 Cd 0.416561(17) 0.444049(17) 0.74762(3) 0.0588(2) Uani 1 1 d U . .
Cd2 Cd 0.475164(16) 0.376777(15) 0.56667(3) 0.04958(17) Uani 1 1 d U . .
Cd3 Cd 0.470391(15) 0.312105(15) 0.42213(3) 0.04852(17) Uani 1 1 d U . .
Cd4 Cd 0.484775(17) 0.384642(16) 0.37610(3) 0.0579(2) Uani 1 1 d U . .
Cd5 Cd 0.313783(16) 0.227487(16) 0.49315(3) 0.04791(17) Uani 1 1 d U . .
Cd6 Cd 0.239344(17) 0.235746(18) 0.42990(3) 0.05266(19) Uani 1 1 d U . .
Cd7 Cd 0.225256(16) 0.219032(15) 0.57289(3) 0.04566(17) Uani 1 1 d U . .
Cd8 Cd 0.322906(17) 0.351925(17) 0.72357(3) 0.0595(2) Uani 1 1 d U . .
Cd9 Cd 0.356574(18) 0.448765(17) 0.68292(3) 0.0623(2) Uani 1 1 d U . .
Cd10 Cd 0.53932(3) 0.29796(3) 1.03949(5) 0.1079(4) Uani 1 1 d U . .
Cd11 Cd 0.40702(3) 0.08043(2) 0.77549(5) 0.0950(3) Uani 1 1 d U . .
Cd12 Cd 0.50476(2) 0.33974(2) 0.99893(3) 0.0730(2) Uani 1 1 d U . .
Cd13 Cd 0.506293(18) 0.279087(18) 0.85729(3) 0.0633(2) Uani 1 1 d U . .
Cd14 Cd 0.446679(18) 0.146236(17) 0.69745(3) 0.0607(2) Uani 1 1 d U . .
Cd15 Cd 0.350810(17) 0.123863(16) 0.76900(3) 0.05349(19) Uani 1 1 d U . .
Cd16 Cd 0.260244(17) 0.152159(17) 0.95980(3) 0.05067(18) Uani 1 1 d U . .
Cd17 Cd 0.284496(19) 0.161366(19) 1.09718(3) 0.0609(2) Uani 1 1 d U A .
Cd18 Cd 0.347038(18) 0.243846(17) 1.00436(3) 0.05518(19) Uani 1 1 d U . .
Cl1 Cl 0.25428(8) 0.11441(7) 1.14726(11) 0.0810(9) Uani 1 1 d U . .
Cl2 Cl 0.19930(7) 0.24142(8) 0.38693(12) 0.0811(9) Uani 1 1 d U . .
Cl3 Cl 0.48595(9) 0.38402(7) 0.27617(12) 0.0939(11) Uani 1 1 d U . .
Cl4 Cl 0.37032(7) 0.50021(6) 0.65665(17) 0.0954(11) Uani 1 1 d U . .
Cl5 Cl 0.46193(10) 0.22581(9) 0.84943(19) 0.1238(14) Uani 1 1 d U A .
Cl6 Cl 0.44271(14) 0.06142(12) 0.7869(2) 0.158(2) Uani 1 1 d U . .
Cl7 Cl 0.42670(13) 0.37532(14) 0.6019(3) 0.171(2) Uani 1 1 d U . .
Cl8 Cl 0.5437(8) 0.3009(4) 1.1403(9) 0.203(11) Uani 0.48(4) 1 d PU A 1
Cl8' Cl 0.5654(8) 0.3080(5) 1.1226(10) 0.241(11) Uani 0.52(4) 1 d PU A 2
N1 N 0.38579(15) 0.20446(14) 0.4140(3) 0.0365(16) Uani 1 1 d U . .
N2 N 0.33013(17) 0.08827(16) 0.7036(3) 0.0461(18) Uani 1 1 d U . .
N3 N 0.28141(15) 0.17910(15) 0.4672(3) 0.0406(17) Uani 1 1 d U . .
N4 N 0.24754(18) 0.09458(16) 0.7901(3) 0.0499(19) Uani 1 1 d U . .
N5 N 0.19290(17) 0.17067(17) 0.5996(3) 0.0517(19) Uani 1 1 d U . .
N6 N 0.22363(17) 0.16099(17) 0.9327(3) 0.0509(19) Uani 1 1 d U . .
N7 N 0.22471(16) 0.26985(15) 0.7491(3) 0.0401(16) Uani 1 1 d U . .
N8 N 0.31329(19) 0.25653(19) 1.0444(3) 0.056(2) Uani 1 1 d U A .
N9 N 0.30835(19) 0.37059(18) 0.7954(3) 0.060(2) Uani 1 1 d U . .
N10 N 0.4150(2) 0.34913(19) 1.0460(3) 0.065(2) Uani 1 1 d U . .
N11 N 0.4253(2) 0.4545(2) 0.8379(4) 0.072(3) Uani 1 1 d U . .
N12 N 0.5322(2) 0.3875(2) 0.9653(4) 0.081(3) Uani 1 1 d U A .
N13 N 0.51497(18) 0.45069(17) 0.7068(4) 0.060(2) Uani 1 1 d U . .
N14 N 0.55432(19) 0.31861(18) 0.8470(4) 0.065(2) Uani 1 1 d U A .
N15 N 0.52624(16) 0.39665(16) 0.5554(3) 0.0491(19) Uani 1 1 d U . .
N16 N 0.53804(17) 0.24850(17) 0.7026(3) 0.054(2) Uani 1 1 d U . .
N17 N 0.51062(18) 0.30526(17) 0.4321(3) 0.057(2) Uani 1 1 d U . .
N18 N 0.4444(2) 0.14489(19) 0.6058(4) 0.065(2) Uani 1 1 d U A .
O1 O 0.47597(14) 0.30039(14) 0.3233(2) 0.0570(17) Uani 1 1 d U . .
O2 O 0.43407(14) 0.26367(12) 0.3925(2) 0.0484(15) Uani 1 1 d U . .
O3 O 0.30450(14) 0.09436(13) 0.8077(2) 0.0493(15) Uani 1 1 d U . .
O4 O 0.26566(16) 0.06704(14) 0.8854(3) 0.0567(17) Uani 1 1 d U . .
O5 O 0.37435(13) 0.24162(12) 0.3357(2) 0.0459(14) Uani 1 1 d U . .
O6 O 0.34099(12) 0.22328(12) 0.4209(2) 0.0399(13) Uani 1 1 d U . .
O7 O 0.24604(14) 0.11227(14) 0.8999(2) 0.0510(16) Uani 1 1 d U . .
O8 O 0.21352(15) 0.10125(15) 0.9892(3) 0.0607(17) Uani 1 1 d U . .
O9 O 0.21879(15) 0.18652(15) 0.3860(2) 0.0576(17) Uani 1 1 d U . .
O10 O 0.21683(13) 0.19699(14) 0.4895(2) 0.0479(15) Uani 1 1 d U . .
O11 O 0.25559(15) 0.17071(15) 1.0401(2) 0.0542(16) Uani 1 1 d U . .
O12 O 0.25363(18) 0.17958(19) 1.1446(3) 0.077(2) Uani 1 1 d U . .
O13 O 0.17605(14) 0.21896(14) 0.5614(2) 0.0504(15) Uani 1 1 d U . .
O14 O 0.21424(13) 0.24262(12) 0.6433(2) 0.0431(14) Uani 1 1 d U . .
O15 O 0.37868(15) 0.28269(15) 1.0625(2) 0.0575(17) Uani 1 1 d U A .
O16 O 0.42337(17) 0.31187(17) 1.1287(3) 0.072(2) Uani 1 1 d U . .
O17 O 0.22347(14) 0.30396(13) 0.6512(2) 0.0479(15) Uani 1 1 d U . .
O18 O 0.27188(13) 0.32728(13) 0.7081(2) 0.0472(15) Uani 1 1 d U . .
O19 O 0.46941(17) 0.34688(17) 1.0453(3) 0.072(2) Uani 1 1 d U A .
O20 O 0.5218(2) 0.3668(2) 1.0896(4) 0.103(3) Uani 1 1 d U A .
O21 O 0.32591(16) 0.44927(16) 0.7580(3) 0.073(2) Uani 1 1 d U . .
O22 O 0.37715(15) 0.45086(15) 0.7640(3) 0.0625(18) Uani 1 1 d U . .
O23 O 0.54848(19) 0.3407(2) 0.9986(4) 0.096(3) Uani 1 1 d U A .
O24 O 0.5896(2) 0.3255(2) 1.0010(5) 0.120(3) Uani 1 1 d U A .
O25 O 0.44711(16) 0.50024(15) 0.7340(3) 0.0668(19) Uani 1 1 d U . .
O26 O 0.46527(14) 0.46016(14) 0.7228(3) 0.0591(17) Uani 1 1 d U . .
O27 O 0.52865(15) 0.25432(15) 0.8172(3) 0.0607(18) Uani 1 1 d U A .
O28 O 0.53819(17) 0.21073(17) 0.7982(4) 0.086(2) Uani 1 1 d U . .
O29 O 0.49241(18) 0.47413(15) 0.6109(3) 0.077(2) Uani 1 1 d U . .
O30 O 0.49312(15) 0.42484(14) 0.5982(3) 0.0589(17) Uani 1 1 d U . .
O31 O 0.49621(15) 0.18553(15) 0.7031(3) 0.0658(19) Uani 1 1 d U A .
O32 O 0.48643(18) 0.13157(16) 0.6812(3) 0.080(2) Uani 1 1 d U A .
O33 O 0.53725(15) 0.41860(15) 0.3953(3) 0.070(2) Uani 1 1 d U . .
O34 O 0.50751(14) 0.35976(14) 0.4050(3) 0.0588(17) Uani 1 1 d U . .
O35 O 0.41307(16) 0.09755(15) 0.6897(3) 0.0681(19) Uani 1 1 d U A .
O36 O 0.3725(2) 0.04334(17) 0.7052(4) 0.099(3) Uani 1 1 d U . .
O37 O 0.38368(13) 0.23085(13) 0.5156(2) 0.0451(14) Uani 1 1 d U . .
O38 O 0.33929(13) 0.21482(13) 0.5562(2) 0.0481(15) Uani 1 1 d U . .
O39 O 0.36736(15) 0.27488(13) 0.4860(3) 0.0558(17) Uani 1 1 d U . .
O40 O 0.3280(2) 0.2772(2) 0.4999(4) 0.093(3) Uani 1 1 d U . .
O41 O 0.28584(16) 0.23761(16) 0.4205(3) 0.068(2) Uani 1 1 d U . .
O42 O 0.27757(15) 0.26945(16) 0.3749(3) 0.0646(19) Uani 1 1 d U . .
O43 O 0.27972(14) 0.22409(15) 0.5644(2) 0.0566(17) Uani 1 1 d U . .
O44 O 0.26710(13) 0.24661(13) 0.6262(2) 0.0448(14) Uani 1 1 d U . .
O45 O 0.24480(15) 0.25834(15) 0.5134(2) 0.0546(16) Uani 1 1 d U . .
O46 O 0.25778(15) 0.29372(14) 0.5755(2) 0.0542(16) Uani 1 1 d U . .
O47 O 0.28234(13) 0.27351(13) 0.7338(2) 0.0456(14) Uani 1 1 d U . .
O48 O 0.32161(14) 0.31288(14) 0.7721(2) 0.0525(16) Uani 1 1 d U . .
O49 O 0.37389(16) 0.38434(16) 0.7437(4) 0.080(2) Uani 1 1 d U . .
O50 O 0.42169(14) 0.40350(14) 0.7243(3) 0.0578(17) Uani 1 1 d U . .
O51 O 0.3239(2) 0.39465(19) 0.6732(3) 0.104(3) Uani 1 1 d U . .
O52 O 0.3211(2) 0.42525(16) 0.6153(3) 0.088(2) Uani 1 1 d U . .
O53 O 0.39787(16) 0.44461(16) 0.6643(3) 0.0666(19) Uani 1 1 d U . .
O54 O 0.43088(18) 0.43575(18) 0.6197(3) 0.079(2) Uani 1 1 d U . .
O55 O 0.46848(14) 0.38930(13) 0.7061(3) 0.0528(16) Uani 1 1 d U . .
O56 O 0.47422(14) 0.35734(14) 0.6526(2) 0.0526(16) Uani 1 1 d U . .
O57 O 0.46556(13) 0.33215(13) 0.5240(2) 0.0514(16) Uani 1 1 d U . .
O58 O 0.43250(13) 0.28936(13) 0.4854(2) 0.0499(15) Uani 1 1 d U . .
O59 O 0.47691(18) 0.39523(17) 0.4751(3) 0.074(2) Uani 1 1 d U . .
O60 O 0.46812(17) 0.41550(17) 0.4026(3) 0.071(2) Uani 1 1 d U . .
O61 O 0.44630(14) 0.33583(14) 0.3895(3) 0.0566(17) Uani 1 1 d U . .
O62 O 0.39990(14) 0.29649(13) 0.3871(3) 0.0534(16) Uani 1 1 d U . .
O63 O 0.48553(14) 0.25155(13) 0.7275(3) 0.0531(16) Uani 1 1 d U . .
O64 O 0.48993(15) 0.29022(15) 0.7763(3) 0.0597(17) Uani 1 1 d U A .
O65 O 0.5223(2) 0.27101(19) 0.9457(4) 0.104(3) Uani 1 1 d U A .
O66 O 0.5283(3) 0.2521(2) 1.0200(4) 0.133(4) Uani 1 1 d U A .
O67 O 0.49487(18) 0.29728(19) 1.0455(3) 0.086(2) Uani 1 1 d U A .
O68 O 0.44704(18) 0.28324(18) 1.0667(3) 0.079(2) Uani 1 1 d U . .
O69 O 0.40289(16) 0.31300(16) 0.9502(3) 0.0680(19) Uani 1 1 d U . .
O70 O 0.35668(15) 0.27695(15) 0.9312(2) 0.0590(17) Uani 1 1 d U A .
O71 O 0.40116(18) 0.26062(18) 0.9874(3) 0.080(2) Uani 1 1 d U A .
O72 O 0.3703(2) 0.21233(19) 0.9919(3) 0.090(2) Uani 1 1 d U A .
O73 O 0.30988(15) 0.20544(14) 0.9485(2) 0.0562(17) Uani 1 1 d U A .
O74 O 0.29687(14) 0.16743(14) 0.8952(2) 0.0521(16) Uani 1 1 d U A .
O75 O 0.32921(17) 0.20939(16) 1.0796(3) 0.0682(19) Uani 1 1 d U A .
O76 O 0.32722(18) 0.17986(17) 1.1447(3) 0.078(2) Uani 1 1 d U A .
O77 O 0.28844(15) 0.14130(15) 1.0153(2) 0.0587(17) Uani 1 1 d U . .
O78 O 0.29926(16) 0.11649(16) 0.9513(3) 0.0621(18) Uani 1 1 d U . .
O79 O 0.45914(16) 0.31316(17) 0.9552(3) 0.069(2) Uani 1 1 d U A .
O80 O 0.49108(16) 0.30741(16) 0.9056(3) 0.0691(19) Uani 1 1 d U A .
O81 O 0.34104(16) 0.14694(16) 0.8643(3) 0.0653(19) Uani 1 1 d U . .
O82 O 0.3789(2) 0.1412(2) 0.8442(4) 0.095(3) Uani 1 1 d U . .
O83 O 0.30112(14) 0.15225(14) 0.7851(2) 0.0525(16) Uani 1 1 d U . .
O84 O 0.33804(14) 0.15680(13) 0.7314(2) 0.0518(16) Uani 1 1 d U . .
O85 O 0.3657(2) 0.0848(2) 0.7993(4) 0.105(3) Uani 1 1 d U . .
O86 O 0.3810(3) 0.0619(3) 0.8549(5) 0.139(4) Uani 1 1 d U . .
O87 O 0.47650(18) 0.17506(16) 0.8178(3) 0.079(2) Uani 1 1 d U . .
O88 O 0.44230(16) 0.13043(15) 0.7848(3) 0.071(2) Uani 1 1 d U A .
O89 O 0.44598(14) 0.18783(14) 0.7297(3) 0.0593(17) Uani 1 1 d U A .
O90 O 0.39848(14) 0.15195(14) 0.7249(3) 0.0567(17) Uani 1 1 d U A .
O91 O 0.31430(18) 0.31766(17) 0.6398(4) 0.100 Uiso 1 1 d D . .
O92 O 0.3442(2) 0.36339(17) 0.6488(3) 0.100 Uiso 1 1 d D . .
C1 C 0.5011(2) 0.3208(2) 0.2908(5) 0.075(3) Uani 1 1 d U . .
H1A H 0.4993 0.3125 0.2547 0.112 Uiso 1 1 calc R . .
H1B H 0.5194 0.3240 0.3076 0.112 Uiso 1 1 calc R . .
H1C H 0.5015 0.3398 0.2882 0.112 Uiso 1 1 calc R . .
C2 C 0.4626(2) 0.26979(19) 0.3115(4) 0.046(2) Uani 1 1 d U . .
C3 C 0.4698(2) 0.2573(2) 0.2694(4) 0.063(3) Uani 1 1 d U . .
H3A H 0.4859 0.2698 0.2467 0.076 Uiso 1 1 calc R . .
C4 C 0.4540(2) 0.2272(2) 0.2593(4) 0.065(3) Uani 1 1 d U . .
H4A H 0.4583 0.2194 0.2284 0.078 Uiso 1 1 calc R . .
C5 C 0.4316(2) 0.2082(2) 0.2955(4) 0.056(3) Uani 1 1 d U . .
H5A H 0.4212 0.1875 0.2894 0.067 Uiso 1 1 calc R . .
C6 C 0.4246(2) 0.2203(2) 0.3413(4) 0.052(2) Uani 1 1 d U . .
C7 C 0.4401(2) 0.2511(2) 0.3509(3) 0.045(2) Uani 1 1 d U . .
C8 C 0.4001(2) 0.1989(2) 0.3750(4) 0.052(2) Uani 1 1 d U . .
H8A H 0.3937 0.1786 0.3684 0.062 Uiso 1 1 calc R . .
C9 C 0.36160(19) 0.17741(19) 0.4421(3) 0.043(2) Uani 1 1 d U . .
H9A H 0.3504 0.1619 0.4150 0.052 Uiso 1 1 calc R . .
H9B H 0.3477 0.1827 0.4592 0.052 Uiso 1 1 calc R . .
C10 C 0.3738(2) 0.1647(2) 0.4859(4) 0.045(2) Uani 1 1 d U . .
H10A H 0.3827 0.1540 0.4681 0.054 Uiso 1 1 calc R . .
H10B H 0.3895 0.1813 0.5068 0.054 Uiso 1 1 calc R . .
C11 C 0.3487(2) 0.14329(19) 0.5245(3) 0.043(2) Uani 1 1 d U . .
H11A H 0.3408 0.1545 0.5438 0.052 Uiso 1 1 calc R . .
H11B H 0.3324 0.1278 0.5029 0.052 Uiso 1 1 calc R . .
C12 C 0.3588(2) 0.1281(2) 0.5665(3) 0.043(2) Uani 1 1 d U . .
H12A H 0.3607 0.1123 0.5484 0.052 Uiso 1 1 calc R . .
H12B H 0.3786 0.1429 0.5801 0.052 Uiso 1 1 calc R . .
C13 C 0.3377(2) 0.1146(2) 0.6149(3) 0.045(2) Uani 1 1 d U . .
H13A H 0.3382 0.1307 0.6367 0.054 Uiso 1 1 calc R . .
H13B H 0.3172 0.1021 0.6015 0.054 Uiso 1 1 calc R . .
C14 C 0.3460(2) 0.0959(2) 0.6504(3) 0.045(2) Uani 1 1 d U . .
H14A H 0.3412 0.0774 0.6311 0.054 Uiso 1 1 calc R . .
H14B H 0.3676 0.1070 0.6568 0.054 Uiso 1 1 calc R . .
C15 C 0.3082(2) 0.0607(2) 0.7105(4) 0.049(2) Uani 1 1 d U . .
H15A H 0.3042 0.0476 0.6811 0.058 Uiso 1 1 calc R . .
C16 C 0.2898(2) 0.04836(19) 0.7578(4) 0.044(2) Uani 1 1 d U . .
C17 C 0.2713(2) 0.0162(2) 0.7584(4) 0.062(3) Uani 1 1 d U . .
H17A H 0.2719 0.0049 0.7290 0.075 Uiso 1 1 calc R . .
C18 C 0.2528(3) 0.0021(2) 0.8023(5) 0.071(3) Uani 1 1 d U . .
H18A H 0.2413 -0.0189 0.8028 0.085 Uiso 1 1 calc R . .
C19 C 0.2507(3) 0.0180(2) 0.8448(4) 0.066(3) Uani 1 1 d U . .
H19A H 0.2381 0.0079 0.8742 0.079 Uiso 1 1 calc R . .
C20 C 0.2670(2) 0.0484(2) 0.8445(4) 0.056(2) Uani 1 1 d U . .
C21 C 0.2874(2) 0.0641(2) 0.8026(4) 0.055(2) Uani 1 1 d U . .
C22 C 0.2492(3) 0.0531(2) 0.9347(4) 0.069(3) Uani 1 1 d U . .
H22A H 0.2461 0.0330 0.9375 0.104 Uiso 1 1 calc R . .
H22B H 0.2300 0.0522 0.9338 0.104 Uiso 1 1 calc R . .
H22C H 0.2605 0.0647 0.9659 0.104 Uiso 1 1 calc R . .
C23 C 0.3903(2) 0.2575(2) 0.2860(4) 0.054(2) Uani 1 1 d U . .
H23A H 0.3770 0.2608 0.2630 0.081 Uiso 1 1 calc R . .
H23B H 0.3970 0.2455 0.2666 0.081 Uiso 1 1 calc R . .
H23C H 0.4075 0.2766 0.2957 0.081 Uiso 1 1 calc R . .
C24 C 0.34647(19) 0.21647(19) 0.3276(3) 0.040(2) Uani 1 1 d U . .
C25 C 0.3366(2) 0.2014(2) 0.2787(4) 0.047(2) Uani 1 1 d U . .
H25A H 0.3487 0.2081 0.2475 0.056 Uiso 1 1 calc R . .
C26 C 0.3074(2) 0.1754(2) 0.2772(4) 0.051(2) Uani 1 1 d U . .
H26A H 0.3000 0.1648 0.2445 0.062 Uiso 1 1 calc R . .
C27 C 0.2905(2) 0.1661(2) 0.3231(3) 0.047(2) Uani 1 1 d U . .
H27A H 0.2719 0.1484 0.3218 0.057 Uiso 1 1 calc R . .
C28 C 0.30000(19) 0.18223(19) 0.3736(3) 0.042(2) Uani 1 1 d U . .
C29 C 0.3285(2) 0.20718(19) 0.3752(3) 0.042(2) Uani 1 1 d U . .
C30 C 0.2791(2) 0.1683(2) 0.4197(3) 0.041(2) Uani 1 1 d U . .
H30A H 0.2624 0.1494 0.4133 0.049 Uiso 1 1 calc R . .
C31 C 0.2589(2) 0.1599(2) 0.5069(3) 0.045(2) Uani 1 1 d U . .
H31A H 0.2421 0.1434 0.4879 0.054 Uiso 1 1 calc R . .
H31B H 0.2512 0.1715 0.5257 0.054 Uiso 1 1 calc R . .
C32 C 0.2716(2) 0.1472(2) 0.5489(3) 0.047(2) Uani 1 1 d U . .
H32A H 0.2736 0.1312 0.5318 0.057 Uiso 1 1 calc R . .
H32B H 0.2917 0.1630 0.5594 0.057 Uiso 1 1 calc R . .
C33 C 0.2526(2) 0.1350(2) 0.5999(4) 0.052(2) Uani 1 1 d U . .
H33A H 0.2321 0.1204 0.5891 0.062 Uiso 1 1 calc R . .
H33B H 0.2519 0.1515 0.6184 0.062 Uiso 1 1 calc R . .
C34 C 0.2639(2) 0.1203(2) 0.6398(4) 0.050(2) Uani 1 1 d U . .
H34A H 0.2854 0.1337 0.6457 0.059 Uiso 1 1 calc R . .
H34B H 0.2613 0.1018 0.6236 0.059 Uiso 1 1 calc R . .
C35 C 0.2480(2) 0.1129(2) 0.6949(4) 0.052(2) Uani 1 1 d U . .
H35A H 0.2529 0.1316 0.7135 0.063 Uiso 1 1 calc R . .
H35B H 0.2263 0.1018 0.6889 0.063 Uiso 1 1 calc R . .
C36 C 0.2564(2) 0.0946(2) 0.7312(4) 0.053(2) Uani 1 1 d U . .
H36A H 0.2781 0.1027 0.7292 0.063 Uiso 1 1 calc R . .
H36B H 0.2466 0.0740 0.7178 0.063 Uiso 1 1 calc R . .
C37 C 0.2197(2) 0.0792(2) 0.7983(4) 0.051(2) Uani 1 1 d U . .
H37A H 0.2081 0.0685 0.7682 0.062 Uiso 1 1 calc R . .
C38 C 0.2032(2) 0.0760(2) 0.8484(4) 0.057(3) Uani 1 1 d U . .
C39 C 0.1714(3) 0.0569(2) 0.8472(5) 0.068(3) Uani 1 1 d U . .
H39A H 0.1621 0.0469 0.8149 0.082 Uiso 1 1 calc R . .
C40 C 0.1541(3) 0.0530(3) 0.8929(5) 0.073(3) Uani 1 1 d U . .
H40A H 0.1331 0.0410 0.8911 0.087 Uiso 1 1 calc R . .
C41 C 0.1679(2) 0.0671(2) 0.9420(5) 0.064(3) Uani 1 1 d U . .
H41A H 0.1565 0.0634 0.9737 0.077 Uiso 1 1 calc R . .
C42 C 0.1983(2) 0.0862(2) 0.9430(4) 0.052(2) Uani 1 1 d U . .
C43 C 0.2163(2) 0.0918(2) 0.8966(4) 0.048(2) Uani 1 1 d U . .
C44 C 0.1966(2) 0.0966(3) 1.0392(4) 0.068(3) Uani 1 1 d U . .
H44A H 0.1805 0.0760 1.0410 0.103 Uiso 1 1 calc R . .
H44B H 0.1883 0.1098 1.0397 0.103 Uiso 1 1 calc R . .
H44C H 0.2097 0.1009 1.0702 0.103 Uiso 1 1 calc R . .
C45 C 0.2216(3) 0.1836(3) 0.3293(4) 0.078(3) Uani 1 1 d U . .
H45A H 0.2203 0.1645 0.3219 0.117 Uiso 1 1 calc R . .
H45B H 0.2407 0.1997 0.3168 0.117 Uiso 1 1 calc R . .
H45C H 0.2056 0.1845 0.3103 0.117 Uiso 1 1 calc R . .
C46 C 0.1999(2) 0.1621(2) 0.4183(4) 0.053(2) Uani 1 1 d U . .
C47 C 0.1813(2) 0.1333(2) 0.3978(5) 0.062(3) Uani 1 1 d U . .
H47A H 0.1805 0.1297 0.3603 0.075 Uiso 1 1 calc R . .
C48 C 0.1644(3) 0.1106(3) 0.4329(5) 0.075(3) Uani 1 1 d U . .
H48A H 0.1528 0.0911 0.4191 0.090 Uiso 1 1 calc R . .
C49 C 0.1637(3) 0.1155(3) 0.4889(5) 0.070(3) Uani 1 1 d U . .
H49A H 0.1519 0.0994 0.5120 0.084 Uiso 1 1 calc R . .
C50 C 0.1812(2) 0.1451(2) 0.5108(4) 0.057(3) Uani 1 1 d U . .
C51 C 0.20020(19) 0.1696(2) 0.4742(3) 0.044(2) Uani 1 1 d U . .
C52 C 0.1795(2) 0.1476(2) 0.5693(4) 0.052(2) Uani 1 1 d U . .
H52A H 0.1666 0.1297 0.5874 0.062 Uiso 1 1 calc R . .
C53 C 0.1862(2) 0.1668(2) 0.6599(4) 0.053(2) Uani 1 1 d U . .
H53A H 0.1703 0.1463 0.6675 0.064 Uiso 1 1 calc R . .
H53B H 0.1795 0.1806 0.6720 0.064 Uiso 1 1 calc R . .
C54 C 0.2150(2) 0.1734(2) 0.6900(3) 0.049(2) Uani 1 1 d U . .
H54A H 0.2315 0.1926 0.6775 0.058 Uiso 1 1 calc R . .
H54B H 0.2199 0.1579 0.6813 0.058 Uiso 1 1 calc R . .
C55 C 0.2116(2) 0.1745(2) 0.7519(4) 0.053(2) Uani 1 1 d U . .
H55A H 0.1942 0.1559 0.7643 0.063 Uiso 1 1 calc R . .
H55B H 0.2082 0.1911 0.7612 0.063 Uiso 1 1 calc R . .
C56 C 0.2402(2) 0.1789(3) 0.7809(4) 0.065(3) Uani 1 1 d U . .
H56A H 0.2421 0.1612 0.7743 0.078 Uiso 1 1 calc R . .
H56B H 0.2576 0.1961 0.7646 0.078 Uiso 1 1 calc R . .
C57 C 0.2407(2) 0.1840(2) 0.8420(4) 0.058(3) Uani 1 1 d U . .
H57A H 0.2600 0.1877 0.8563 0.070 Uiso 1 1 calc R . .
H57B H 0.2393 0.2019 0.8485 0.070 Uiso 1 1 calc R . .
C58 C 0.2161(2) 0.1583(2) 0.8727(3) 0.049(2) Uani 1 1 d U . .
H58A H 0.2135 0.1394 0.8587 0.059 Uiso 1 1 calc R . .
H58B H 0.1973 0.1583 0.8675 0.059 Uiso 1 1 calc R . .
C59 C 0.2056(2) 0.1643(2) 0.9649(4) 0.059(3) Uani 1 1 d U . .
H59A H 0.1892 0.1641 0.9481 0.071 Uiso 1 1 calc R . .
C60 C 0.2074(2) 0.1682(2) 1.0242(4) 0.059(3) Uani 1 1 d U . .
C61 C 0.1818(3) 0.1669(3) 1.0485(5) 0.070(3) Uani 1 1 d U . .
H61A H 0.1660 0.1647 1.0264 0.084 Uiso 1 1 calc R . .
C62 C 0.1799(3) 0.1689(3) 1.1030(5) 0.080(3) Uani 1 1 d U . .
H62A H 0.1627 0.1680 1.1178 0.096 Uiso 1 1 calc R . .
C63 C 0.2026(3) 0.1722(3) 1.1378(5) 0.076(3) Uani 1 1 d U . .
H63A H 0.2003 0.1725 1.1756 0.092 Uiso 1 1 calc R . .
C64 C 0.2288(3) 0.1749(3) 1.1157(4) 0.067(3) Uani 1 1 d U . .
C65 C 0.2313(2) 0.1710(2) 1.0578(4) 0.057(3) Uani 1 1 d U . .
C66 C 0.2494(3) 0.1762(3) 1.2028(5) 0.093(4) Uani 1 1 d U . .
H66A H 0.2371 0.1844 1.2146 0.140 Uiso 1 1 calc R . .
H66B H 0.2687 0.1867 1.2207 0.140 Uiso 1 1 calc R . .
H66C H 0.2396 0.1551 1.2121 0.140 Uiso 1 1 calc R . .
C67 C 0.1563(2) 0.2065(3) 0.5172(4) 0.066(3) Uani 1 1 d U . .
H67A H 0.1393 0.2095 0.5224 0.099 Uiso 1 1 calc R . .
H67B H 0.1494 0.1853 0.5148 0.099 Uiso 1 1 calc R . .
H67C H 0.1665 0.2163 0.4839 0.099 Uiso 1 1 calc R . .
C68 C 0.1637(2) 0.2210(2) 0.6110(4) 0.049(2) Uani 1 1 d U . .
C69 C 0.1339(2) 0.2109(2) 0.6206(4) 0.052(2) Uani 1 1 d U . .
H69A H 0.1199 0.2018 0.5924 0.062 Uiso 1 1 calc R . .
C70 C 0.1242(2) 0.2141(2) 0.6724(4) 0.057(3) Uani 1 1 d U . .
H70A H 0.1037 0.2064 0.6790 0.069 Uiso 1 1 calc R . .
C71 C 0.1443(2) 0.2284(2) 0.7125(4) 0.050(2) Uani 1 1 d U . .
H71A H 0.1376 0.2311 0.7463 0.060 Uiso 1 1 calc R . .
C72 C 0.17557(19) 0.23937(19) 0.7047(3) 0.042(2) Uani 1 1 d U . .
C73 C 0.1855(2) 0.2349(2) 0.6534(4) 0.046(2) Uani 1 1 d U . .
C74 C 0.19646(19) 0.25563(19) 0.7497(3) 0.042(2) Uani 1 1 d U . .
H74A H 0.1875 0.2553 0.7831 0.050 Uiso 1 1 calc R . .
C75 C 0.2389(2) 0.2835(2) 0.8027(3) 0.048(2) Uani 1 1 d U . .
H75A H 0.2277 0.2921 0.8195 0.057 Uiso 1 1 calc R . .
H75B H 0.2593 0.2999 0.7962 0.057 Uiso 1 1 calc R . .
C76 C 0.2400(2) 0.2615(2) 0.8421(4) 0.056(3) Uani 1 1 d U . .
H76A H 0.2472 0.2497 0.8228 0.067 Uiso 1 1 calc R . .
H76B H 0.2198 0.2478 0.8551 0.067 Uiso 1 1 calc R . .
C77 C 0.2603(2) 0.2767(2) 0.8907(4) 0.057(3) Uani 1 1 d U . .
H77A H 0.2539 0.2895 0.9086 0.068 Uiso 1 1 calc R . .
H77B H 0.2808 0.2896 0.8776 0.068 Uiso 1 1 calc R . .
C78 C 0.2604(2) 0.2543(2) 0.9334(4) 0.061(3) Uani 1 1 d U . .
H78A H 0.2419 0.2459 0.9547 0.074 Uiso 1 1 calc R . .
H78B H 0.2607 0.2378 0.9143 0.074 Uiso 1 1 calc R . .
C79 C 0.2877(2) 0.2693(2) 0.9727(4) 0.061(3) Uani 1 1 d U A .
H79A H 0.3063 0.2768 0.9521 0.073 Uiso 1 1 calc R . .
H79B H 0.2880 0.2862 0.9913 0.073 Uiso 1 1 calc R . .
C80 C 0.2852(2) 0.2461(2) 1.0148(4) 0.054(2) Uani 1 1 d U . .
H80A H 0.2692 0.2421 1.0406 0.065 Uiso 1 1 calc R A .
H80B H 0.2799 0.2273 0.9962 0.065 Uiso 1 1 calc R . .
C81 C 0.3164(2) 0.2678(2) 1.0914(4) 0.058(3) Uani 1 1 d U . .
H81A H 0.2993 0.2672 1.1057 0.070 Uiso 1 1 calc R A .
C82 C 0.3427(2) 0.2814(2) 1.1265(4) 0.056(3) Uani 1 1 d U A .
C83 C 0.3382(3) 0.2903(3) 1.1801(4) 0.067(3) Uani 1 1 d U . .
H83A H 0.3190 0.2862 1.1905 0.080 Uiso 1 1 calc R A .
C84 C 0.3617(3) 0.3046(2) 1.2159(4) 0.067(3) Uani 1 1 d U A .
H84A H 0.3579 0.3089 1.2512 0.081 Uiso 1 1 calc R . .
C85 C 0.3918(3) 0.3132(2) 1.2008(4) 0.062(3) Uani 1 1 d U . .
H85A H 0.4079 0.3235 1.2250 0.074 Uiso 1 1 calc R A .
C86 C 0.3961(2) 0.3056(2) 1.1490(4) 0.061(3) Uani 1 1 d U A .
C87 C 0.3718(2) 0.2892(2) 1.1112(4) 0.050(2) Uani 1 1 d U . .
C88 C 0.4475(3) 0.3204(3) 1.1691(4) 0.079(3) Uani 1 1 d U A .
H88A H 0.4407 0.3054 1.1976 0.118 Uiso 1 1 calc R . .
H88B H 0.4528 0.3396 1.1847 0.118 Uiso 1 1 calc R . .
H88C H 0.4649 0.3216 1.1514 0.118 Uiso 1 1 calc R . .
C89 C 0.2015(2) 0.2975(2) 0.6077(4) 0.057(3) Uani 1 1 d U . .
H89A H 0.1970 0.3136 0.6054 0.085 Uiso 1 1 calc R . .
H89B H 0.1833 0.2789 0.6157 0.085 Uiso 1 1 calc R . .
H89C H 0.2096 0.2956 0.5734 0.085 Uiso 1 1 calc R . .
C90 C 0.2267(2) 0.3256(2) 0.6891(4) 0.052(2) Uani 1 1 d U . .
C91 C 0.2049(2) 0.3342(2) 0.6974(4) 0.058(3) Uani 1 1 d U . .
H91A H 0.1876 0.3262 0.6760 0.070 Uiso 1 1 calc R . .
C92 C 0.2103(2) 0.3555(2) 0.7396(5) 0.065(3) Uani 1 1 d U . .
H92A H 0.1960 0.3612 0.7473 0.078 Uiso 1 1 calc R . .
C93 C 0.2363(2) 0.3673(2) 0.7681(5) 0.068(3) Uani 1 1 d U . .
H93A H 0.2399 0.3818 0.7946 0.082 Uiso 1 1 calc R . .
C94 C 0.2590(2) 0.3585(2) 0.7598(4) 0.053(2) Uani 1 1 d U . .
C95 C 0.2536(2) 0.3375(2) 0.7193(4) 0.047(2) Uani 1 1 d U . .
C96 C 0.2846(2) 0.3719(2) 0.7967(4) 0.058(3) Uani 1 1 d U . .
H96A H 0.2832 0.3831 0.8254 0.069 Uiso 1 1 calc R . .
C97 C 0.3296(2) 0.3842(2) 0.8401(4) 0.059(3) Uani 1 1 d U . .
H97A H 0.3248 0.3976 0.8605 0.070 Uiso 1 1 calc R . .
H97B H 0.3498 0.3963 0.8253 0.070 Uiso 1 1 calc R . .
C98 C 0.3290(2) 0.3613(2) 0.8778(4) 0.066(3) Uani 1 1 d U . .
H98A H 0.3279 0.3446 0.8568 0.079 Uiso 1 1 calc R . .
H98B H 0.3112 0.3533 0.9010 0.079 Uiso 1 1 calc R . .
C99 C 0.3578(3) 0.3757(3) 0.9137(5) 0.071(3) Uani 1 1 d U . .
H99A H 0.3606 0.3943 0.9295 0.086 Uiso 1 1 calc R . .
H99B H 0.3752 0.3805 0.8909 0.086 Uiso 1 1 calc R . .
C100 C 0.3557(2) 0.3539(2) 0.9610(4) 0.063(3) Uani 1 1 d U A .
H10C H 0.3422 0.3534 0.9894 0.076 Uiso 1 1 calc R . .
H10D H 0.3476 0.3336 0.9467 0.076 Uiso 1 1 calc R . .
C101 C 0.3870(3) 0.3649(3) 0.9848(4) 0.067(3) Uani 1 1 d U . .
H10E H 0.3955 0.3856 0.9973 0.081 Uiso 1 1 calc R A .
H10F H 0.4002 0.3644 0.9567 0.081 Uiso 1 1 calc R . .
C102 C 0.3847(2) 0.3443(2) 1.0336(4) 0.064(3) Uani 1 1 d U A .
H10G H 0.3767 0.3492 1.0656 0.077 Uiso 1 1 calc R . .
H10H H 0.3712 0.3233 1.0243 0.077 Uiso 1 1 calc R . .
C103 C 0.4322(3) 0.3737(3) 1.0687(5) 0.088(4) Uani 1 1 d U A .
H10I H 0.4242 0.3863 1.0747 0.106 Uiso 1 1 calc R . .
C104 C 0.4635(3) 0.3853(3) 1.0874(6) 0.094(4) Uani 1 1 d U . .
C105 C 0.4777(3) 0.4142(4) 1.1175(6) 0.110(5) Uani 1 1 d U A .
H10J H 0.4675 0.4247 1.1236 0.132 Uiso 1 1 calc R . .
C106 C 0.5062(4) 0.4248(4) 1.1360(7) 0.136(6) Uani 1 1 d U . .
H10K H 0.5160 0.4433 1.1540 0.163 Uiso 1 1 calc R A .
C107 C 0.5211(4) 0.4087(4) 1.1285(7) 0.122(5) Uani 1 1 d U A .
H10L H 0.5401 0.4157 1.1441 0.147 Uiso 1 1 calc R . .
C108 C 0.5086(3) 0.3835(3) 1.0993(5) 0.084(4) Uani 1 1 d U . .
C109 C 0.4798(3) 0.3711(3) 1.0768(4) 0.076(3) Uani 1 1 d U A .
C110 C 0.5525(3) 0.3761(4) 1.1131(6) 0.121(5) Uani 1 1 d U . .
H11C H 0.5548 0.3859 1.1478 0.181 Uiso 1 1 calc R A .
H11D H 0.5679 0.3898 1.0883 0.181 Uiso 1 1 calc R . .
H11E H 0.5545 0.3585 1.1181 0.181 Uiso 1 1 calc R . .
C111 C 0.2988(3) 0.4504(3) 0.7507(6) 0.094(4) Uani 1 1 d U . .
H11F H 0.2847 0.4390 0.7792 0.141 Uiso 1 1 calc R . .
H11G H 0.2901 0.4420 0.7156 0.141 Uiso 1 1 calc R . .
H11H H 0.3033 0.4710 0.7524 0.141 Uiso 1 1 calc R . .
C112 C 0.3394(3) 0.4555(3) 0.8079(5) 0.076(3) Uani 1 1 d U . .
C113 C 0.3278(3) 0.4604(3) 0.8540(6) 0.095(4) Uani 1 1 d U . .
H11I H 0.3098 0.4608 0.8519 0.114 Uiso 1 1 calc R . .
C114 C 0.3420(3) 0.4650(3) 0.9044(7) 0.108(5) Uani 1 1 d U . .
H11J H 0.3337 0.4679 0.9362 0.130 Uiso 1 1 calc R . .
C115 C 0.3684(3) 0.4653(3) 0.9053(7) 0.107(5) Uani 1 1 d U . .
H11K H 0.3780 0.4684 0.9390 0.129 Uiso 1 1 calc R . .
C116 C 0.3824(3) 0.4613(3) 0.8601(5) 0.068(3) Uani 1 1 d U . .
C117 C 0.3673(3) 0.4558(2) 0.8112(5) 0.066(3) Uani 1 1 d U . .
C118 C 0.4092(3) 0.4599(3) 0.8707(5) 0.074(3) Uani 1 1 d U . .
H11L H 0.4158 0.4634 0.9069 0.089 Uiso 1 1 calc R . .
C119 C 0.4522(3) 0.4534(3) 0.8606(6) 0.099(4) Uani 1 1 d U C .
H11M H 0.4691 0.4635 0.8354 0.119 Uiso 1 1 calc R . .
H11N H 0.4581 0.4641 0.8953 0.119 Uiso 1 1 calc R . .
C120 C 0.4454(3) 0.4233(3) 0.8683(6) 0.101(4) Uani 1 1 d U . .
H12C H 0.4373 0.4120 0.8346 0.121 Uiso 1 1 calc R B 1
H12D H 0.4302 0.4139 0.8967 0.121 Uiso 1 1 calc R B 1
C121 C 0.4741(4) 0.4223(4) 0.8851(8) 0.075(6) Uani 0.74(3) 1 d PU C 1
H12E H 0.4889 0.4300 0.8556 0.090 Uiso 0.74(3) 1 calc PR C 1
H12F H 0.4832 0.4346 0.9174 0.090 Uiso 0.74(3) 1 calc PR C 1
C122 C 0.4653(4) 0.3906(5) 0.8968(8) 0.088(7) Uani 0.74(3) 1 d PU C 1
H12G H 0.4542 0.3779 0.8660 0.106 Uiso 0.74(3) 1 calc PR C 1
H12H H 0.4525 0.3836 0.9290 0.106 Uiso 0.74(3) 1 calc PR C 1
C268 C 0.4586(9) 0.4009(9) 0.8653(17) 0.044(13) Uani 0.26(3) 1 d PU C 2
H26W H 0.4428 0.3800 0.8698 0.053 Uiso 0.26(3) 1 calc PR C 2
H26J H 0.4691 0.4031 0.8309 0.053 Uiso 0.26(3) 1 calc PR C 2
C269 C 0.4804(8) 0.4118(9) 0.9142(16) 0.040(12) Uani 0.26(3) 1 d PU C 2
H26H H 0.4699 0.4086 0.9488 0.048 Uiso 0.26(3) 1 calc PR C 2
H26I H 0.4958 0.4329 0.9107 0.048 Uiso 0.26(3) 1 calc PR C 2
C149 C 0.6060(5) 0.2915(5) 0.8661(10) 0.074(6) Uani 0.547(16) 1 d PU A 1
H14Q H 0.6191 0.3085 0.8863 0.089 Uiso 0.547(16) 1 calc PR A 1
C150 C 0.6110(5) 0.2684(5) 0.8614(10) 0.086(8) Uani 0.547(16) 1 d PU A 1
H15B H 0.6297 0.2708 0.8712 0.104 Uiso 0.547(16) 1 calc PR A 1
C151 C 0.5877(5) 0.2396(5) 0.8412(10) 0.072(6) Uani 0.547(16) 1 d PU A 1
H15D H 0.5895 0.2225 0.8453 0.087 Uiso 0.547(16) 1 calc PR A 1
C265 C 0.6131(8) 0.2970(8) 0.8224(16) 0.109(11) Uani 0.453(16) 1 d PU A 2
H26X H 0.6287 0.3169 0.8249 0.130 Uiso 0.453(16) 1 calc PR A 2
C266 C 0.6201(7) 0.2739(7) 0.8024(14) 0.099(10) Uani 0.453(16) 1 d PU A 2
H26Y H 0.6400 0.2793 0.7947 0.118 Uiso 0.453(16) 1 calc PR A 2
C267 C 0.5965(6) 0.2432(6) 0.7948(12) 0.080(9) Uani 0.453(16) 1 d PU A 2
H26Z H 0.5995 0.2282 0.7799 0.097 Uiso 0.453(16) 1 calc PR A 2
C123 C 0.4950(3) 0.3888(3) 0.9071(6) 0.104(4) Uani 1 1 d U . .
H12I H 0.4994 0.3777 0.8822 0.124 Uiso 1 1 calc R C 1
C124 C 0.5158(3) 0.4032(3) 0.9529(6) 0.097(4) Uani 1 1 d U A .
H12J H 0.5300 0.4241 0.9437 0.116 Uiso 1 1 calc R . .
H12K H 0.5046 0.4031 0.9851 0.116 Uiso 1 1 calc R . .
C125 C 0.5625(3) 0.4021(3) 0.9617(5) 0.079(3) Uani 1 1 d U . .
H12L H 0.5717 0.4223 0.9510 0.094 Uiso 1 1 calc R A .
C126 C 0.5818(3) 0.3907(3) 0.9719(5) 0.080(3) Uani 1 1 d U A .
C127 C 0.6118(5) 0.4138(5) 0.9623(9) 0.160(7) Uani 1 1 d U . .
H12M H 0.6165 0.4335 0.9539 0.192 Uiso 1 1 calc R A .
C128 C 0.6338(7) 0.4055(7) 0.9663(12) 0.224(12) Uani 1 1 d U A .
H12O H 0.6542 0.4200 0.9657 0.269 Uiso 1 1 calc R . .
C129 C 0.6236(7) 0.3721(7) 0.9716(12) 0.220(11) Uani 1 1 d U . .
H12Q H 0.6365 0.3651 0.9606 0.264 Uiso 1 1 calc R A .
C130 C 0.5979(4) 0.3537(4) 0.9906(7) 0.108(5) Uani 1 1 d U A .
C131 C 0.5754(3) 0.3620(3) 0.9869(5) 0.074(3) Uani 1 1 d U . .
C132 C 0.6114(5) 0.3174(5) 1.0083(9) 0.168(8) Uani 1 1 d U . .
H13C H 0.6215 0.3192 0.9741 0.251 Uiso 1 1 calc R A .
H13D H 0.6021 0.2969 1.0209 0.251 Uiso 1 1 calc R . .
H13E H 0.6259 0.3305 1.0350 0.251 Uiso 1 1 calc R . .
C133 C 0.4370(3) 0.5192(3) 0.7541(5) 0.075(3) Uani 1 1 d U . .
H13F H 0.4477 0.5385 0.7361 0.112 Uiso 1 1 calc R . .
H13G H 0.4406 0.5219 0.7929 0.112 Uiso 1 1 calc R . .
H13H H 0.4157 0.5104 0.7470 0.112 Uiso 1 1 calc R . .
C134 C 0.4778(3) 0.5106(2) 0.7378(5) 0.068(3) Uani 1 1 d U . .
C135 C 0.4995(3) 0.5410(3) 0.7437(5) 0.083(4) Uani 1 1 d U . .
H13I H 0.4937 0.5555 0.7470 0.099 Uiso 1 1 calc R . .
C136 C 0.5298(3) 0.5492(3) 0.7447(6) 0.094(4) Uani 1 1 d U . .
H13J H 0.5445 0.5694 0.7491 0.113 Uiso 1 1 calc R . .
C137 C 0.5378(3) 0.5288(3) 0.7396(6) 0.089(4) Uani 1 1 d U . .
H13K H 0.5582 0.5347 0.7411 0.106 Uiso 1 1 calc R . .
C138 C 0.5167(3) 0.4985(2) 0.7318(5) 0.075(3) Uani 1 1 d U . .
C139 C 0.4870(2) 0.4892(2) 0.7322(5) 0.065(3) Uani 1 1 d U . .
C140 C 0.5296(3) 0.4779(3) 0.7248(5) 0.075(3) Uani 1 1 d U . .
H14C H 0.5497 0.4856 0.7342 0.090 Uiso 1 1 calc R . .
C141 C 0.5339(2) 0.4366(2) 0.7026(4) 0.059(3) Uani 1 1 d U . .
H14D H 0.5539 0.4516 0.6902 0.071 Uiso 1 1 calc R . .
H14E H 0.5253 0.4207 0.6754 0.071 Uiso 1 1 calc R . .
C142 C 0.5366(2) 0.4237(2) 0.7558(4) 0.064(3) Uani 1 1 d U . .
H14F H 0.5170 0.4135 0.7736 0.077 Uiso 1 1 calc R . .
H14G H 0.5504 0.4400 0.7796 0.077 Uiso 1 1 calc R . .
C143 C 0.5481(2) 0.4009(2) 0.7477(4) 0.057(3) Uani 1 1 d U . .
H14H H 0.5338 0.3843 0.7251 0.068 Uiso 1 1 calc R . .
H14I H 0.5672 0.4109 0.7282 0.068 Uiso 1 1 calc R . .
C144 C 0.5524(3) 0.3883(2) 0.8019(4) 0.065(3) Uani 1 1 d U . .
H14J H 0.5704 0.4040 0.8198 0.078 Uiso 1 1 calc R . .
H14K H 0.5353 0.3837 0.8256 0.078 Uiso 1 1 calc R . .
C145 C 0.5552(2) 0.3607(2) 0.7965(4) 0.058(3) Uani 1 1 d U A .
H14L H 0.5373 0.3450 0.7784 0.070 Uiso 1 1 calc R . .
H14M H 0.5724 0.3653 0.7734 0.070 Uiso 1 1 calc R . .
C146 C 0.5588(3) 0.3490(2) 0.8502(5) 0.070(3) Uani 1 1 d U . .
H14N H 0.5789 0.3625 0.8641 0.084 Uiso 1 1 calc R A .
H14O H 0.5445 0.3491 0.8761 0.084 Uiso 1 1 calc R . .
C147 C 0.5778(3) 0.3157(3) 0.8476(6) 0.087(4) Uani 1 1 d U . .
H14P H 0.5959 0.3335 0.8540 0.105 Uiso 1 1 calc R A .
C148 C 0.5804(3) 0.2897(3) 0.8398(7) 0.107(5) Uani 1 1 d U A .
C152 C 0.5629(3) 0.2377(3) 0.8159(7) 0.099(4) Uani 1 1 d U A .
C153 C 0.5566(3) 0.2610(3) 0.8244(5) 0.078(3) Uani 1 1 d U . .
C154 C 0.5395(3) 0.1832(3) 0.8017(6) 0.090(4) Uani 1 1 d U A .
H15F H 0.5587 0.1876 0.8164 0.135 Uiso 1 1 calc R . .
H15G H 0.5370 0.1745 0.7657 0.135 Uiso 1 1 calc R . .
H15H H 0.5236 0.1691 0.8252 0.135 Uiso 1 1 calc R . .
C155 C 0.4862(3) 0.4988(3) 0.6046(5) 0.089(4) Uani 1 1 d U . .
H15I H 0.4912 0.5067 0.5680 0.134 Uiso 1 1 calc R . .
H15J H 0.4981 0.5145 0.6304 0.134 Uiso 1 1 calc R . .
H15K H 0.4651 0.4915 0.6113 0.134 Uiso 1 1 calc R . .
C156 C 0.5178(3) 0.4772(2) 0.5849(5) 0.071(3) Uani 1 1 d U . .
C157 C 0.5409(3) 0.5040(3) 0.5677(5) 0.087(4) Uani 1 1 d U . .
H15L H 0.5400 0.5217 0.5715 0.104 Uiso 1 1 calc R . .
C158 C 0.5661(3) 0.5044(3) 0.5439(6) 0.100(4) Uani 1 1 d U . .
H15M H 0.5827 0.5226 0.5332 0.119 Uiso 1 1 calc R . .
C159 C 0.5663(3) 0.4777(2) 0.5362(4) 0.068(3) Uani 1 1 d U . .
H15N H 0.5826 0.4781 0.5187 0.081 Uiso 1 1 calc R . .
C160 C 0.5421(2) 0.4498(2) 0.5543(4) 0.062(3) Uani 1 1 d U . .
C161 C 0.5174(2) 0.4498(2) 0.5784(4) 0.063(3) Uani 1 1 d U . .
C162 C 0.5444(2) 0.4231(2) 0.5466(4) 0.056(2) Uani 1 1 d U . .
H16A H 0.5628 0.4267 0.5324 0.067 Uiso 1 1 calc R . .
C163 C 0.5361(2) 0.3738(2) 0.5482(4) 0.054(2) Uani 1 1 d U . .
H16B H 0.5555 0.3830 0.5298 0.065 Uiso 1 1 calc R . .
H16C H 0.5216 0.3572 0.5258 0.065 Uiso 1 1 calc R . .
C164 C 0.5387(2) 0.3620(2) 0.6036(4) 0.050(2) Uani 1 1 d U . .
H16D H 0.5210 0.3573 0.6254 0.060 Uiso 1 1 calc R . .
H16E H 0.5563 0.3775 0.6227 0.060 Uiso 1 1 calc R . .
C165 C 0.5413(2) 0.3339(2) 0.5968(4) 0.057(2) Uani 1 1 d U . .
H16F H 0.5572 0.3379 0.5705 0.068 Uiso 1 1 calc R . .
H16G H 0.5225 0.3176 0.5822 0.068 Uiso 1 1 calc R . .
C166 C 0.5485(2) 0.3238(2) 0.6513(4) 0.056(2) Uani 1 1 d U A .
H16H H 0.5694 0.3374 0.6609 0.068 Uiso 1 1 calc R . .
H16I H 0.5359 0.3249 0.6800 0.068 Uiso 1 1 calc R . .
C167 C 0.5429(2) 0.2918(2) 0.6477(4) 0.062(3) Uani 1 1 d U . .
H16J H 0.5219 0.2782 0.6387 0.075 Uiso 1 1 calc R A .
H16K H 0.5551 0.2907 0.6182 0.075 Uiso 1 1 calc R . .
C168 C 0.5504(2) 0.2811(2) 0.7005(5) 0.062(3) Uani 1 1 d U A .
H16L H 0.5722 0.2911 0.7044 0.074 Uiso 1 1 calc R . .
H16M H 0.5426 0.2871 0.7313 0.074 Uiso 1 1 calc R . .
C169 C 0.5534(3) 0.2397(3) 0.6766(5) 0.074(3) Uani 1 1 d U A .
H16N H 0.5721 0.2548 0.6641 0.089 Uiso 1 1 calc R . .
C170 C 0.5456(2) 0.2087(2) 0.6634(5) 0.067(3) Uani 1 1 d U . .
C171 C 0.5676(3) 0.2048(3) 0.6359(5) 0.083(4) Uani 1 1 d U A .
H17B H 0.5861 0.2215 0.6267 0.099 Uiso 1 1 calc R . .
C172 C 0.5617(3) 0.1758(3) 0.6225(6) 0.088(4) Uani 1 1 d U . .
H17C H 0.5759 0.1731 0.6032 0.106 Uiso 1 1 calc R A .
C173 C 0.5352(3) 0.1516(3) 0.6378(5) 0.080(3) Uani 1 1 d U A .
H17D H 0.5315 0.1324 0.6290 0.096 Uiso 1 1 calc R . .
C174 C 0.5132(3) 0.1546(3) 0.6666(5) 0.076(3) Uani 1 1 d U . .
C175 C 0.5185(2) 0.1836(3) 0.6779(5) 0.064(3) Uani 1 1 d U A .
C176 C 0.4786(3) 0.1005(3) 0.6640(6) 0.092(4) Uani 1 1 d U . .
H17E H 0.4912 0.0946 0.6831 0.138 Uiso 1 1 calc R A .
H17F H 0.4817 0.1003 0.6251 0.138 Uiso 1 1 calc R . .
H17G H 0.4578 0.0867 0.6726 0.138 Uiso 1 1 calc R . .
C177 C 0.5515(3) 0.4503(2) 0.3913(5) 0.076(3) Uani 1 1 d U . .
H17H H 0.5645 0.4593 0.4225 0.114 Uiso 1 1 calc R . .
H17I H 0.5365 0.4564 0.3904 0.114 Uiso 1 1 calc R . .
H17J H 0.5633 0.4569 0.3583 0.114 Uiso 1 1 calc R . .
C178 C 0.5543(2) 0.4050(2) 0.4060(4) 0.061(3) Uani 1 1 d U . .
C179 C 0.5853(2) 0.4207(3) 0.4104(4) 0.064(3) Uani 1 1 d U . .
H17K H 0.5961 0.4415 0.4065 0.077 Uiso 1 1 calc R . .
C180 C 0.5999(3) 0.4052(3) 0.4205(5) 0.076(3) Uani 1 1 d U . .
H18B H 0.6208 0.4157 0.4239 0.091 Uiso 1 1 calc R . .
C181 C 0.5843(3) 0.3741(3) 0.4260(5) 0.079(3) Uani 1 1 d U . .
H18C H 0.5946 0.3638 0.4336 0.095 Uiso 1 1 calc R . .
C182 C 0.5523(2) 0.3579(2) 0.4198(4) 0.058(3) Uani 1 1 d U . .
C183 C 0.5371(2) 0.3732(2) 0.4114(4) 0.052(2) Uani 1 1 d U . .
C184 C 0.5389(2) 0.3250(2) 0.4287(4) 0.057(3) Uani 1 1 d U . .
H18D H 0.5524 0.3179 0.4323 0.068 Uiso 1 1 calc R . .
C185 C 0.5023(2) 0.2741(2) 0.4428(4) 0.058(3) Uani 1 1 d U . .
H18E H 0.5199 0.2718 0.4393 0.069 Uiso 1 1 calc R . .
H18F H 0.4874 0.2610 0.4163 0.069 Uiso 1 1 calc R . .
C186 C 0.4895(3) 0.2655(2) 0.5006(5) 0.069(3) Uani 1 1 d U . .
H18G H 0.4748 0.2720 0.5060 0.083 Uiso 1 1 calc R . .
H18H H 0.5057 0.2763 0.5267 0.083 Uiso 1 1 calc R . .
C187 C 0.4743(2) 0.2315(2) 0.5129(4) 0.061(3) Uani 1 1 d U . .
H18I H 0.4569 0.2206 0.4891 0.073 Uiso 1 1 calc R . .
H18J H 0.4884 0.2244 0.5053 0.073 Uiso 1 1 calc R . .
C188 C 0.4644(3) 0.2252(2) 0.5714(5) 0.070(3) Uani 1 1 d U . .
H18K H 0.4529 0.2350 0.5802 0.084 Uiso 1 1 calc R . .
H18L H 0.4822 0.2339 0.5948 0.084 Uiso 1 1 calc R . .
C189 C 0.4456(2) 0.1921(2) 0.5840(4) 0.058(3) Uani 1 1 d U A .
H18M H 0.4380 0.1898 0.6212 0.070 Uiso 1 1 calc R . .
H18N H 0.4283 0.1833 0.5596 0.070 Uiso 1 1 calc R . .
C190 C 0.4618(2) 0.1748(2) 0.5785(5) 0.065(3) Uani 1 1 d U . .
H19B H 0.4644 0.1720 0.5400 0.078 Uiso 1 1 calc R A .
H19C H 0.4816 0.1861 0.5951 0.078 Uiso 1 1 calc R . .
C191 C 0.4315(2) 0.1217(2) 0.5765(5) 0.067(3) Uani 1 1 d U . .
H19D H 0.4353 0.1251 0.5391 0.081 Uiso 1 1 calc R A .
C192 C 0.4113(2) 0.0903(2) 0.5915(5) 0.064(3) Uani 1 1 d U A .
C193 C 0.3996(3) 0.0696(3) 0.5490(6) 0.085(4) Uani 1 1 d U . .
H19E H 0.4060 0.0762 0.5134 0.103 Uiso 1 1 calc R A .
C194 C 0.3789(3) 0.0398(3) 0.5572(6) 0.099(4) Uani 1 1 d U A .
H19F H 0.3721 0.0263 0.5279 0.118 Uiso 1 1 calc R . .
C195 C 0.3690(3) 0.0306(3) 0.6071(6) 0.100(4) Uani 1 1 d U . .
H19G H 0.3538 0.0108 0.6130 0.120 Uiso 1 1 calc R A .
C196 C 0.3812(3) 0.0504(3) 0.6517(5) 0.080(3) Uani 1 1 d U A .
C197 C 0.4030(2) 0.0808(2) 0.6447(5) 0.064(3) Uani 1 1 d U . .
C198 C 0.3467(4) 0.0124(3) 0.7197(7) 0.131(6) Uani 1 1 d U . .
H19H H 0.3365 0.0020 0.6867 0.196 Uiso 1 1 calc R . .
H19I H 0.3327 0.0144 0.7432 0.196 Uiso 1 1 calc R . .
H19J H 0.3543 0.0011 0.7383 0.196 Uiso 1 1 calc R . .
C199 C 0.3776(2) 0.2134(2) 0.6078(4) 0.053(2) Uani 1 1 d U . .
H19K H 0.3983 0.2187 0.6024 0.080 Uiso 1 1 calc R . .
H19L H 0.3657 0.1922 0.6158 0.080 Uiso 1 1 calc R . .
H19M H 0.3763 0.2248 0.6378 0.080 Uiso 1 1 calc R . .
C200 C 0.36582(18) 0.22039(17) 0.5563(3) 0.0354(19) Uani 1 1 d U . .
C201 C 0.3746(4) 0.3220(4) 0.4775(8) 0.163(7) Uani 1 1 d DU . .
H20A H 0.3955 0.3276 0.4748 0.245 Uiso 1 1 calc R . .
H20B H 0.3719 0.3329 0.5070 0.245 Uiso 1 1 calc R . .
H20C H 0.3682 0.3267 0.4437 0.245 Uiso 1 1 calc R . .
C202 C 0.3562(3) 0.2891(3) 0.4882(5) 0.079(3) Uani 1 1 d U . .
C203 C 0.3237(2) 0.2703(3) 0.3551(5) 0.074(3) Uani 1 1 d U . .
H20D H 0.3398 0.2770 0.3813 0.111 Uiso 1 1 calc R . .
H20E H 0.3270 0.2870 0.3321 0.111 Uiso 1 1 calc R . .
H20F H 0.3231 0.2546 0.3328 0.111 Uiso 1 1 calc R . .
C204 C 0.2937(2) 0.2584(2) 0.3854(4) 0.058(3) Uani 1 1 d U . .
C205 C 0.3181(2) 0.2546(2) 0.6305(4) 0.056(2) Uani 1 1 d U . .
H20G H 0.3304 0.2486 0.6102 0.084 Uiso 1 1 calc R . .
H20H H 0.3161 0.2476 0.6677 0.084 Uiso 1 1 calc R . .
H20I H 0.3274 0.2762 0.6302 0.084 Uiso 1 1 calc R . .
C206 C 0.2866(2) 0.2405(2) 0.6039(4) 0.048(2) Uani 1 1 d U . .
C207 C 0.2656(3) 0.3095(3) 0.4832(5) 0.094(4) Uani 1 1 d U . .
H20J H 0.2736 0.3290 0.4999 0.141 Uiso 1 1 calc R . .
H20K H 0.2485 0.3055 0.4608 0.141 Uiso 1 1 calc R . .
H20L H 0.2808 0.3090 0.4608 0.141 Uiso 1 1 calc R . .
C208 C 0.2558(2) 0.2858(2) 0.5271(3) 0.047(2) Uani 1 1 d U . .
C209 C 0.3126(2) 0.2637(2) 0.7934(4) 0.058(3) Uani 1 1 d U . .
H20M H 0.2981 0.2432 0.7837 0.087 Uiso 1 1 calc R . .
H20N H 0.3121 0.2663 0.8323 0.087 Uiso 1 1 calc R . .
H20O H 0.3325 0.2680 0.7827 0.087 Uiso 1 1 calc R . .
C210 C 0.30497(19) 0.28483(19) 0.7644(3) 0.042(2) Uani 1 1 d U . .
C211 C 0.3915(3) 0.3494(2) 0.7237(5) 0.078(3) Uani 1 1 d U . .
H21A H 0.3706 0.3345 0.7291 0.117 Uiso 1 1 calc R . .
H21B H 0.4036 0.3467 0.7506 0.117 Uiso 1 1 calc R . .
H21C H 0.3977 0.3472 0.6876 0.117 Uiso 1 1 calc R . .
C212 C 0.3954(2) 0.3806(2) 0.7297(5) 0.068(3) Uani 1 1 d U . .
C213 C 0.2860(3) 0.3731(3) 0.6011(5) 0.092(4) Uani 1 1 d U . .
H21D H 0.2816 0.3542 0.6171 0.137 Uiso 1 1 calc R . .
H21E H 0.2915 0.3735 0.5632 0.137 Uiso 1 1 calc R . .
H21F H 0.2684 0.3753 0.6034 0.137 Uiso 1 1 calc R . .
C214 C 0.3116(3) 0.3984(3) 0.6313(5) 0.083(4) Uani 1 1 d U . .
C215 C 0.3874(3) 0.4320(4) 0.5677(6) 0.113(5) Uani 1 1 d U . .
H21G H 0.3963 0.4273 0.5373 0.170 Uiso 1 1 calc R . .
H21H H 0.3859 0.4495 0.5589 0.170 Uiso 1 1 calc R . .
H21I H 0.3677 0.4152 0.5750 0.170 Uiso 1 1 calc R . .
C216 C 0.4083(3) 0.4389(3) 0.6209(5) 0.087(4) Uani 1 1 d U . .
C217 C 0.4647(2) 0.3463(2) 0.7480(4) 0.053(2) Uani 1 1 d U . .
H21J H 0.4657 0.3287 0.7374 0.080 Uiso 1 1 calc R . .
H21K H 0.4452 0.3402 0.7635 0.080 Uiso 1 1 calc R . .
H21L H 0.4801 0.3576 0.7747 0.080 Uiso 1 1 calc R . .
C218 C 0.46946(19) 0.3657(2) 0.6984(4) 0.048(2) Uani 1 1 d U . .
C219 C 0.4226(2) 0.2974(2) 0.5780(4) 0.058(3) Uani 1 1 d U . .
H21M H 0.4317 0.3131 0.6050 0.087 Uiso 1 1 calc R . .
H21N H 0.4217 0.2793 0.5918 0.087 Uiso 1 1 calc R . .
H21O H 0.4025 0.2934 0.5701 0.087 Uiso 1 1 calc R . .
C220 C 0.4411(2) 0.30714(19) 0.5265(3) 0.047(2) Uani 1 1 d U . .
C221 C 0.4541(3) 0.4262(3) 0.4887(6) 0.103(4) Uani 1 1 d U . .
H22D H 0.4574 0.4243 0.5269 0.154 Uiso 1 1 calc R . .
H22E H 0.4327 0.4167 0.4818 0.154 Uiso 1 1 calc R . .
H22F H 0.4635 0.4472 0.4792 0.154 Uiso 1 1 calc R . .
C222 C 0.4673(3) 0.4112(2) 0.4547(4) 0.067(3) Uani 1 1 d U . .
C223 C 0.4081(3) 0.3431(3) 0.3487(5) 0.083(4) Uani 1 1 d U . .
H22G H 0.3868 0.3315 0.3413 0.125 Uiso 1 1 calc R . .
H22H H 0.4189 0.3505 0.3149 0.125 Uiso 1 1 calc R . .
H22I H 0.4121 0.3599 0.3720 0.125 Uiso 1 1 calc R . .
C224 C 0.4183(2) 0.3233(2) 0.3773(4) 0.052(2) Uani 1 1 d U . .
C235 C 0.4658(2) 0.2811(2) 0.6913(4) 0.062(3) Uani 1 1 d U . .
H23D H 0.4606 0.2670 0.6617 0.092 Uiso 1 1 calc R A .
H23E H 0.4790 0.3012 0.6780 0.092 Uiso 1 1 calc R . .
H23F H 0.4478 0.2799 0.7058 0.092 Uiso 1 1 calc R . .
C236 C 0.4813(2) 0.2738(2) 0.7354(4) 0.051(2) Uani 1 1 d U A .
C237 C 0.4410(2) 0.2865(3) 0.8710(4) 0.072(3) Uani 1 1 d U A .
H23G H 0.4493 0.2803 0.8418 0.108 Uiso 1 1 calc R . .
H23H H 0.4338 0.2992 0.8566 0.108 Uiso 1 1 calc R . .
H23I H 0.4245 0.2689 0.8875 0.108 Uiso 1 1 calc R . .
C238 C 0.4646(2) 0.3033(2) 0.9128(4) 0.060(3) Uani 1 1 d U . .
C239 C 0.5144(4) 0.2203(4) 0.9399(8) 0.143(6) Uani 1 1 d U . .
H23J H 0.5116 0.2227 0.9017 0.214 Uiso 1 1 calc R A .
H23K H 0.4958 0.2045 0.9550 0.214 Uiso 1 1 calc R . .
H23L H 0.5299 0.2151 0.9441 0.214 Uiso 1 1 calc R . .
C240 C 0.5236(4) 0.2499(4) 0.9703(6) 0.115(5) Uani 1 1 d U A .
C241 C 0.3826(2) 0.3151(2) 0.8641(4) 0.070(3) Uani 1 1 d U . .
H24A H 0.3642 0.3036 0.8439 0.105 Uiso 1 1 calc R A .
H24B H 0.3991 0.3157 0.8439 0.105 Uiso 1 1 calc R . .
H24C H 0.3864 0.3353 0.8696 0.105 Uiso 1 1 calc R . .
C242 C 0.3799(2) 0.3000(2) 0.9204(4) 0.056(2) Uani 1 1 d U A .
C243 C 0.4222(3) 0.2291(4) 0.9809(7) 0.123(5) Uani 1 1 d U A .
H24D H 0.4357 0.2421 0.9531 0.184 Uiso 1 1 calc R . .
H24E H 0.4144 0.2084 0.9703 0.184 Uiso 1 1 calc R . .
H24F H 0.4328 0.2328 1.0151 0.184 Uiso 1 1 calc R . .
C244 C 0.3962(3) 0.2353(3) 0.9875(4) 0.075(3) Uani 1 1 d U . .
C245 C 0.4689(4) 0.2572(4) 1.1122(7) 0.125(5) Uani 1 1 d U . .
H24G H 0.4494 0.2467 1.1294 0.187 Uiso 1 1 calc R A .
H24H H 0.4842 0.2674 1.1397 0.187 Uiso 1 1 calc R . .
H24I H 0.4727 0.2430 1.0931 0.187 Uiso 1 1 calc R . .
C246 C 0.4696(3) 0.2802(3) 1.0718(5) 0.086(4) Uani 1 1 d U A .
C247 C 0.3750(3) 0.2251(3) 1.1325(5) 0.077(3) Uani 1 1 d U A .
H24J H 0.3803 0.2453 1.1225 0.115 Uiso 1 1 calc R . .
H24K H 0.3880 0.2195 1.1135 0.115 Uiso 1 1 calc R . .
H24L H 0.3775 0.2241 1.1714 0.115 Uiso 1 1 calc R . .
C248 C 0.3428(3) 0.2037(2) 1.1170(4) 0.065(3) Uani 1 1 d U . .
C249 C 0.3425(2) 0.2122(2) 0.8735(4) 0.062(3) Uani 1 1 d U A .
H24M H 0.3427 0.1998 0.8441 0.093 Uiso 1 1 calc R . .
H24N H 0.3604 0.2191 0.8952 0.093 Uiso 1 1 calc R . .
H24O H 0.3419 0.2293 0.8585 0.093 Uiso 1 1 calc R . .
C250 C 0.3155(2) 0.1944(2) 0.9083(3) 0.049(2) Uani 1 1 d U . .
C251 C 0.3143(3) 0.1160(3) 1.0442(5) 0.102(4) Uani 1 1 d U . .
H25B H 0.3130 0.1243 1.0787 0.153 Uiso 1 1 calc R . .
H25C H 0.3351 0.1236 1.0349 0.153 Uiso 1 1 calc R . .
H25D H 0.3041 0.0944 1.0468 0.153 Uiso 1 1 calc R . .
C252 C 0.2992(3) 0.1251(3) 0.9995(4) 0.068(3) Uani 1 1 d U . .
C253 C 0.3196(2) 0.1905(2) 0.7188(4) 0.054(2) Uani 1 1 d U . .
H25E H 0.3346 0.1981 0.6903 0.081 Uiso 1 1 calc R . .
H25F H 0.3241 0.2062 0.7450 0.081 Uiso 1 1 calc R . .
H25G H 0.3001 0.1838 0.7030 0.081 Uiso 1 1 calc R . .
C254 C 0.3197(2) 0.1642(2) 0.7470(3) 0.049(2) Uani 1 1 d U . .
C255 C 0.3720(3) 0.1501(3) 0.9378(6) 0.107(5) Uani 1 1 d U . .
H25H H 0.3583 0.1539 0.9588 0.160 Uiso 1 1 calc R . .
H25I H 0.3922 0.1666 0.9423 0.160 Uiso 1 1 calc R . .
H25J H 0.3709 0.1318 0.9503 0.160 Uiso 1 1 calc R . .
C256 C 0.3633(3) 0.1471(3) 0.8780(5) 0.081(3) Uani 1 1 d U . .
C257 C 0.3395(4) 0.0639(4) 0.8850(7) 0.126(5) Uani 1 1 d U . .
H25K H 0.3224 0.0636 0.8678 0.190 Uiso 1 1 calc R . .
H25L H 0.3476 0.0793 0.9127 0.190 Uiso 1 1 calc R . .
H25M H 0.3332 0.0446 0.9015 0.190 Uiso 1 1 calc R . .
C258 C 0.3631(3) 0.0703(3) 0.8430(6) 0.104(4) Uani 1 1 d U . .
C259 C 0.4461(4) 0.1363(4) 0.8808(6) 0.130(6) Uani 1 1 d U . .
H25N H 0.4581 0.1518 0.9069 0.195 Uiso 1 1 calc R A .
H25O H 0.4488 0.1192 0.8866 0.195 Uiso 1 1 calc R . .
H25P H 0.4252 0.1303 0.8856 0.195 Uiso 1 1 calc R . .
C260 C 0.4558(3) 0.1481(3) 0.8243(5) 0.080(3) Uani 1 1 d U A .
C261 C 0.4091(3) 0.2020(2) 0.7515(5) 0.074(3) Uani 1 1 d U A .
H26M H 0.3885 0.1952 0.7420 0.111 Uiso 1 1 calc R . .
H26N H 0.4221 0.2206 0.7329 0.111 Uiso 1 1 calc R . .
H26O H 0.4117 0.2051 0.7905 0.111 Uiso 1 1 calc R . .
C262 C 0.4172(2) 0.1784(2) 0.7347(4) 0.055(2) Uani 1 1 d U . .
C263 C 0.3286(4) 0.3393(4) 0.5560(5) 0.150 Uiso 1 1 d D . .
H26P H 0.3212 0.3191 0.5431 0.225 Uiso 1 1 calc R . .
H26Q H 0.3476 0.3526 0.5387 0.225 Uiso 1 1 calc R . .
H26R H 0.3143 0.3457 0.5470 0.225 Uiso 1 1 calc R . .
C264 C 0.3329(3) 0.3404(2) 0.6180(5) 0.150 Uiso 1 1 d D . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Tb1 O37 2.220(6) . ?
Tb1 O2 2.253(6) . ?
Tb1 O6 2.259(5) . ?
Tb1 O62 2.310(6) . ?
Tb1 O58 2.333(6) . ?
Tb1 O39 2.335(7) . ?
Tb1 N1 2.457(6) . ?
Tb1 O5 2.539(6) . ?
Tb1 Cd3 3.6541(9) . ?
Tb2 O47 2.226(6) . ?
Tb2 O14 2.229(6) . ?
Tb2 O18 2.256(6) . ?
Tb2 O46 2.309(6) . ?
Tb2 O44 2.332(5) . ?
Tb2 N7 2.492(6) . ?
Tb2 O17 2.533(6) . ?
Tb2 O91 2.598(8) . ?
Tb2 Cd7 3.6347(9) . ?
Tb2 Cd8 3.6961(10) . ?
Tb3 O55 2.207(6) . ?
Tb3 O26 2.220(6) . ?
Tb3 O30 2.250(6) . ?
Tb3 O54 2.288(7) . ?
Tb3 O50 2.334(6) . ?
Tb3 N13 2.484(8) . ?
Tb3 O29 2.554(7) . ?
Tb3 Cl7 2.777(7) . ?
Tb3 Cd1 3.5948(10) . ?
Tb3 Cd2 3.7224(9) . ?
Tb4 O63 2.209(6) . ?
Tb4 O27 2.233(7) . ?
Tb4 O31 2.237(7) . ?
Tb4 O87 2.286(7) . ?
Tb4 O89 2.323(6) . ?
Tb4 N16 2.490(8) . ?
Tb4 O28 2.555(7) . ?
Tb4 Cl5 2.827(5) . ?
Tb4 Cd14 3.5976(10) . ?
Tb4 Cd13 3.6836(10) . ?
Tb5 O7 2.249(6) . ?
Tb5 O83 2.255(6) . ?
Tb5 O3 2.275(6) . ?
Tb5 O81 2.297(7) . ?
Tb5 O74 2.349(6) . ?
Tb5 O78 2.357(6) . ?
Tb5 O4 2.508(6) . ?
Tb5 N4 2.511(8) . ?
Tb5 Cd16 3.6084(9) . ?
Tb6 O19 2.217(7) . ?
Tb6 O69 2.227(7) . ?
Tb6 O15 2.238(7) . ?
Tb6 O71 2.264(8) . ?
Tb6 O68 2.294(8) . ?
Tb6 O79 2.352(7) . ?
Tb6 N10 2.475(9) . ?
Tb6 O16 2.543(7) . ?
Tb6 Cd12 3.6175(11) . ?
Tb6 Cd18 3.7000(11) . ?
Cd1 O22 2.245(7) . ?
Cd1 O53 2.250(7) . ?
Cd1 N11 2.254(10) . ?
Cd1 O26 2.279(6) . ?
Cd1 O50 2.287(6) . ?
Cd1 O25 2.512(7) . ?
Cd2 O30 2.283(6) . ?
Cd2 N15 2.296(7) . ?
Cd2 O56 2.308(6) . ?
Cd2 O57 2.325(6) . ?
Cd2 O59 2.407(7) . ?
Cd2 Cl7 2.588(5) . ?
Cd3 O34 2.255(6) . ?
Cd3 O61 2.261(6) . ?
Cd3 N17 2.265(8) . ?
Cd3 O58 2.285(6) . ?
Cd3 O2 2.346(6) . ?
Cd3 O1 2.531(6) . ?
Cd4 O34 2.223(6) . ?
Cd4 O60 2.230(7) . ?
Cd4 O61 2.301(6) . ?
Cd4 O33 2.402(7) . ?
Cd4 Cl3 2.436(3) . ?
Cd4 O59 2.547(7) . ?
Cd4 C222 2.742(11) . ?
Cd5 N3 2.272(7) . ?
Cd5 O40 2.275(9) . ?
Cd5 O38 2.307(6) . ?
Cd5 O6 2.320(5) . ?
Cd5 O43 2.403(6) . ?
Cd5 O41 2.486(7) . ?
Cd5 O39 2.601(6) . ?
Cd6 O10 2.253(6) . ?
Cd6 O42 2.283(7) . ?
Cd6 O45 2.287(6) . ?
Cd6 O41 2.342(7) . ?
Cd6 O9 2.436(6) . ?
Cd6 Cl2 2.442(3) . ?
Cd6 C204 2.649(10) . ?
Cd7 O10 2.258(6) . ?
Cd7 O45 2.264(6) . ?
Cd7 N5 2.276(8) . ?
Cd7 O44 2.288(6) . ?
Cd7 O14 2.323(5) . ?
Cd7 O13 2.529(6) . ?
Cd8 O92 2.053(9) . ?
Cd8 N9 2.289(9) . ?
Cd8 O18 2.290(6) . ?
Cd8 O48 2.292(6) . ?
Cd8 O49 2.337(7) . ?
Cd8 O51 2.485(8) . ?
Cd8 O91 2.581(9) . ?
Cd8 C264 2.743(11) . ?
Cd9 O22 2.216(7) . ?
Cd9 O53 2.270(7) . ?
Cd9 O52 2.295(8) . ?
Cd9 O21 2.418(7) . ?
Cd9 O51 2.425(8) . ?
Cd9 Cl4 2.443(3) . ?
Cd9 C214 2.751(12) . ?
Cd10 O66 2.174(11) . ?
Cd10 O23 2.227(9) . ?
Cd10 O67 2.260(8) . ?
Cd10 Cl8' 2.336(19) . ?
Cd10 O24 2.418(11) . ?
Cd10 Cl8 2.46(2) . ?
Cd10 O65 2.585(9) . ?
Cd10 C240 2.747(16) . ?
Cd11 O35 2.227(7) . ?
Cd11 O86 2.268(12) . ?
Cd11 O88 2.286(7) . ?
Cd11 O85 2.309(9) . ?
Cd11 Cl6 2.475(5) . ?
Cd11 O36 2.509(9) . ?
Cd11 C258 2.618(17) . ?
Cd12 O23 2.211(8) . ?
Cd12 O67 2.271(8) . ?
Cd12 N12 2.276(10) . ?
Cd12 O79 2.291(7) . ?
Cd12 O19 2.309(8) . ?
Cd12 O20 2.519(9) . ?
Cd13 N14 2.283(8) . ?
Cd13 O80 2.283(7) . ?
Cd13 O27 2.304(7) . ?
Cd13 O64 2.321(7) . ?
Cd13 O65 2.412(9) . ?
Cd13 Cl5 2.534(4) . ?
Cd14 O35 2.215(7) . ?
Cd14 N18 2.236(9) . ?
Cd14 O88 2.246(7) . ?
Cd14 O89 2.283(6) . ?
Cd14 O31 2.319(7) . ?
Cd14 O32 2.524(7) . ?
Cd15 O82 2.222(9) . ?
Cd15 N2 2.246(7) . ?
Cd15 O3 2.280(6) . ?
Cd15 O84 2.280(6) . ?
Cd15 O90 2.378(7) . ?
Cd15 O85 2.572(8) . ?
Cd16 N6 2.233(8) . ?
Cd16 O11 2.237(6) . ?
Cd16 O77 2.239(6) . ?
Cd16 O74 2.266(6) . ?
Cd16 O7 2.310(6) . ?
Cd16 O8 2.602(7) . ?
Cd16 O73 2.650(7) . ?
Cd17 O76 2.222(8) . ?
Cd17 O11 2.248(6) . ?
Cd17 O77 2.298(6) . ?
Cd17 O75 2.413(7) . ?
Cd17 Cl1 2.435(3) . ?
Cd17 O12 2.482(7) . ?
Cd17 C248 2.710(12) . ?
Cd18 O15 2.313(7) . ?
Cd18 O70 2.335(6) . ?
Cd18 N8 2.338(8) . ?
Cd18 O73 2.364(7) . ?
Cd18 O75 2.384(7) . ?
Cd18 O72 2.454(9) . ?
Cd18 O71 2.487(8) . ?
N1 C8 1.316(10) . ?
N1 C9 1.483(8) . ?
N2 C15 1.299(9) . ?
N2 C14 1.474(8) . ?
N3 C30 1.260(8) . ?
N3 C31 1.448(8) . ?
N4 C37 1.249(9) . ?
N4 C36 1.505(9) . ?
N5 C52 1.264(9) . ?
N5 C53 1.499(9) . ?
N6 C59 1.282(10) . ?
N6 C58 1.501(8) . ?
N7 C74 1.251(8) . ?
N7 C75 1.487(9) . ?
N8 C81 1.254(10) . ?
N8 C80 1.449(10) . ?
N9 C96 1.248(10) . ?
N9 C97 1.448(9) . ?
N10 C103 1.245(13) . ?
N10 C102 1.471(10) . ?
N11 C118 1.272(11) . ?
N11 C119 1.509(13) . ?
N12 C125 1.344(12) . ?
N12 C124 1.452(13) . ?
N13 C140 1.284(11) . ?
N13 C141 1.470(9) . ?
N14 C147 1.278(12) . ?
N14 C146 1.455(11) . ?
N15 C162 1.218(9) . ?
N15 C163 1.499(9) . ?
N16 C169 1.253(11) . ?
N16 C168 1.458(10) . ?
N17 C184 1.289(10) . ?
N17 C185 1.451(9) . ?
N18 C191 1.251(11) . ?
N18 C190 1.485(10) . ?
O1 C2 1.388(9) . ?
O1 C1 1.423(10) . ?
O2 C7 1.315(9) . ?
O3 C21 1.349(10) . ?
O4 C20 1.403(10) . ?
O4 C22 1.436(9) . ?
O5 C24 1.375(8) . ?
O5 C23 1.459(9) . ?
O6 C29 1.341(9) . ?
O7 C43 1.349(9) . ?
O8 C42 1.365(10) . ?
O8 C44 1.445(10) . ?
O9 C46 1.380(10) . ?
O9 C45 1.405(10) . ?
O10 C51 1.276(9) . ?
O11 C65 1.323(10) . ?
O12 C64 1.364(11) . ?
O12 C66 1.431(12) . ?
O13 C68 1.391(9) . ?
O13 C67 1.394(10) . ?
O14 C73 1.338(9) . ?
O15 C87 1.326(9) . ?
O16 C86 1.357(10) . ?
O16 C88 1.464(10) . ?
O17 C90 1.386(9) . ?
O17 C89 1.457(9) . ?
O18 C95 1.307(8) . ?
O19 C109 1.322(12) . ?
O20 C108 1.346(13) . ?
O20 C110 1.510(14) . ?
O21 C112 1.354(13) . ?
O21 C111 1.424(11) . ?
O22 C117 1.330(11) . ?
O23 C131 1.289(12) . ?
O24 C130 1.307(16) . ?
O24 C132 1.382(17) . ?
O25 C134 1.383(11) . ?
O25 C133 1.398(10) . ?
O26 C139 1.358(11) . ?
O27 C153 1.305(11) . ?
O28 C152 1.394(14) . ?
O28 C154 1.447(11) . ?
O29 C156 1.382(11) . ?
O29 C155 1.457(11) . ?
O30 C161 1.349(10) . ?
O31 C175 1.340(10) . ?
O32 C174 1.330(12) . ?
O32 C176 1.489(11) . ?
O33 C178 1.386(11) . ?
O33 C177 1.411(10) . ?
O34 C183 1.323(10) . ?
O35 C197 1.327(10) . ?
O36 C196 1.365(13) . ?
O36 C198 1.513(14) . ?
O37 C200 1.269(8) . ?
O38 C200 1.239(8) . ?
O39 C202 1.128(12) . ?
O40 C202 1.286(13) . ?
O41 C204 1.265(9) . ?
O42 C204 1.235(10) . ?
O43 C206 1.208(9) . ?
O44 C206 1.303(9) . ?
O45 C208 1.267(9) . ?
O46 C208 1.234(9) . ?
O47 C210 1.248(8) . ?
O48 C210 1.263(8) . ?
O49 C212 1.255(11) . ?
O50 C212 1.272(11) . ?
O51 C214 1.260(12) . ?
O52 C214 1.266(12) . ?
O53 C216 1.282(13) . ?
O54 C216 1.241(13) . ?
O55 C218 1.247(9) . ?
O56 C218 1.261(9) . ?
O57 C220 1.266(9) . ?
O58 C220 1.275(8) . ?
O59 C222 1.248(10) . ?
O60 C222 1.283(10) . ?
O61 C224 1.275(9) . ?
O62 C224 1.237(9) . ?
O63 C236 1.273(9) . ?
O64 C236 1.235(9) . ?
O65 C240 1.262(15) . ?
O66 C240 1.231(15) . ?
O67 C246 1.308(13) . ?
O68 C246 1.244(13) . ?
O69 C242 1.255(9) . ?
O70 C242 1.211(10) . ?
O71 C244 1.190(12) . ?
O72 C244 1.258(11) . ?
O73 C250 1.233(9) . ?
O74 C250 1.262(9) . ?
O75 C248 1.264(11) . ?
O76 C248 1.267(10) . ?
O77 C252 1.260(11) . ?
O78 C252 1.254(10) . ?
O79 C238 1.242(10) . ?
O80 C238 1.275(10) . ?
O81 C256 1.185(12) . ?
O82 C256 1.280(11) . ?
O83 C254 1.249(9) . ?
O84 C254 1.234(9) . ?
O85 C258 1.265(14) . ?
O86 C258 1.226(13) . ?
O87 C260 1.260(11) . ?
O88 C260 1.264(12) . ?
O89 C262 1.303(10) . ?
O90 C262 1.227(10) . ?
O91 C264 1.195(9) . ?
O92 C264 1.265(9) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.353(13) . ?
C2 C7 1.434(12) . ?
C3 C4 1.356(14) . ?
C3 H3A 0.9300 . ?
C4 C5 1.385(13) . ?
C4 H4A 0.9300 . ?
C5 C6 1.408(13) . ?
C5 H5A 0.9300 . ?
C6 C7 1.381(13) . ?
C6 C8 1.438(13) . ?
C8 H8A 0.9300 . ?
C9 C10 1.532(11) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C11 1.525(12) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.522(11) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C13 1.512(11) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.498(11) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.423(12) . ?
C15 H15A 0.9300 . ?
C16 C21 1.397(12) . ?
C16 C17 1.428(13) . ?
C17 C18 1.369(14) . ?
C17 H17A 0.9300 . ?
C18 C19 1.350(15) . ?
C18 H18A 0.9300 . ?
C19 C20 1.350(14) . ?
C19 H19A 0.9300 . ?
C20 C21 1.391(13) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 C25 1.370(12) . ?
C24 C29 1.408(12) . ?
C25 C26 1.418(13) . ?
C25 H25A 0.9300 . ?
C26 C27 1.347(12) . ?
C26 H26A 0.9300 . ?
C27 C28 1.425(12) . ?
C27 H27A 0.9300 . ?
C28 C29 1.374(12) . ?
C28 C30 1.465(12) . ?
C30 H30A 0.9300 . ?
C31 C32 1.521(11) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 C33 1.507(12) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C33 C34 1.513(12) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C34 C35 1.516(12) . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C35 C36 1.497(12) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C37 C38 1.448(13) . ?
C37 H37A 0.9300 . ?
C38 C43 1.392(13) . ?
C38 C39 1.415(14) . ?
C39 C40 1.375(15) . ?
C39 H39A 0.9300 . ?
C40 C41 1.392(15) . ?
C40 H40A 0.9300 . ?
C41 C42 1.359(14) . ?
C41 H41A 0.9300 . ?
C42 C43 1.397(13) . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C46 C47 1.384(14) . ?
C46 C51 1.415(12) . ?
C47 C48 1.348(15) . ?
C47 H47A 0.9300 . ?
C48 C49 1.392(15) . ?
C48 H48A 0.9300 . ?
C49 C50 1.422(14) . ?
C49 H49A 0.9300 . ?
C50 C52 1.436(13) . ?
C50 C51 1.447(13) . ?
C52 H52A 0.9300 . ?
C53 C54 1.523(12) . ?
C53 H53A 0.9700 . ?
C53 H53B 0.9700 . ?
C54 C55 1.523(12) . ?
C54 H54A 0.9700 . ?
C54 H54B 0.9700 . ?
C55 C56 1.536(13) . ?
C55 H55A 0.9700 . ?
C55 H55B 0.9700 . ?
C56 C57 1.508(13) . ?
C56 H56A 0.9700 . ?
C56 H56B 0.9700 . ?
C57 C58 1.488(12) . ?
C57 H57A 0.9700 . ?
C57 H57B 0.9700 . ?
C58 H58A 0.9700 . ?
C58 H58B 0.9700 . ?
C59 C60 1.456(14) . ?
C59 H59A 0.9300 . ?
C60 C61 1.410(14) . ?
C60 C65 1.415(13) . ?
C61 C62 1.336(15) . ?
C61 H61A 0.9300 . ?
C62 C63 1.379(16) . ?
C62 H62A 0.9300 . ?
C63 C64 1.383(15) . ?
C63 H63A 0.9300 . ?
C64 C65 1.439(14) . ?
C66 H66A 0.9600 . ?
C66 H66B 0.9600 . ?
C66 H66C 0.9600 . ?
C67 H67A 0.9600 . ?
C67 H67B 0.9600 . ?
C67 H67C 0.9600 . ?
C68 C69 1.361(12) . ?
C68 C73 1.423(13) . ?
C69 C70 1.395(13) . ?
C69 H69A 0.9300 . ?
C70 C71 1.340(13) . ?
C70 H70A 0.9300 . ?
C71 C72 1.417(12) . ?
C71 H71A 0.9300 . ?
C72 C73 1.411(12) . ?
C72 C74 1.465(12) . ?
C74 H74A 0.9300 . ?
C75 C76 1.501(13) . ?
C75 H75A 0.9700 . ?
C75 H75B 0.9700 . ?
C76 C77 1.508(13) . ?
C76 H76A 0.9700 . ?
C76 H76B 0.9700 . ?
C77 C78 1.551(13) . ?
C77 H77A 0.9700 . ?
C77 H77B 0.9700 . ?
C78 C79 1.542(14) . ?
C78 H78A 0.9700 . ?
C78 H78B 0.9700 . ?
C79 C80 1.524(13) . ?
C79 H79A 0.9700 . ?
C79 H79B 0.9700 . ?
C80 H80A 0.9700 . ?
C80 H80B 0.9700 . ?
C81 C82 1.444(14) . ?
C81 H81A 0.9300 . ?
C82 C87 1.387(13) . ?
C82 C83 1.437(13) . ?
C83 C84 1.364(15) . ?
C83 H83A 0.9300 . ?
C84 C85 1.423(15) . ?
C84 H84A 0.9300 . ?
C85 C86 1.371(14) . ?
C85 H85A 0.9300 . ?
C86 C87 1.433(14) . ?
C88 H88A 0.9600 . ?
C88 H88B 0.9600 . ?
C88 H88C 0.9600 . ?
C89 H89A 0.9600 . ?
C89 H89B 0.9600 . ?
C89 H89C 0.9600 . ?
C90 C91 1.398(13) . ?
C90 C95 1.402(13) . ?
C91 C92 1.420(14) . ?
C91 H91A 0.9300 . ?
C92 C93 1.347(14) . ?
C92 H92A 0.9300 . ?
C93 C94 1.448(14) . ?
C93 H93A 0.9300 . ?
C94 C95 1.382(13) . ?
C94 C96 1.448(14) . ?
C96 H96A 0.9300 . ?
C97 C98 1.477(13) . ?
C97 H97A 0.9700 . ?
C97 H97B 0.9700 . ?
C98 C99 1.546(14) . ?
C98 H98A 0.9700 . ?
C98 H98B 0.9700 . ?
C99 C100 1.568(14) . ?
C99 H99A 0.9700 . ?
C99 H99B 0.9700 . ?
C100 C101 1.520(14) . ?
C100 H10C 0.9700 . ?
C100 H10D 0.9700 . ?
C101 C102 1.555(14) . ?
C101 H10E 0.9700 . ?
C101 H10F 0.9700 . ?
C102 H10G 0.9700 . ?
C102 H10H 0.9700 . ?
C103 C104 1.473(18) . ?
C103 H10I 0.9300 . ?
C104 C109 1.376(18) . ?
C104 C105 1.473(19) . ?
C105 C106 1.35(2) . ?
C105 H10J 0.9300 . ?
C106 C107 1.39(2) . ?
C106 H10K 0.9300 . ?
C107 C108 1.324(19) . ?
C107 H10L 0.9300 . ?
C108 C109 1.392(16) . ?
C110 H11C 0.9600 . ?
C110 H11D 0.9600 . ?
C110 H11E 0.9600 . ?
C111 H11F 0.9600 . ?
C111 H11G 0.9600 . ?
C111 H11H 0.9600 . ?
C112 C113 1.352(16) . ?
C112 C117 1.422(15) . ?
C113 C114 1.385(19) . ?
C113 H11I 0.9300 . ?
C114 C115 1.343(19) . ?
C114 H11J 0.9300 . ?
C115 C116 1.384(18) . ?
C115 H11K 0.9300 . ?
C116 C117 1.369(15) . ?
C116 C118 1.428(15) . ?
C118 H11L 0.9300 . ?
C119 C120 1.411(18) . ?
C119 H11M 0.9700 . ?
C119 H11N 0.9700 . ?
C120 C121 1.55(2) . ?
C120 C268 1.59(4) . ?
C120 H12C 0.9700 . ?
C120 H12D 0.9700 . ?
C121 C122 1.47(3) . ?
C121 H12E 0.9700 . ?
C121 H12F 0.9700 . ?
C122 C123 1.58(2) . ?
C122 H12G 0.9700 . ?
C122 H12H 0.9700 . ?
C268 C269 1.53(6) . ?
C268 H26W 0.9700 . ?
C268 H26J 0.9700 . ?
C269 C123 1.69(4) . ?
C269 H26H 0.9700 . ?
C269 H26I 0.9700 . ?
C149 C150 1.33(3) . ?
C149 C148 1.42(2) . ?
C149 H14Q 0.9300 . ?
C150 C151 1.44(3) . ?
C150 H15B 0.9300 . ?
C151 C152 1.37(2) . ?
C151 H15D 0.9300 . ?
C265 C266 1.48(4) . ?
C265 C148 1.57(4) . ?
C265 H26X 0.9300 . ?
C266 C267 1.43(4) . ?
C266 H26Y 0.9300 . ?
C267 C152 1.67(3) . ?
C267 H26Z 0.9300 . ?
C123 C124 1.464(19) . ?
C123 H12I 0.9300 . ?
C124 H12J 0.9700 . ?
C124 H12K 0.9700 . ?
C125 C126 1.396(17) . ?
C125 H12L 0.9300 . ?
C126 C131 1.381(16) . ?
C126 C127 1.41(2) . ?
C127 C128 1.39(3) . ?
C127 H12M 0.9300 . ?
C128 C129 1.53(3) . ?
C128 H12O 0.9300 . ?
C129 C130 1.26(3) . ?
C129 H12Q 0.9300 . ?
C130 C131 1.419(17) . ?
C132 H13C 0.9600 . ?
C132 H13D 0.9600 . ?
C132 H13E 0.9600 . ?
C133 H13F 0.9600 . ?
C133 H13G 0.9600 . ?
C133 H13H 0.9600 . ?
C134 C135 1.392(15) . ?
C134 C139 1.397(14) . ?
C135 C136 1.389(17) . ?
C135 H13I 0.9300 . ?
C136 C137 1.303(16) . ?
C136 H13J 0.9300 . ?
C137 C138 1.391(16) . ?
C137 H13K 0.9300 . ?
C138 C139 1.347(15) . ?
C138 C140 1.500(15) . ?
C140 H14C 0.9300 . ?
C141 C142 1.489(14) . ?
C141 H14D 0.9700 . ?
C141 H14E 0.9700 . ?
C142 C143 1.560(13) . ?
C142 H14F 0.9700 . ?
C142 H14G 0.9700 . ?
C143 C144 1.533(14) . ?
C143 H14H 0.9700 . ?
C143 H14I 0.9700 . ?
C144 C145 1.496(13) . ?
C144 H14J 0.9700 . ?
C144 H14K 0.9700 . ?
C145 C146 1.487(14) . ?
C145 H14L 0.9700 . ?
C145 H14M 0.9700 . ?
C146 H14N 0.9700 . ?
C146 H14O 0.9700 . ?
C147 C148 1.418(17) . ?
C147 H14P 0.9300 . ?
C148 C153 1.408(15) . ?
C152 C153 1.399(13) . ?
C154 H15F 0.9600 . ?
C154 H15G 0.9600 . ?
C154 H15H 0.9600 . ?
C155 H15I 0.9600 . ?
C155 H15J 0.9600 . ?
C155 H15K 0.9600 . ?
C156 C157 1.354(15) . ?
C156 C161 1.398(14) . ?
C157 C158 1.407(17) . ?
C157 H15L 0.9300 . ?
C158 C159 1.381(16) . ?
C158 H15M 0.9300 . ?
C159 C160 1.412(14) . ?
C159 H15N 0.9300 . ?
C160 C161 1.391(14) . ?
C160 C162 1.436(14) . ?
C162 H16A 0.9300 . ?
C163 C164 1.507(12) . ?
C163 H16B 0.9700 . ?
C163 H16C 0.9700 . ?
C164 C165 1.522(13) . ?
C164 H16D 0.9700 . ?
C164 H16E 0.9700 . ?
C165 C166 1.532(13) . ?
C165 H16F 0.9700 . ?
C165 H16G 0.9700 . ?
C166 C167 1.519(13) . ?
C166 H16H 0.9700 . ?
C166 H16I 0.9700 . ?
C167 C168 1.518(14) . ?
C167 H16J 0.9700 . ?
C167 H16K 0.9700 . ?
C168 H16L 0.9700 . ?
C168 H16M 0.9700 . ?
C169 C170 1.464(14) . ?
C169 H16N 0.9300 . ?
C170 C175 1.385(15) . ?
C170 C171 1.407(15) . ?
C171 C172 1.394(16) . ?
C171 H17B 0.9300 . ?
C172 C173 1.352(17) . ?
C172 H17C 0.9300 . ?
C173 C174 1.398(16) . ?
C173 H17D 0.9300 . ?
C174 C175 1.394(15) . ?
C176 H17E 0.9600 . ?
C176 H17F 0.9600 . ?
C176 H17G 0.9600 . ?
C177 H17H 0.9600 . ?
C177 H17I 0.9600 . ?
C177 H17J 0.9600 . ?
C178 C179 1.377(14) . ?
C178 C183 1.414(13) . ?
C179 C180 1.351(15) . ?
C179 H17K 0.9300 . ?
C180 C181 1.383(15) . ?
C180 H18B 0.9300 . ?
C181 C182 1.426(14) . ?
C181 H18C 0.9300 . ?
C182 C183 1.364(13) . ?
C182 C184 1.478(14) . ?
C184 H18D 0.9300 . ?
C185 C186 1.521(14) . ?
C185 H18E 0.9700 . ?
C185 H18F 0.9700 . ?
C186 C187 1.536(14) . ?
C186 H18G 0.9700 . ?
C186 H18H 0.9700 . ?
C187 C188 1.493(14) . ?
C187 H18I 0.9700 . ?
C187 H18J 0.9700 . ?
C188 C189 1.502(14) . ?
C188 H18K 0.9700 . ?
C188 H18L 0.9700 . ?
C189 C190 1.488(13) . ?
C189 H18M 0.9700 . ?
C189 H18N 0.9700 . ?
C190 H19B 0.9700 . ?
C190 H19C 0.9700 . ?
C191 C192 1.453(15) . ?
C191 H19D 0.9300 . ?
C192 C197 1.375(15) . ?
C192 C193 1.387(15) . ?
C193 C194 1.366(17) . ?
C193 H19E 0.9300 . ?
C194 C195 1.312(18) . ?
C194 H19F 0.9300 . ?
C195 C196 1.399(17) . ?
C195 H19G 0.9300 . ?
C196 C197 1.398(15) . ?
C198 H19H 0.9600 . ?
C198 H19I 0.9600 . ?
C198 H19J 0.9600 . ?
C199 C200 1.509(12) . ?
C199 H19K 0.9600 . ?
C199 H19L 0.9600 . ?
C199 H19M 0.9600 . ?
C201 C202 1.48(2) . ?
C201 H20A 0.9600 . ?
C201 H20B 0.9600 . ?
C201 H20C 0.9600 . ?
C203 C204 1.527(14) . ?
C203 H20D 0.9600 . ?
C203 H20E 0.9600 . ?
C203 H20F 0.9600 . ?
C205 C206 1.538(12) . ?
C205 H20G 0.9600 . ?
C205 H20H 0.9600 . ?
C205 H20I 0.9600 . ?
C207 C208 1.502(14) . ?
C207 H20J 0.9600 . ?
C207 H20K 0.9600 . ?
C207 H20L 0.9600 . ?
C209 C210 1.497(12) . ?
C209 H20M 0.9600 . ?
C209 H20N 0.9600 . ?
C209 H20O 0.9600 . ?
C211 C212 1.510(14) . ?
C211 H21A 0.9600 . ?
C211 H21B 0.9600 . ?
C211 H21C 0.9600 . ?
C213 C214 1.497(16) . ?
C213 H21D 0.9600 . ?
C213 H21E 0.9600 . ?
C213 H21F 0.9600 . ?
C215 C216 1.603(17) . ?
C215 H21G 0.9600 . ?
C215 H21H 0.9600 . ?
C215 H21I 0.9600 . ?
C217 C218 1.503(12) . ?
C217 H21J 0.9600 . ?
C217 H21K 0.9600 . ?
C217 H21L 0.9600 . ?
C219 C220 1.497(13) . ?
C219 H21M 0.9600 . ?
C219 H21N 0.9600 . ?
C219 H21O 0.9600 . ?
C221 C222 1.501(16) . ?
C221 H22D 0.9600 . ?
C221 H22E 0.9600 . ?
C221 H22F 0.9600 . ?
C223 C224 1.523(14) . ?
C223 H22G 0.9600 . ?
C223 H22H 0.9600 . ?
C223 H22I 0.9600 . ?
C235 C236 1.489(13) . ?
C235 H23D 0.9600 . ?
C235 H23E 0.9600 . ?
C235 H23F 0.9600 . ?
C237 C238 1.481(14) . ?
C237 H23G 0.9600 . ?
C237 H23H 0.9600 . ?
C237 H23I 0.9600 . ?
C239 C240 1.53(2) . ?
C239 H23J 0.9600 . ?
C239 H23K 0.9600 . ?
C239 H23L 0.9600 . ?
C241 C242 1.543(13) . ?
C241 H24A 0.9600 . ?
C241 H24B 0.9600 . ?
C241 H24C 0.9600 . ?
C243 C244 1.519(17) . ?
C243 H24D 0.9600 . ?
C243 H24E 0.9600 . ?
C243 H24F 0.9600 . ?
C245 C246 1.521(17) . ?
C245 H24G 0.9600 . ?
C245 H24H 0.9600 . ?
C245 H24I 0.9600 . ?
C247 C248 1.501(15) . ?
C247 H24J 0.9600 . ?
C247 H24K 0.9600 . ?
C247 H24L 0.9600 . ?
C249 C250 1.485(13) . ?
C249 H24M 0.9600 . ?
C249 H24N 0.9600 . ?
C249 H24O 0.9600 . ?
C251 C252 1.534(15) . ?
C251 H25B 0.9600 . ?
C251 H25C 0.9600 . ?
C251 H25D 0.9600 . ?
C253 C254 1.511(12) . ?
C253 H25E 0.9600 . ?
C253 H25F 0.9600 . ?
C253 H25G 0.9600 . ?
C255 C256 1.506(17) . ?
C255 H25H 0.9600 . ?
C255 H25I 0.9600 . ?
C255 H25J 0.9600 . ?
C257 C258 1.49(2) . ?
C257 H25K 0.9600 . ?
C257 H25L 0.9600 . ?
C257 H25M 0.9600 . ?
C259 C260 1.484(18) . ?
C259 H25N 0.9600 . ?
C259 H25O 0.9600 . ?
C259 H25P 0.9600 . ?
C261 C262 1.515(13) . ?
C261 H26M 0.9600 . ?
C261 H26N 0.9600 . ?
C261 H26O 0.9600 . ?
C263 C264 1.523(9) . ?
C263 H26P 0.9600 . ?
C263 H26Q 0.9600 . ?
C263 H26R 0.9600 . ?

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
O37 Tb1 O2 114.4(2) . . ?
O37 Tb1 O6 86.4(2) . . ?
O2 Tb1 O6 136.5(2) . . ?
O37 Tb1 O62 148.1(2) . . ?
O2 Tb1 O62 81.1(2) . . ?
O6 Tb1 O62 101.3(2) . . ?
O37 Tb1 O58 78.2(2) . . ?
O2 Tb1 O58 70.2(2) . . ?
O6 Tb1 O58 153.3(2) . . ?
O62 Tb1 O58 81.8(2) . . ?
O37 Tb1 O39 77.6(2) . . ?
O2 Tb1 O39 144.6(2) . . ?
O6 Tb1 O39 74.5(2) . . ?
O62 Tb1 O39 74.8(2) . . ?
O58 Tb1 O39 80.9(2) . . ?
O37 Tb1 N1 74.8(2) . . ?
O2 Tb1 N1 74.0(2) . . ?
O6 Tb1 N1 75.7(2) . . ?
O62 Tb1 N1 137.1(2) . . ?
O58 Tb1 N1 119.9(2) . . ?
O39 Tb1 N1 140.3(2) . . ?
O37 Tb1 O5 139.92(19) . . ?
O2 Tb1 O5 77.5(2) . . ?
O6 Tb1 O5 63.83(18) . . ?
O62 Tb1 O5 68.4(2) . . ?
O58 Tb1 O5 138.95(19) . . ?
O39 Tb1 O5 115.7(2) . . ?
N1 Tb1 O5 72.3(2) . . ?
O37 Tb1 Cd3 109.42(15) . . ?
O2 Tb1 Cd3 38.27(14) . . ?
O6 Tb1 Cd3 164.15(13) . . ?
O62 Tb1 Cd3 64.69(15) . . ?
O58 Tb1 Cd3 37.25(14) . . ?
O39 Tb1 Cd3 106.88(15) . . ?
N1 Tb1 Cd3 108.95(16) . . ?
O5 Tb1 Cd3 102.52(13) . . ?
O47 Tb2 O14 114.1(2) . . ?
O47 Tb2 O18 88.0(2) . . ?
O14 Tb2 O18 134.8(2) . . ?
O47 Tb2 O46 146.2(2) . . ?
O14 Tb2 O46 81.0(2) . . ?
O18 Tb2 O46 102.4(2) . . ?
O47 Tb2 O44 78.4(2) . . ?
O14 Tb2 O44 70.7(2) . . ?
O18 Tb2 O44 154.6(2) . . ?
O46 Tb2 O44 78.9(2) . . ?
O47 Tb2 N7 75.0(2) . . ?
O14 Tb2 N7 74.0(2) . . ?
O18 Tb2 N7 74.8(2) . . ?
O46 Tb2 N7 138.6(2) . . ?
O44 Tb2 N7 121.0(2) . . ?
O47 Tb2 O17 141.64(19) . . ?
O14 Tb2 O17 75.8(2) . . ?
O18 Tb2 O17 64.1(2) . . ?
O46 Tb2 O17 69.6(2) . . ?
O44 Tb2 O17 136.84(19) . . ?
N7 Tb2 O17 72.6(2) . . ?
O47 Tb2 O91 78.1(2) . . ?
O14 Tb2 O91 145.4(2) . . ?
O18 Tb2 O91 74.9(2) . . ?
O46 Tb2 O91 73.9(3) . . ?
O44 Tb2 O91 81.3(2) . . ?
N7 Tb2 O91 139.8(3) . . ?
O17 Tb2 O91 115.7(2) . . ?
O47 Tb2 Cd7 109.30(14) . . ?
O14 Tb2 Cd7 37.91(14) . . ?
O18 Tb2 Cd7 162.66(14) . . ?
O46 Tb2 Cd7 63.29(16) . . ?
O44 Tb2 Cd7 37.69(14) . . ?
N7 Tb2 Cd7 108.77(16) . . ?
O17 Tb2 Cd7 100.20(13) . . ?
O91 Tb2 Cd7 108.1(2) . . ?
O47 Tb2 Cd8 66.74(15) . . ?
O14 Tb2 Cd8 169.94(14) . . ?
O18 Tb2 Cd8 35.92(15) . . ?
O46 Tb2 Cd8 103.74(16) . . ?
O44 Tb2 Cd8 118.72(14) . . ?
N7 Tb2 Cd8 97.02(16) . . ?
O17 Tb2 Cd8 97.40(14) . . ?
O91 Tb2 Cd8 44.3(2) . . ?
Cd7 Tb2 Cd8 152.13(2) . . ?
O55 Tb3 O26 114.8(2) . . ?
O55 Tb3 O30 87.5(2) . . ?
O26 Tb3 O30 135.2(2) . . ?
O55 Tb3 O54 144.4(3) . . ?
O26 Tb3 O54 82.1(3) . . ?
O30 Tb3 O54 102.2(3) . . ?
O55 Tb3 O50 78.0(2) . . ?
O26 Tb3 O50 70.4(2) . . ?
O30 Tb3 O50 154.4(2) . . ?
O54 Tb3 O50 79.1(3) . . ?
O55 Tb3 N13 74.1(2) . . ?
O26 Tb3 N13 74.1(3) . . ?
O30 Tb3 N13 76.0(3) . . ?
O54 Tb3 N13 141.4(3) . . ?
O50 Tb3 N13 119.0(3) . . ?
O55 Tb3 O29 142.7(2) . . ?
O26 Tb3 O29 76.9(2) . . ?
O30 Tb3 O29 64.0(2) . . ?
O54 Tb3 O29 69.2(3) . . ?
O50 Tb3 O29 137.0(2) . . ?
N13 Tb3 O29 75.9(3) . . ?
O55 Tb3 Cl7 77.7(2) . . ?
O26 Tb3 Cl7 145.62(19) . . ?
O30 Tb3 Cl7 74.1(2) . . ?
O54 Tb3 Cl7 72.4(2) . . ?
O50 Tb3 Cl7 82.2(2) . . ?
N13 Tb3 Cl7 139.4(2) . . ?
O29 Tb3 Cl7 113.4(2) . . ?
O55 Tb3 Cd1 110.40(16) . . ?
O26 Tb3 Cd1 37.52(16) . . ?
O30 Tb3 Cd1 162.07(16) . . ?
O54 Tb3 Cd1 63.2(2) . . ?
O50 Tb3 Cd1 38.46(16) . . ?
N13 Tb3 Cd1 108.32(19) . . ?
O29 Tb3 Cd1 99.65(16) . . ?
Cl7 Tb3 Cd1 108.68(10) . . ?
O55 Tb3 Cd2 66.89(16) . . ?
O26 Tb3 Cd2 169.76(17) . . ?
O30 Tb3 Cd2 35.09(16) . . ?
O54 Tb3 Cd2 102.2(2) . . ?
O50 Tb3 Cd2 119.35(16) . . ?
N13 Tb3 Cd2 97.32(19) . . ?
O29 Tb3 Cd2 95.85(16) . . ?
Cl7 Tb3 Cd2 44.00(10) . . ?
Cd1 Tb3 Cd2 152.56(2) . . ?
O63 Tb4 O27 87.0(2) . . ?
O63 Tb4 O31 113.8(2) . . ?
O27 Tb4 O31 134.6(2) . . ?
O63 Tb4 O87 146.6(3) . . ?
O27 Tb4 O87 104.2(3) . . ?
O31 Tb4 O87 80.6(3) . . ?
O63 Tb4 O89 77.8(2) . . ?
O27 Tb4 O89 152.6(2) . . ?
O31 Tb4 O89 72.8(2) . . ?
O87 Tb4 O89 78.4(2) . . ?
O63 Tb4 N16 73.8(2) . . ?
O27 Tb4 N16 74.7(3) . . ?
O31 Tb4 N16 73.5(3) . . ?
O87 Tb4 N16 139.3(3) . . ?
O89 Tb4 N16 121.3(3) . . ?
O63 Tb4 O28 141.0(2) . . ?
O27 Tb4 O28 64.0(2) . . ?
O31 Tb4 O28 76.5(3) . . ?
O87 Tb4 O28 69.9(3) . . ?
O89 Tb4 O28 138.7(2) . . ?
N16 Tb4 O28 73.7(3) . . ?
O63 Tb4 Cl5 78.72(19) . . ?
O27 Tb4 Cl5 73.5(2) . . ?
O31 Tb4 Cl5 147.1(2) . . ?
O87 Tb4 Cl5 74.7(2) . . ?
O89 Tb4 Cl5 81.13(19) . . ?
N16 Tb4 Cl5 138.7(2) . . ?
O28 Tb4 Cl5 113.8(2) . . ?
O63 Tb4 Cd14 108.11(16) . . ?
O27 Tb4 Cd14 164.89(16) . . ?
O31 Tb4 Cd14 38.66(18) . . ?
O87 Tb4 Cd14 63.54(19) . . ?
O89 Tb4 Cd14 38.25(16) . . ?
N16 Tb4 Cd14 108.19(18) . . ?
O28 Tb4 Cd14 102.16(17) . . ?
Cl5 Tb4 Cd14 109.39(8) . . ?
O63 Tb4 Cd13 65.18(17) . . ?
O27 Tb4 Cd13 36.37(17) . . ?
O31 Tb4 Cd13 169.41(18) . . ?
O87 Tb4 Cd13 106.0(2) . . ?
O89 Tb4 Cd13 116.29(16) . . ?
N16 Tb4 Cd13 96.41(18) . . ?
O28 Tb4 Cd13 97.75(18) . . ?
Cl5 Tb4 Cd13 43.36(8) . . ?
Cd14 Tb4 Cd13 151.79(2) . . ?
O7 Tb5 O83 113.3(2) . . ?
O7 Tb5 O3 135.6(2) . . ?
O83 Tb5 O3 86.3(2) . . ?
O7 Tb5 O81 145.7(2) . . ?
O83 Tb5 O81 79.7(2) . . ?
O3 Tb5 O81 74.1(2) . . ?
O7 Tb5 O74 72.4(2) . . ?
O83 Tb5 O74 75.8(2) . . ?
O3 Tb5 O74 151.7(2) . . ?
O81 Tb5 O74 81.1(2) . . ?
O7 Tb5 O78 78.1(2) . . ?
O83 Tb5 O78 147.1(2) . . ?
O3 Tb5 O78 107.2(2) . . ?
O81 Tb5 O78 75.7(2) . . ?
O74 Tb5 O78 79.1(2) . . ?
O7 Tb5 O4 76.9(2) . . ?
O83 Tb5 O4 142.3(2) . . ?
O3 Tb5 O4 65.3(2) . . ?
O81 Tb5 O4 112.9(2) . . ?
O74 Tb5 O4 139.3(2) . . ?
O78 Tb5 O4 68.8(2) . . ?
O7 Tb5 N4 72.9(2) . . ?
O83 Tb5 N4 73.3(2) . . ?
O3 Tb5 N4 75.9(2) . . ?
O81 Tb5 N4 140.5(2) . . ?
O74 Tb5 N4 118.2(2) . . ?
O78 Tb5 N4 138.4(2) . . ?
O4 Tb5 N4 76.0(2) . . ?
O7 Tb5 Cd16 38.27(16) . . ?
O83 Tb5 Cd16 105.53(15) . . ?
O3 Tb5 Cd16 168.07(14) . . ?
O81 Tb5 Cd16 108.80(17) . . ?
O74 Tb5 Cd16 37.74(15) . . ?
O78 Tb5 Cd16 63.47(16) . . ?
O4 Tb5 Cd16 103.36(14) . . ?
N4 Tb5 Cd16 105.85(17) . . ?
O19 Tb6 O69 114.9(3) . . ?
O19 Tb6 O15 137.4(2) . . ?
O69 Tb6 O15 87.2(2) . . ?
O19 Tb6 O71 144.5(3) . . ?
O69 Tb6 O71 76.6(3) . . ?
O15 Tb6 O71 73.4(3) . . ?
O19 Tb6 O68 80.2(3) . . ?
O69 Tb6 O68 147.9(3) . . ?
O15 Tb6 O68 100.4(3) . . ?
O71 Tb6 O68 75.9(3) . . ?
O19 Tb6 O79 71.6(3) . . ?
O69 Tb6 O79 77.7(3) . . ?
O15 Tb6 O79 151.0(2) . . ?
O71 Tb6 O79 79.1(3) . . ?
O68 Tb6 O79 81.2(3) . . ?
O19 Tb6 N10 74.3(3) . . ?
O69 Tb6 N10 74.2(3) . . ?
O15 Tb6 N10 78.0(3) . . ?
O71 Tb6 N10 139.7(3) . . ?
O68 Tb6 N10 137.8(3) . . ?
O79 Tb6 N10 120.1(3) . . ?
O19 Tb6 O16 76.0(2) . . ?
O69 Tb6 O16 139.6(3) . . ?
O15 Tb6 O16 64.8(2) . . ?
O71 Tb6 O16 118.1(3) . . ?
O68 Tb6 O16 69.6(3) . . ?
O79 Tb6 O16 139.4(2) . . ?
N10 Tb6 O16 71.9(3) . . ?
O19 Tb6 Cd12 37.8(2) . . ?
O69 Tb6 Cd12 108.91(18) . . ?
O15 Tb6 Cd12 163.66(16) . . ?
O71 Tb6 Cd12 107.2(2) . . ?
O68 Tb6 Cd12 64.7(2) . . ?
O79 Tb6 Cd12 38.22(17) . . ?
N10 Tb6 Cd12 108.2(2) . . ?
O16 Tb6 Cd12 102.08(17) . . ?
O19 Tb6 Cd18 173.65(19) . . ?
O69 Tb6 Cd18 67.30(19) . . ?
O15 Tb6 Cd18 36.31(16) . . ?
O71 Tb6 Cd18 41.1(2) . . ?
O68 Tb6 Cd18 101.0(2) . . ?
O79 Tb6 Cd18 114.76(18) . . ?
N10 Tb6 Cd18 101.2(2) . . ?
O16 Tb6 Cd18 98.45(17) . . ?
Cd12 Tb6 Cd18 148.18(2) . . ?
O22 Cd1 O53 74.9(2) . . ?
O22 Cd1 N11 82.9(3) . . ?
O53 Cd1 N11 155.8(3) . . ?
O22 Cd1 O26 153.4(2) . . ?
O53 Cd1 O26 98.6(3) . . ?
N11 Cd1 O26 97.0(3) . . ?
O22 Cd1 O50 134.7(2) . . ?
O53 Cd1 O50 91.7(2) . . ?
N11 Cd1 O50 111.0(3) . . ?
O26 Cd1 O50 70.2(2) . . ?
O22 Cd1 O25 86.5(2) . . ?
O53 Cd1 O25 83.8(2) . . ?
N11 Cd1 O25 85.5(3) . . ?
O26 Cd1 O25 67.0(2) . . ?
O50 Cd1 O25 135.7(2) . . ?
O22 Cd1 Tb3 155.52(18) . . ?
O53 Cd1 Tb3 81.34(17) . . ?
N11 Cd1 Tb3 121.5(2) . . ?
O26 Cd1 Tb3 36.39(16) . . ?
O50 Cd1 Tb3 39.39(15) . . ?
O25 Cd1 Tb3 96.59(16) . . ?
O30 Cd2 N15 78.9(2) . . ?
O30 Cd2 O56 93.9(2) . . ?
N15 Cd2 O56 94.2(2) . . ?
O30 Cd2 O57 168.6(2) . . ?
N15 Cd2 O57 90.9(2) . . ?
O56 Cd2 O57 92.0(2) . . ?
O30 Cd2 O59 88.5(2) . . ?
N15 Cd2 O59 84.6(3) . . ?
O56 Cd2 O59 177.0(2) . . ?
O57 Cd2 O59 85.3(2) . . ?
O30 Cd2 Cl7 77.5(2) . . ?
N15 Cd2 Cl7 155.9(2) . . ?
O56 Cd2 Cl7 82.7(2) . . ?
O57 Cd2 Cl7 113.0(2) . . ?
O59 Cd2 Cl7 99.6(2) . . ?
O30 Cd2 Tb3 34.51(16) . . ?
N15 Cd2 Tb3 107.93(19) . . ?
O56 Cd2 Tb3 73.78(15) . . ?
O57 Cd2 Tb3 156.83(15) . . ?
O59 Cd2 Tb3 109.19(17) . . ?
Cl7 Cd2 Tb3 48.20(16) . . ?
O34 Cd3 O61 75.2(2) . . ?
O34 Cd3 N17 81.3(3) . . ?
O61 Cd3 N17 154.2(3) . . ?
O34 Cd3 O58 135.7(2) . . ?
O61 Cd3 O58 87.7(2) . . ?
N17 Cd3 O58 116.9(3) . . ?
O34 Cd3 O2 151.3(2) . . ?
O61 Cd3 O2 95.8(2) . . ?
N17 Cd3 O2 99.8(2) . . ?
O58 Cd3 O2 69.4(2) . . ?
O34 Cd3 O1 86.9(2) . . ?
O61 Cd3 O1 87.1(2) . . ?
N17 Cd3 O1 81.2(3) . . ?
O58 Cd3 O1 133.4(2) . . ?
O2 Cd3 O1 65.20(19) . . ?
O34 Cd3 Tb1 152.62(16) . . ?
O61 Cd3 Tb1 77.68(16) . . ?
N17 Cd3 Tb1 126.1(2) . . ?
O58 Cd3 Tb1 38.15(15) . . ?
O2 Cd3 Tb1 36.50(14) . . ?
O1 Cd3 Tb1 95.75(14) . . ?
O34 Cd4 O60 143.7(3) . . ?
O34 Cd4 O61 75.1(2) . . ?
O60 Cd4 O61 107.7(3) . . ?
O34 Cd4 O33 68.8(2) . . ?
O60 Cd4 O33 96.6(3) . . ?
O61 Cd4 O33 142.8(2) . . ?
O34 Cd4 Cl3 106.6(2) . . ?
O60 Cd4 Cl3 108.6(2) . . ?
O61 Cd4 Cl3 98.12(18) . . ?
O33 Cd4 Cl3 100.3(2) . . ?
O34 Cd4 O59 90.3(2) . . ?
O60 Cd4 O59 54.4(2) . . ?
O61 Cd4 O59 87.5(2) . . ?
O33 Cd4 O59 84.3(3) . . ?
Cl3 Cd4 O59 163.04(18) . . ?
O34 Cd4 C222 117.1(2) . . ?
O60 Cd4 C222 27.5(2) . . ?
O61 Cd4 C222 97.2(2) . . ?
O33 Cd4 C222 91.6(2) . . ?
Cl3 Cd4 C222 136.1(2) . . ?
O59 Cd4 C222 27.0(2) . . ?
N3 Cd5 O40 152.7(3) . . ?
N3 Cd5 O38 95.0(2) . . ?
O40 Cd5 O38 110.9(3) . . ?
N3 Cd5 O6 80.3(2) . . ?
O40 Cd5 O6 106.7(3) . . ?
O38 Cd5 O6 91.7(2) . . ?
N3 Cd5 O43 90.9(2) . . ?
O40 Cd5 O43 81.0(3) . . ?
O38 Cd5 O43 89.4(2) . . ?
O6 Cd5 O43 171.2(2) . . ?
N3 Cd5 O41 81.2(2) . . ?
O40 Cd5 O41 73.4(3) . . ?
O38 Cd5 O41 175.3(2) . . ?
O6 Cd5 O41 85.0(2) . . ?
O43 Cd5 O41 93.4(2) . . ?
N3 Cd5 O39 148.2(2) . . ?
O40 Cd5 O39 50.6(3) . . ?
O38 Cd5 O39 80.0(2) . . ?
O6 Cd5 O39 68.6(2) . . ?
O43 Cd5 O39 120.2(2) . . ?
O41 Cd5 O39 101.9(2) . . ?
O10 Cd6 O42 155.4(2) . . ?
O10 Cd6 O45 75.5(2) . . ?
O42 Cd6 O45 107.4(2) . . ?
O10 Cd6 O41 99.2(2) . . ?
O42 Cd6 O41 56.2(2) . . ?
O45 Cd6 O41 101.6(3) . . ?
O10 Cd6 O9 66.9(2) . . ?
O42 Cd6 O9 106.6(2) . . ?
O45 Cd6 O9 142.5(2) . . ?
O41 Cd6 O9 84.5(2) . . ?
O10 Cd6 Cl2 106.90(17) . . ?
O42 Cd6 Cl2 96.36(17) . . ?
O45 Cd6 Cl2 102.68(17) . . ?
O41 Cd6 Cl2 147.91(19) . . ?
O9 Cd6 Cl2 88.85(18) . . ?
O10 Cd6 C204 127.7(2) . . ?
O42 Cd6 C204 27.7(2) . . ?
O45 Cd6 C204 107.9(2) . . ?
O41 Cd6 C204 28.5(2) . . ?
O9 Cd6 C204 95.1(2) . . ?
Cl2 Cd6 C204 122.0(2) . . ?
O10 Cd7 O45 75.9(2) . . ?
O10 Cd7 N5 82.0(2) . . ?
O45 Cd7 N5 154.9(2) . . ?
O10 Cd7 O44 134.8(2) . . ?
O45 Cd7 O44 87.4(2) . . ?
N5 Cd7 O44 117.0(2) . . ?
O10 Cd7 O14 152.7(2) . . ?
O45 Cd7 O14 97.2(2) . . ?
N5 Cd7 O14 96.9(2) . . ?
O44 Cd7 O14 69.8(2) . . ?
O10 Cd7 O13 87.60(19) . . ?
O45 Cd7 O13 85.8(2) . . ?
N5 Cd7 O13 81.3(2) . . ?
O44 Cd7 O13 133.34(19) . . ?
O14 Cd7 O13 65.39(19) . . ?
O10 Cd7 Tb2 154.54(16) . . ?
O45 Cd7 Tb2 79.01(16) . . ?
N5 Cd7 Tb2 123.40(19) . . ?
O44 Cd7 Tb2 38.55(13) . . ?
O14 Cd7 Tb2 36.13(14) . . ?
O13 Cd7 Tb2 94.95(13) . . ?
O92 Cd8 N9 142.9(3) . . ?
O92 Cd8 O18 107.9(3) . . ?
N9 Cd8 O18 80.6(3) . . ?
O92 Cd8 O48 119.1(3) . . ?
N9 Cd8 O48 95.4(2) . . ?
O18 Cd8 O48 94.4(2) . . ?
O92 Cd8 O49 74.9(3) . . ?
N9 Cd8 O49 91.3(3) . . ?
O18 Cd8 O49 169.8(2) . . ?
O48 Cd8 O49 92.6(2) . . ?
O92 Cd8 O51 62.4(3) . . ?
N9 Cd8 O51 83.1(3) . . ?
O18 Cd8 O51 85.3(3) . . ?
O48 Cd8 O51 178.5(3) . . ?
O49 Cd8 O51 87.5(3) . . ?
O92 Cd8 O91 51.5(3) . . ?
N9 Cd8 O91 155.2(3) . . ?
O18 Cd8 O91 74.7(2) . . ?
O48 Cd8 O91 84.1(2) . . ?
O49 Cd8 O91 113.5(3) . . ?
O51 Cd8 O91 97.3(3) . . ?
O92 Cd8 C264 25.8(2) . . ?
N9 Cd8 C264 160.2(4) . . ?
O18 Cd8 C264 90.6(3) . . ?
O48 Cd8 C264 102.9(3) . . ?
O49 Cd8 C264 95.1(3) . . ?
O51 Cd8 C264 78.6(3) . . ?
O91 Cd8 C264 25.70(17) . . ?
O92 Cd8 Tb2 92.1(2) . . ?
N9 Cd8 Tb2 111.2(2) . . ?
O18 Cd8 Tb2 35.31(15) . . ?
O48 Cd8 Tb2 74.64(16) . . ?
O49 Cd8 Tb2 154.75(18) . . ?
O51 Cd8 Tb2 105.9(2) . . ?
O91 Cd8 Tb2 44.66(17) . . ?
C264 Cd8 Tb2 67.6(2) . . ?
O22 Cd9 O53 75.0(2) . . ?
O22 Cd9 O52 153.8(3) . . ?
O53 Cd9 O52 109.6(3) . . ?
O22 Cd9 O21 67.6(2) . . ?
O53 Cd9 O21 142.2(2) . . ?
O52 Cd9 O21 101.7(3) . . ?
O22 Cd9 O51 100.5(3) . . ?
O53 Cd9 O51 91.0(3) . . ?
O52 Cd9 O51 54.4(3) . . ?
O21 Cd9 O51 90.3(3) . . ?
O22 Cd9 Cl4 107.9(2) . . ?
O53 Cd9 Cl4 105.5(2) . . ?
O52 Cd9 Cl4 95.9(2) . . ?
O21 Cd9 Cl4 91.48(19) . . ?
O51 Cd9 Cl4 149.9(2) . . ?
O22 Cd9 C214 127.4(2) . . ?
O53 Cd9 C214 101.7(3) . . ?
O52 Cd9 C214 27.2(2) . . ?
O21 Cd9 C214 96.5(3) . . ?
O51 Cd9 C214 27.3(2) . . ?
Cl4 Cd9 C214 122.9(2) . . ?
O66 Cd10 O23 140.8(4) . . ?
O66 Cd10 O67 106.4(4) . . ?
O23 Cd10 O67 76.2(3) . . ?
O66 Cd10 Cl8' 103.7(6) . . ?
O23 Cd10 Cl8' 110.9(6) . . ?
O67 Cd10 Cl8' 113.9(10) . . ?
O66 Cd10 O24 99.8(4) . . ?
O23 Cd10 O24 67.3(3) . . ?
O67 Cd10 O24 143.3(3) . . ?
Cl8' Cd10 O24 83.4(10) . . ?
O66 Cd10 Cl8 104.5(5) . . ?
O23 Cd10 Cl8 114.7(5) . . ?
O67 Cd10 Cl8 89.8(8) . . ?
Cl8' Cd10 Cl8 25.5(6) . . ?
O24 Cd10 Cl8 108.2(8) . . ?
O66 Cd10 O65 52.8(3) . . ?
O23 Cd10 O65 88.7(3) . . ?
O67 Cd10 O65 89.0(3) . . ?
Cl8' Cd10 O65 152.4(7) . . ?
O24 Cd10 O65 86.7(3) . . ?
Cl8 Cd10 O65 155.6(5) . . ?
O66 Cd10 C240 25.8(3) . . ?
O23 Cd10 C240 115.2(3) . . ?
O67 Cd10 C240 100.6(4) . . ?
Cl8' Cd10 C240 127.5(6) . . ?
O24 Cd10 C240 91.9(4) . . ?
Cl8 Cd10 C240 130.1(4) . . ?
O65 Cd10 C240 27.2(3) . . ?
O35 Cd11 O86 154.4(3) . . ?
O35 Cd11 O88 77.1(3) . . ?
O86 Cd11 O88 110.6(4) . . ?
O35 Cd11 O85 98.7(3) . . ?
O86 Cd11 O85 56.8(3) . . ?
O88 Cd11 O85 96.6(3) . . ?
O35 Cd11 Cl6 106.0(2) . . ?
O86 Cd11 Cl6 97.7(3) . . ?
O88 Cd11 Cl6 95.9(2) . . ?
O85 Cd11 Cl6 154.2(3) . . ?
O35 Cd11 O36 64.1(3) . . ?
O86 Cd11 O36 102.9(4) . . ?
O88 Cd11 O36 140.9(3) . . ?
O85 Cd11 O36 85.1(3) . . ?
Cl6 Cd11 O36 99.1(2) . . ?
O35 Cd11 C258 127.2(3) . . ?
O86 Cd11 C258 27.9(3) . . ?
O88 Cd11 C258 106.1(3) . . ?
O85 Cd11 C258 28.9(3) . . ?
Cl6 Cd11 C258 125.5(3) . . ?
O36 Cd11 C258 94.1(3) . . ?
O23 Cd12 O67 76.3(3) . . ?
O23 Cd12 N12 84.3(3) . . ?
O67 Cd12 N12 158.3(3) . . ?
O23 Cd12 O79 136.8(3) . . ?
O67 Cd12 O79 89.5(3) . . ?
N12 Cd12 O79 111.6(3) . . ?
O23 Cd12 O19 149.4(3) . . ?
O67 Cd12 O19 95.1(3) . . ?
N12 Cd12 O19 96.8(3) . . ?
O79 Cd12 O19 71.1(2) . . ?
O23 Cd12 O20 85.7(3) . . ?
O67 Cd12 O20 86.4(3) . . ?
N12 Cd12 O20 82.4(3) . . ?
O79 Cd12 O20 134.6(3) . . ?
O19 Cd12 O20 64.3(3) . . ?
O23 Cd12 Tb6 155.5(2) . . ?
O67 Cd12 Tb6 79.4(2) . . ?
N12 Cd12 Tb6 120.2(2) . . ?
O79 Cd12 Tb6 39.44(17) . . ?
O19 Cd12 Tb6 36.07(18) . . ?
O20 Cd12 Tb6 95.6(2) . . ?
N14 Cd13 O80 93.0(3) . . ?
N14 Cd13 O27 80.2(3) . . ?
O80 Cd13 O27 170.6(2) . . ?
N14 Cd13 O64 92.8(3) . . ?
O80 Cd13 O64 90.2(2) . . ?
O27 Cd13 O64 96.5(2) . . ?
N14 Cd13 O65 86.7(3) . . ?
O80 Cd13 O65 84.3(3) . . ?
O27 Cd13 O65 88.8(3) . . ?
O64 Cd13 O65 174.5(3) . . ?
N14 Cd13 Cl5 158.6(2) . . ?
O80 Cd13 Cl5 108.4(2) . . ?
O27 Cd13 Cl5 78.5(2) . . ?
O64 Cd13 Cl5 87.75(19) . . ?
O65 Cd13 Cl5 94.7(2) . . ?
N14 Cd13 Tb4 109.5(2) . . ?
O80 Cd13 Tb4 154.08(18) . . ?
O27 Cd13 Tb4 35.09(16) . . ?
O64 Cd13 Tb4 76.28(16) . . ?
O65 Cd13 Tb4 109.0(2) . . ?
Cl5 Cd13 Tb4 50.01(11) . . ?
O35 Cd14 N18 83.2(3) . . ?
O35 Cd14 O88 78.1(3) . . ?
N18 Cd14 O88 160.1(3) . . ?
O35 Cd14 O89 135.3(3) . . ?
N18 Cd14 O89 110.3(3) . . ?
O88 Cd14 O89 88.0(2) . . ?
O35 Cd14 O31 151.1(2) . . ?
N18 Cd14 O31 95.9(3) . . ?
O88 Cd14 O31 97.2(3) . . ?
O89 Cd14 O31 72.0(2) . . ?
O35 Cd14 O32 86.6(3) . . ?
N18 Cd14 O32 82.6(3) . . ?
O88 Cd14 O32 89.5(3) . . ?
O89 Cd14 O32 136.1(2) . . ?
O31 Cd14 O32 64.8(2) . . ?
O35 Cd14 Tb4 158.0(2) . . ?
N18 Cd14 Tb4 118.8(2) . . ?
O88 Cd14 Tb4 80.22(17) . . ?
O89 Cd14 Tb4 39.05(16) . . ?
O31 Cd14 Tb4 37.07(17) . . ?
O32 Cd14 Tb4 97.43(17) . . ?
O82 Cd15 N2 149.0(3) . . ?
O82 Cd15 O3 100.0(3) . . ?
N2 Cd15 O3 81.1(2) . . ?
O82 Cd15 O84 113.8(3) . . ?
N2 Cd15 O84 96.9(2) . . ?
O3 Cd15 O84 94.0(2) . . ?
O82 Cd15 O90 82.5(3) . . ?
N2 Cd15 O90 95.4(2) . . ?
O3 Cd15 O90 176.3(2) . . ?
O84 Cd15 O90 87.6(2) . . ?
O82 Cd15 O85 71.9(3) . . ?
N2 Cd15 O85 77.2(3) . . ?
O3 Cd15 O85 88.8(3) . . ?
O84 Cd15 O85 173.0(3) . . ?
O90 Cd15 O85 89.3(3) . . ?
N6 Cd16 O11 84.0(2) . . ?
N6 Cd16 O77 159.6(2) . . ?
O11 Cd16 O77 78.2(2) . . ?
N6 Cd16 O74 110.9(2) . . ?
O11 Cd16 O74 134.9(2) . . ?
O77 Cd16 O74 88.9(2) . . ?
N6 Cd16 O7 93.8(2) . . ?
O11 Cd16 O7 150.9(2) . . ?
O77 Cd16 O7 96.9(2) . . ?
O74 Cd16 O7 72.9(2) . . ?
N6 Cd16 O8 80.8(2) . . ?
O11 Cd16 O8 86.8(2) . . ?
O77 Cd16 O8 88.2(2) . . ?
O74 Cd16 O8 136.3(2) . . ?
O7 Cd16 O8 64.2(2) . . ?
N6 Cd16 O73 103.3(2) . . ?
O11 Cd16 O73 84.6(2) . . ?
O77 Cd16 O73 85.0(2) . . ?
O74 Cd16 O73 51.1(2) . . ?
O7 Cd16 O73 123.9(2) . . ?
O8 Cd16 O73 170.0(2) . . ?
N6 Cd16 Tb5 116.95(19) . . ?
O11 Cd16 Tb5 159.05(16) . . ?
O77 Cd16 Tb5 81.36(16) . . ?
O74 Cd16 Tb5 39.39(15) . . ?
O7 Cd16 Tb5 37.09(15) . . ?
O8 Cd16 Tb5 97.19(14) . . ?
O73 Cd16 Tb5 89.10(13) . . ?
O76 Cd17 O11 147.4(3) . . ?
O76 Cd17 O77 110.8(3) . . ?
O11 Cd17 O77 76.8(2) . . ?
O76 Cd17 O75 55.3(2) . . ?
O11 Cd17 O75 93.6(2) . . ?
O77 Cd17 O75 92.9(2) . . ?
O76 Cd17 Cl1 99.4(2) . . ?
O11 Cd17 Cl1 111.05(18) . . ?
O77 Cd17 Cl1 98.58(19) . . ?
O75 Cd17 Cl1 154.59(18) . . ?
O76 Cd17 O12 105.8(3) . . ?
O11 Cd17 O12 66.4(2) . . ?
O77 Cd17 O12 141.8(2) . . ?
O75 Cd17 O12 99.1(3) . . ?
Cl1 Cd17 O12 85.8(2) . . ?
O76 Cd17 C248 27.5(2) . . ?
O11 Cd17 C248 121.2(2) . . ?
O77 Cd17 C248 101.8(2) . . ?
O75 Cd17 C248 27.8(2) . . ?
Cl1 Cd17 C248 126.9(2) . . ?
O12 Cd17 C248 105.6(2) . . ?
O15 Cd18 O70 92.4(2) . . ?
O15 Cd18 N8 78.6(3) . . ?
O70 Cd18 N8 92.0(3) . . ?
O15 Cd18 O73 172.8(2) . . ?
O70 Cd18 O73 87.3(2) . . ?
N8 Cd18 O73 94.2(3) . . ?
O15 Cd18 O75 90.5(2) . . ?
O70 Cd18 O75 170.5(2) . . ?
N8 Cd18 O75 79.7(3) . . ?
O73 Cd18 O75 88.7(2) . . ?
O15 Cd18 O72 106.2(3) . . ?
O70 Cd18 O72 112.7(3) . . ?
N8 Cd18 O72 154.3(3) . . ?
O73 Cd18 O72 80.5(3) . . ?
O75 Cd18 O72 75.0(3) . . ?
O15 Cd18 O71 68.0(2) . . ?
O70 Cd18 O71 80.1(3) . . ?
N8 Cd18 O71 145.2(3) . . ?
O73 Cd18 O71 118.9(2) . . ?
O75 Cd18 O71 109.3(3) . . ?
O72 Cd18 O71 52.0(3) . . ?
O15 Cd18 Tb6 34.95(16) . . ?
O70 Cd18 Tb6 73.86(17) . . ?
N8 Cd18 Tb6 108.5(2) . . ?
O73 Cd18 Tb6 150.64(15) . . ?
O75 Cd18 Tb6 113.00(17) . . ?
O72 Cd18 Tb6 86.1(2) . . ?
O71 Cd18 Tb6 36.74(17) . . ?
Cd13 Cl5 Tb4 86.63(14) . . ?
Cd2 Cl7 Tb3 87.80(19) . . ?
C8 N1 C9 115.2(5) . . ?
C8 N1 Tb1 126.0(4) . . ?
C9 N1 Tb1 118.2(3) . . ?
C15 N2 C14 117.6(6) . . ?
C15 N2 Cd15 126.0(4) . . ?
C14 N2 Cd15 115.8(4) . . ?
C30 N3 C31 116.6(6) . . ?
C30 N3 Cd5 126.1(4) . . ?
C31 N3 Cd5 116.8(4) . . ?
C37 N4 C36 113.7(6) . . ?
C37 N4 Tb5 128.7(4) . . ?
C36 N4 Tb5 117.5(4) . . ?
C52 N5 C53 117.9(6) . . ?
C52 N5 Cd7 127.3(5) . . ?
C53 N5 Cd7 114.7(4) . . ?
C59 N6 C58 116.1(6) . . ?
C59 N6 Cd16 125.1(5) . . ?
C58 N6 Cd16 118.2(4) . . ?
C74 N7 C75 114.4(5) . . ?
C74 N7 Tb2 127.1(4) . . ?
C75 N7 Tb2 118.0(4) . . ?
C81 N8 C80 120.0(6) . . ?
C81 N8 Cd18 124.3(5) . . ?
C80 N8 Cd18 115.0(4) . . ?
C96 N9 C97 118.2(7) . . ?
C96 N9 Cd8 124.6(5) . . ?
C97 N9 Cd8 117.0(5) . . ?
C103 N10 C102 114.3(8) . . ?
C103 N10 Tb6 128.0(6) . . ?
C102 N10 Tb6 117.6(5) . . ?
C118 N11 C119 118.5(8) . . ?
C118 N11 Cd1 126.3(6) . . ?
C119 N11 Cd1 115.1(6) . . ?
C125 N12 C124 120.2(8) . . ?
C125 N12 Cd12 122.7(6) . . ?
C124 N12 Cd12 116.8(6) . . ?
C140 N13 C141 112.8(7) . . ?
C140 N13 Tb3 126.2(6) . . ?
C141 N13 Tb3 120.1(4) . . ?
C147 N14 C146 117.8(7) . . ?
C147 N14 Cd13 123.5(6) . . ?
C146 N14 Cd13 117.7(5) . . ?
C162 N15 C163 118.7(6) . . ?
C162 N15 Cd2 125.4(5) . . ?
C163 N15 Cd2 114.9(4) . . ?
C169 N16 C168 113.7(7) . . ?
C169 N16 Tb4 126.5(6) . . ?
C168 N16 Tb4 119.4(4) . . ?
C184 N17 C185 118.0(6) . . ?
C184 N17 Cd3 128.5(5) . . ?
C185 N17 Cd3 113.5(5) . . ?
C191 N18 C190 118.8(7) . . ?
C191 N18 Cd14 126.3(6) . . ?
C190 N18 Cd14 114.8(5) . . ?
C2 O1 C1 117.9(6) . . ?
C2 O1 Cd3 114.3(4) . . ?
C1 O1 Cd3 121.5(5) . . ?
C7 O2 Tb1 133.4(4) . . ?
C7 O2 Cd3 119.9(4) . . ?
Tb1 O2 Cd3 105.2(2) . . ?
C21 O3 Tb5 121.9(4) . . ?
C21 O3 Cd15 125.7(4) . . ?
Tb5 O3 Cd15 112.4(2) . . ?
C20 O4 C22 118.2(6) . . ?
C20 O4 Tb5 114.2(4) . . ?
C22 O4 Tb5 127.3(4) . . ?
C24 O5 C23 115.5(5) . . ?
C24 O5 Tb1 115.5(3) . . ?
C23 O5 Tb1 129.0(4) . . ?
C29 O6 Tb1 125.5(4) . . ?
C29 O6 Cd5 124.2(4) . . ?
Tb1 O6 Cd5 110.0(2) . . ?
C43 O7 Tb5 138.0(4) . . ?
C43 O7 Cd16 117.3(4) . . ?
Tb5 O7 Cd16 104.6(3) . . ?
C42 O8 C44 118.4(6) . . ?
C42 O8 Cd16 108.5(4) . . ?
C44 O8 Cd16 124.9(5) . . ?
C46 O9 C45 121.7(6) . . ?
C46 O9 Cd6 115.4(4) . . ?
C45 O9 Cd6 121.9(5) . . ?
C51 O10 Cd6 122.9(4) . . ?
C51 O10 Cd7 131.7(4) . . ?
Cd6 O10 Cd7 104.8(2) . . ?
C65 O11 Cd16 126.2(4) . . ?
C65 O11 Cd17 121.4(4) . . ?
Cd16 O11 Cd17 103.3(2) . . ?
C64 O12 C66 114.8(7) . . ?
C64 O12 Cd17 113.8(4) . . ?
C66 O12 Cd17 120.0(5) . . ?
C68 O13 C67 116.8(6) . . ?
C68 O13 Cd7 113.1(4) . . ?
C67 O13 Cd7 125.5(4) . . ?
C73 O14 Tb2 132.5(4) . . ?
C73 O14 Cd7 119.7(4) . . ?
Tb2 O14 Cd7 106.0(2) . . ?
C87 O15 Tb6 124.1(4) . . ?
C87 O15 Cd18 127.1(4) . . ?
Tb6 O15 Cd18 108.7(2) . . ?
C86 O16 C88 116.0(6) . . ?
C86 O16 Tb6 114.4(4) . . ?
C88 O16 Tb6 129.6(5) . . ?
C90 O17 C89 115.9(6) . . ?
C90 O17 Tb2 114.3(4) . . ?
C89 O17 Tb2 129.8(4) . . ?
C95 O18 Tb2 124.9(4) . . ?
C95 O18 Cd8 126.3(4) . . ?
Tb2 O18 Cd8 108.8(2) . . ?
C109 O19 Tb6 136.9(6) . . ?
C109 O19 Cd12 116.9(6) . . ?
Tb6 O19 Cd12 106.1(3) . . ?
C108 O20 C110 120.5(8) . . ?
C108 O20 Cd12 111.0(5) . . ?
C110 O20 Cd12 121.6(6) . . ?
C112 O21 C111 119.5(8) . . ?
C112 O21 Cd9 115.2(5) . . ?
C111 O21 Cd9 123.7(6) . . ?
C117 O22 Cd9 124.4(5) . . ?
C117 O22 Cd1 129.6(5) . . ?
Cd9 O22 Cd1 106.0(3) . . ?
C131 O23 Cd12 131.1(6) . . ?
C131 O23 Cd10 122.8(5) . . ?
Cd12 O23 Cd10 105.2(4) . . ?
C130 O24 C132 119.2(11) . . ?
C130 O24 Cd10 112.5(7) . . ?
C132 O24 Cd10 123.9(9) . . ?
C134 O25 C133 116.9(6) . . ?
C134 O25 Cd1 111.5(4) . . ?
C133 O25 Cd1 120.9(5) . . ?
C139 O26 Tb3 131.7(4) . . ?
C139 O26 Cd1 119.9(5) . . ?
Tb3 O26 Cd1 106.1(3) . . ?
C153 O27 Tb4 126.1(5) . . ?
C153 O27 Cd13 125.3(5) . . ?
Tb4 O27 Cd13 108.5(3) . . ?
C152 O28 C154 118.9(5) . . ?
C152 O28 Tb4 113.0(5) . . ?
C154 O28 Tb4 128.1(5) . . ?
C156 O29 C155 117.1(7) . . ?
C156 O29 Tb3 113.7(4) . . ?
C155 O29 Tb3 129.2(5) . . ?
C161 O30 Tb3 123.9(5) . . ?
C161 O30 Cd2 125.6(5) . . ?
Tb3 O30 Cd2 110.4(3) . . ?
C175 O31 Tb4 134.6(5) . . ?
C175 O31 Cd14 120.6(5) . . ?
Tb4 O31 Cd14 104.3(3) . . ?
C174 O32 C176 118.4(7) . . ?
C174 O32 Cd14 113.8(5) . . ?
C176 O32 Cd14 122.2(5) . . ?
C178 O33 C177 119.7(6) . . ?
C178 O33 Cd4 115.5(4) . . ?
C177 O33 Cd4 124.5(5) . . ?
C183 O34 Cd4 122.0(4) . . ?
C183 O34 Cd3 131.8(4) . . ?
Cd4 O34 Cd3 106.2(3) . . ?
C197 O35 Cd14 129.0(5) . . ?
C197 O35 Cd11 126.0(5) . . ?
Cd14 O35 Cd11 103.8(3) . . ?
C196 O36 C198 119.8(9) . . ?
C196 O36 Cd11 116.1(5) . . ?
C198 O36 Cd11 123.2(7) . . ?
C200 O37 Tb1 143.8(4) . . ?
C200 O38 Cd5 130.1(4) . . ?
C202 O39 Tb1 150.0(6) . . ?
C202 O39 Cd5 87.7(6) . . ?
Tb1 O39 Cd5 98.8(2) . . ?
C202 O40 Cd5 99.5(5) . . ?
C204 O41 Cd6 89.4(5) . . ?
C204 O41 Cd5 133.1(5) . . ?
Cd6 O41 Cd5 126.8(3) . . ?
C204 O42 Cd6 92.8(5) . . ?
C206 O43 Cd5 125.2(4) . . ?
C206 O44 Cd7 102.0(4) . . ?
C206 O44 Tb2 147.4(4) . . ?
Cd7 O44 Tb2 103.8(2) . . ?
C208 O45 Cd7 124.7(4) . . ?
C208 O45 Cd6 131.9(4) . . ?
Cd7 O45 Cd6 103.5(3) . . ?
C208 O46 Tb2 148.5(4) . . ?
C210 O47 Tb2 145.1(4) . . ?
C210 O48 Cd8 128.4(4) . . ?
C212 O49 Cd8 125.9(5) . . ?
C212 O50 Cd1 105.2(5) . . ?
C212 O50 Tb3 142.8(5) . . ?
Cd1 O50 Tb3 102.1(2) . . ?
C214 O51 Cd9 90.9(6) . . ?
C214 O51 Cd8 137.9(6) . . ?
Cd9 O51 Cd8 130.8(4) . . ?
C214 O52 Cd9 96.9(5) . . ?
C216 O53 Cd1 120.8(5) . . ?
C216 O53 Cd9 134.3(5) . . ?
Cd1 O53 Cd9 104.0(3) . . ?
C216 O54 Tb3 148.3(6) . . ?
C218 O55 Tb3 145.0(4) . . ?
C218 O56 Cd2 128.5(4) . . ?
C220 O57 Cd2 125.9(4) . . ?
C220 O58 Cd3 105.4(4) . . ?
C220 O58 Tb1 145.3(4) . . ?
Cd3 O58 Tb1 104.6(2) . . ?
C222 O59 Cd2 132.6(5) . . ?
C222 O59 Cd4 85.3(5) . . ?
Cd2 O59 Cd4 140.6(3) . . ?
C222 O60 Cd4 99.0(5) . . ?
C224 O61 Cd3 125.9(4) . . ?
C224 O61 Cd4 130.4(4) . . ?
Cd3 O61 Cd4 103.4(3) . . ?
C224 O62 Tb1 145.4(4) . . ?
C236 O63 Tb4 147.2(4) . . ?
C236 O64 Cd13 124.7(4) . . ?
C240 O65 Cd13 137.5(7) . . ?
C240 O65 Cd10 83.6(7) . . ?
Cd13 O65 Cd10 138.6(4) . . ?
C240 O66 Cd10 104.1(7) . . ?
C246 O67 Cd10 133.8(5) . . ?
C246 O67 Cd12 123.7(5) . . ?
Cd10 O67 Cd12 102.2(3) . . ?
C246 O68 Tb6 148.3(6) . . ?
C242 O69 Tb6 143.5(5) . . ?
C242 O70 Cd18 128.3(4) . . ?
C244 O71 Tb6 149.4(6) . . ?
C244 O71 Cd18 91.7(6) . . ?
Tb6 O71 Cd18 102.2(3) . . ?
C244 O72 Cd18 91.6(6) . . ?
C250 O73 Cd18 124.3(4) . . ?
C250 O73 Cd16 86.2(4) . . ?
Cd18 O73 Cd16 138.8(3) . . ?
C250 O74 Cd16 104.0(4) . . ?
C250 O74 Tb5 147.4(4) . . ?
Cd16 O74 Tb5 102.9(2) . . ?
C248 O75 Cd18 132.3(5) . . ?
C248 O75 Cd17 89.3(5) . . ?
Cd18 O75 Cd17 134.9(3) . . ?
C248 O76 Cd17 98.2(5) . . ?
C252 O77 Cd16 121.6(5) . . ?
C252 O77 Cd17 136.2(5) . . ?
Cd16 O77 Cd17 101.7(2) . . ?
C252 O78 Tb5 144.9(5) . . ?
C238 O79 Cd12 105.1(5) . . ?
C238 O79 Tb6 148.7(5) . . ?
Cd12 O79 Tb6 102.3(3) . . ?
C238 O80 Cd13 129.5(5) . . ?
C256 O81 Tb5 148.6(6) . . ?
C256 O82 Cd15 105.7(6) . . ?
C254 O83 Tb5 143.7(4) . . ?
C254 O84 Cd15 130.1(4) . . ?
C258 O85 Cd11 89.3(7) . . ?
C258 O85 Cd15 135.3(7) . . ?
Cd11 O85 Cd15 130.0(4) . . ?
C258 O86 Cd11 92.1(8) . . ?
C260 O87 Tb4 145.8(5) . . ?
C260 O88 Cd14 123.0(5) . . ?
C260 O88 Cd11 135.8(5) . . ?
Cd14 O88 Cd11 100.9(3) . . ?
C262 O89 Cd14 103.1(4) . . ?
C262 O89 Tb4 147.9(4) . . ?
Cd14 O89 Tb4 102.7(2) . . ?
C262 O90 Cd15 125.3(5) . . ?
C264 O91 Cd8 84.8(5) . . ?
C264 O91 Tb2 148.3(9) . . ?
Cd8 O91 Tb2 91.1(3) . . ?
C264 O92 Cd8 109.2(5) . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C3 C2 O1 126.1(8) . . ?
C3 C2 C7 120.7(9) . . ?
O1 C2 C7 113.1(7) . . ?
C2 C3 C4 121.7(10) . . ?
C2 C3 H3A 119.2 . . ?
C4 C3 H3A 119.2 . . ?
C3 C4 C5 119.6(9) . . ?
C3 C4 H4A 120.2 . . ?
C5 C4 H4A 120.2 . . ?
C4 C5 C6 120.0(9) . . ?
C4 C5 H5A 120.0 . . ?
C6 C5 H5A 120.0 . . ?
C7 C6 C5 120.5(9) . . ?
C7 C6 C8 123.8(9) . . ?
C5 C6 C8 115.7(9) . . ?
O2 C7 C6 123.1(8) . . ?
O2 C7 C2 119.6(7) . . ?
C6 C7 C2 117.2(8) . . ?
N1 C8 C6 127.8(8) . . ?
N1 C8 H8A 116.1 . . ?
C6 C8 H8A 116.1 . . ?
N1 C9 C10 113.0(6) . . ?
N1 C9 H9A 109.0 . . ?
C10 C9 H9A 109.0 . . ?
N1 C9 H9B 109.0 . . ?
C10 C9 H9B 109.0 . . ?
H9A C9 H9B 107.8 . . ?
C11 C10 C9 111.2(7) . . ?
C11 C10 H10A 109.4 . . ?
C9 C10 H10A 109.4 . . ?
C11 C10 H10B 109.4 . . ?
C9 C10 H10B 109.4 . . ?
H10A C10 H10B 108.0 . . ?
C12 C11 C10 113.9(7) . . ?
C12 C11 H11A 108.8 . . ?
C10 C11 H11A 108.8 . . ?
C12 C11 H11B 108.8 . . ?
C10 C11 H11B 108.8 . . ?
H11A C11 H11B 107.7 . . ?
C13 C12 C11 114.1(7) . . ?
C13 C12 H12A 108.7 . . ?
C11 C12 H12A 108.7 . . ?
C13 C12 H12B 108.7 . . ?
C11 C12 H12B 108.7 . . ?
H12A C12 H12B 107.6 . . ?
C14 C13 C12 112.0(7) . . ?
C14 C13 H13A 109.2 . . ?
C12 C13 H13A 109.2 . . ?
C14 C13 H13B 109.2 . . ?
C12 C13 H13B 109.2 . . ?
H13A C13 H13B 107.9 . . ?
N2 C14 C13 112.6(6) . . ?
N2 C14 H14A 109.1 . . ?
C13 C14 H14A 109.1 . . ?
N2 C14 H14B 109.1 . . ?
C13 C14 H14B 109.1 . . ?
H14A C14 H14B 107.8 . . ?
N2 C15 C16 127.4(8) . . ?
N2 C15 H15A 116.3 . . ?
C16 C15 H15A 116.3 . . ?
C21 C16 C15 127.4(8) . . ?
C21 C16 C17 117.2(8) . . ?
C15 C16 C17 115.4(8) . . ?
C18 C17 C16 119.9(10) . . ?
C18 C17 H17A 120.0 . . ?
C16 C17 H17A 120.0 . . ?
C19 C18 C17 121.5(10) . . ?
C19 C18 H18A 119.2 . . ?
C17 C18 H18A 119.2 . . ?
C20 C19 C18 120.1(10) . . ?
C20 C19 H19A 120.0 . . ?
C18 C19 H19A 120.0 . . ?
C19 C20 C21 121.3(9) . . ?
C19 C20 O4 124.6(9) . . ?
C21 C20 O4 114.1(8) . . ?
O3 C21 C20 117.5(8) . . ?
O3 C21 C16 122.6(8) . . ?
C20 C21 C16 119.9(9) . . ?
O4 C22 H22A 109.5 . . ?
O4 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
O4 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O5 C23 H23A 109.5 . . ?
O5 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
O5 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C25 C24 O5 124.7(7) . . ?
C25 C24 C29 122.1(8) . . ?
O5 C24 C29 113.2(7) . . ?
C24 C25 C26 118.0(9) . . ?
C24 C25 H25A 121.0 . . ?
C26 C25 H25A 121.0 . . ?
C27 C26 C25 119.8(9) . . ?
C27 C26 H26A 120.1 . . ?
C25 C26 H26A 120.1 . . ?
C26 C27 C28 122.8(9) . . ?
C26 C27 H27A 118.6 . . ?
C28 C27 H27A 118.6 . . ?
C29 C28 C27 117.2(8) . . ?
C29 C28 C30 127.2(8) . . ?
C27 C28 C30 115.3(8) . . ?
O6 C29 C28 123.5(7) . . ?
O6 C29 C24 116.4(7) . . ?
C28 C29 C24 120.0(8) . . ?
N3 C30 C28 127.2(8) . . ?
N3 C30 H30A 116.4 . . ?
C28 C30 H30A 116.4 . . ?
N3 C31 C32 111.9(7) . . ?
N3 C31 H31A 109.2 . . ?
C32 C31 H31A 109.2 . . ?
N3 C31 H31B 109.2 . . ?
C32 C31 H31B 109.2 . . ?
H31A C31 H31B 107.9 . . ?
C33 C32 C31 113.9(7) . . ?
C33 C32 H32A 108.8 . . ?
C31 C32 H32A 108.8 . . ?
C33 C32 H32B 108.8 . . ?
C31 C32 H32B 108.8 . . ?
H32A C32 H32B 107.7 . . ?
C32 C33 C34 114.1(8) . . ?
C32 C33 H33A 108.7 . . ?
C34 C33 H33A 108.7 . . ?
C32 C33 H33B 108.7 . . ?
C34 C33 H33B 108.7 . . ?
H33A C33 H33B 107.6 . . ?
C33 C34 C35 113.7(8) . . ?
C33 C34 H34A 108.8 . . ?
C35 C34 H34A 108.8 . . ?
C33 C34 H34B 108.8 . . ?
C35 C34 H34B 108.8 . . ?
H34A C34 H34B 107.7 . . ?
C36 C35 C34 113.0(8) . . ?
C36 C35 H35A 109.0 . . ?
C34 C35 H35A 109.0 . . ?
C36 C35 H35B 109.0 . . ?
C34 C35 H35B 109.0 . . ?
H35A C35 H35B 107.8 . . ?
C35 C36 N4 112.5(7) . . ?
C35 C36 H36A 109.1 . . ?
N4 C36 H36A 109.1 . . ?
C35 C36 H36B 109.1 . . ?
N4 C36 H36B 109.1 . . ?
H36A C36 H36B 107.8 . . ?
N4 C37 C38 128.6(9) . . ?
N4 C37 H37A 115.7 . . ?
C38 C37 H37A 115.7 . . ?
C43 C38 C39 118.2(10) . . ?
C43 C38 C37 124.0(9) . . ?
C39 C38 C37 117.7(9) . . ?
C40 C39 C38 121.2(11) . . ?
C40 C39 H39A 119.4 . . ?
C38 C39 H39A 119.4 . . ?
C39 C40 C41 119.7(11) . . ?
C39 C40 H40A 120.1 . . ?
C41 C40 H40A 120.1 . . ?
C42 C41 C40 119.4(10) . . ?
C42 C41 H41A 120.3 . . ?
C40 C41 H41A 120.3 . . ?
C41 C42 O8 123.1(8) . . ?
C41 C42 C43 122.1(9) . . ?
O8 C42 C43 114.8(8) . . ?
O7 C43 C38 122.0(8) . . ?
O7 C43 C42 118.9(8) . . ?
C38 C43 C42 119.1(9) . . ?
O8 C44 H44A 109.5 . . ?
O8 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
O8 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
O9 C45 H45A 109.5 . . ?
O9 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
O9 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
O9 C46 C47 123.7(8) . . ?
O9 C46 C51 113.3(8) . . ?
C47 C46 C51 123.0(9) . . ?
C48 C47 C46 119.4(10) . . ?
C48 C47 H47A 120.3 . . ?
C46 C47 H47A 120.3 . . ?
C47 C48 C49 122.0(11) . . ?
C47 C48 H48A 119.0 . . ?
C49 C48 H48A 119.0 . . ?
C48 C49 C50 120.0(11) . . ?
C48 C49 H49A 120.0 . . ?
C50 C49 H49A 120.0 . . ?
C49 C50 C52 115.7(10) . . ?
C49 C50 C51 118.9(9) . . ?
C52 C50 C51 125.3(9) . . ?
O10 C51 C46 119.4(8) . . ?
O10 C51 C50 124.1(8) . . ?
C46 C51 C50 116.5(8) . . ?
N5 C52 C50 129.4(9) . . ?
N5 C52 H52A 115.3 . . ?
C50 C52 H52A 115.3 . . ?
N5 C53 C54 108.1(7) . . ?
N5 C53 H53A 110.1 . . ?
C54 C53 H53A 110.1 . . ?
N5 C53 H53B 110.1 . . ?
C54 C53 H53B 110.1 . . ?
H53A C53 H53B 108.4 . . ?
C53 C54 C55 111.7(7) . . ?
C53 C54 H54A 109.3 . . ?
C55 C54 H54A 109.3 . . ?
C53 C54 H54B 109.3 . . ?
C55 C54 H54B 109.3 . . ?
H54A C54 H54B 107.9 . . ?
C54 C55 C56 110.0(8) . . ?
C54 C55 H55A 109.7 . . ?
C56 C55 H55A 109.7 . . ?
C54 C55 H55B 109.7 . . ?
C56 C55 H55B 109.7 . . ?
H55A C55 H55B 108.2 . . ?
C57 C56 C55 114.4(9) . . ?
C57 C56 H56A 108.7 . . ?
C55 C56 H56A 108.7 . . ?
C57 C56 H56B 108.7 . . ?
C55 C56 H56B 108.7 . . ?
H56A C56 H56B 107.6 . . ?
C58 C57 C56 114.2(8) . . ?
C58 C57 H57A 108.7 . . ?
C56 C57 H57A 108.7 . . ?
C58 C57 H57B 108.7 . . ?
C56 C57 H57B 108.7 . . ?
H57A C57 H57B 107.6 . . ?
C57 C58 N6 110.1(7) . . ?
C57 C58 H58A 109.6 . . ?
N6 C58 H58A 109.6 . . ?
C57 C58 H58B 109.6 . . ?
N6 C58 H58B 109.6 . . ?
H58A C58 H58B 108.1 . . ?
N6 C59 C60 128.7(9) . . ?
N6 C59 H59A 115.6 . . ?
C60 C59 H59A 115.6 . . ?
C61 C60 C65 119.7(9) . . ?
C61 C60 C59 114.7(9) . . ?
C65 C60 C59 125.5(9) . . ?
C62 C61 C60 120.9(11) . . ?
C62 C61 H61A 119.5 . . ?
C60 C61 H61A 119.5 . . ?
C61 C62 C63 122.1(11) . . ?
C61 C62 H62A 119.0 . . ?
C63 C62 H62A 119.0 . . ?
C62 C63 C64 119.1(11) . . ?
C62 C63 H63A 120.4 . . ?
C64 C63 H63A 120.4 . . ?
O12 C64 C63 125.9(9) . . ?
O12 C64 C65 113.0(8) . . ?
C63 C64 C65 121.0(10) . . ?
O11 C65 C60 125.2(8) . . ?
O11 C65 C64 118.1(8) . . ?
C60 C65 C64 116.7(9) . . ?
O12 C66 H66A 109.5 . . ?
O12 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
O12 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
O13 C67 H67A 109.5 . . ?
O13 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
O13 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C69 C68 O13 125.8(8) . . ?
C69 C68 C73 121.0(9) . . ?
O13 C68 C73 113.2(7) . . ?
C68 C69 C70 120.5(9) . . ?
C68 C69 H69A 119.8 . . ?
C70 C69 H69A 119.8 . . ?
C71 C70 C69 120.2(9) . . ?
C71 C70 H70A 119.9 . . ?
C69 C70 H70A 119.9 . . ?
C70 C71 C72 121.6(9) . . ?
C70 C71 H71A 119.2 . . ?
C72 C71 H71A 119.2 . . ?
C73 C72 C71 118.8(8) . . ?
C73 C72 C74 122.4(8) . . ?
C71 C72 C74 118.8(8) . . ?
O14 C73 C72 123.0(8) . . ?
O14 C73 C68 119.1(7) . . ?
C72 C73 C68 117.8(8) . . ?
N7 C74 C72 128.6(7) . . ?
N7 C74 H74A 115.7 . . ?
C72 C74 H74A 115.7 . . ?
N7 C75 C76 113.6(7) . . ?
N7 C75 H75A 108.8 . . ?
C76 C75 H75A 108.8 . . ?
N7 C75 H75B 108.8 . . ?
C76 C75 H75B 108.8 . . ?
H75A C75 H75B 107.7 . . ?
C75 C76 C77 112.9(8) . . ?
C75 C76 H76A 109.0 . . ?
C77 C76 H76A 109.0 . . ?
C75 C76 H76B 109.0 . . ?
C77 C76 H76B 109.0 . . ?
H76A C76 H76B 107.8 . . ?
C76 C77 C78 113.7(8) . . ?
C76 C77 H77A 108.8 . . ?
C78 C77 H77A 108.8 . . ?
C76 C77 H77B 108.8 . . ?
C78 C77 H77B 108.8 . . ?
H77A C77 H77B 107.7 . . ?
C79 C78 C77 112.7(8) . . ?
C79 C78 H78A 109.0 . . ?
C77 C78 H78A 109.0 . . ?
C79 C78 H78B 109.0 . . ?
C77 C78 H78B 109.0 . . ?
H78A C78 H78B 107.8 . . ?
C80 C79 C78 109.2(8) . . ?
C80 C79 H79A 109.8 . . ?
C78 C79 H79A 109.8 . . ?
C80 C79 H79B 109.8 . . ?
C78 C79 H79B 109.8 . . ?
H79A C79 H79B 108.3 . . ?
N8 C80 C79 111.4(7) . . ?
N8 C80 H80A 109.3 . . ?
C79 C80 H80A 109.3 . . ?
N8 C80 H80B 109.3 . . ?
C79 C80 H80B 109.3 . . ?
H80A C80 H80B 108.0 . . ?
N8 C81 C82 129.6(9) . . ?
N8 C81 H81A 115.2 . . ?
C82 C81 H81A 115.2 . . ?
C87 C82 C83 118.1(9) . . ?
C87 C82 C81 125.7(9) . . ?
C83 C82 C81 115.8(9) . . ?
C84 C83 C82 121.0(10) . . ?
C84 C83 H83A 119.5 . . ?
C82 C83 H83A 119.5 . . ?
C83 C84 C85 121.8(10) . . ?
C83 C84 H84A 119.1 . . ?
C85 C84 H84A 119.1 . . ?
C86 C85 C84 116.9(10) . . ?
C86 C85 H85A 121.6 . . ?
C84 C85 H85A 121.6 . . ?
O16 C86 C85 124.0(9) . . ?
O16 C86 C87 113.0(8) . . ?
C85 C86 C87 122.9(10) . . ?
O15 C87 C82 123.4(8) . . ?
O15 C87 C86 117.5(8) . . ?
C82 C87 C86 119.2(9) . . ?
O16 C88 H88A 109.5 . . ?
O16 C88 H88B 109.5 . . ?
H88A C88 H88B 109.5 . . ?
O16 C88 H88C 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
O17 C89 H89A 109.5 . . ?
O17 C89 H89B 109.5 . . ?
H89A C89 H89B 109.5 . . ?
O17 C89 H89C 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
O17 C90 C91 123.4(9) . . ?
O17 C90 C95 113.2(7) . . ?
C91 C90 C95 123.3(9) . . ?
C90 C91 C92 117.8(9) . . ?
C90 C91 H91A 121.1 . . ?
C92 C91 H91A 121.1 . . ?
C93 C92 C91 119.1(10) . . ?
C93 C92 H92A 120.5 . . ?
C91 C92 H92A 120.5 . . ?
C92 C93 C94 123.5(10) . . ?
C92 C93 H93A 118.3 . . ?
C94 C93 H93A 118.3 . . ?
C95 C94 C93 117.5(9) . . ?
C95 C94 C96 126.2(9) . . ?
C93 C94 C96 116.3(9) . . ?
O18 C95 C94 123.8(8) . . ?
O18 C95 C90 117.4(8) . . ?
C94 C95 C90 118.8(8) . . ?
N9 C96 C94 129.4(9) . . ?
N9 C96 H96A 115.3 . . ?
C94 C96 H96A 115.3 . . ?
N9 C97 C98 111.8(8) . . ?
N9 C97 H97A 109.3 . . ?
C98 C97 H97A 109.3 . . ?
N9 C97 H97B 109.3 . . ?
C98 C97 H97B 109.3 . . ?
H97A C97 H97B 107.9 . . ?
C97 C98 C99 109.6(9) . . ?
C97 C98 H98A 109.8 . . ?
C99 C98 H98A 109.8 . . ?
C97 C98 H98B 109.8 . . ?
C99 C98 H98B 109.8 . . ?
H98A C98 H98B 108.2 . . ?
C98 C99 C100 111.5(9) . . ?
C98 C99 H99A 109.3 . . ?
C100 C99 H99A 109.3 . . ?
C98 C99 H99B 109.3 . . ?
C100 C99 H99B 109.3 . . ?
H99A C99 H99B 108.0 . . ?
C101 C100 C99 109.3(9) . . ?
C101 C100 H10C 109.8 . . ?
C99 C100 H10C 109.8 . . ?
C101 C100 H10D 109.8 . . ?
C99 C100 H10D 109.8 . . ?
H10C C100 H10D 108.3 . . ?
C100 C101 C102 109.4(9) . . ?
C100 C101 H10E 109.8 . . ?
C102 C101 H10E 109.8 . . ?
C100 C101 H10F 109.8 . . ?
C102 C101 H10F 109.8 . . ?
H10E C101 H10F 108.2 . . ?
N10 C102 C101 109.1(8) . . ?
N10 C102 H10G 109.9 . . ?
C101 C102 H10G 109.9 . . ?
N10 C102 H10H 109.9 . . ?
C101 C102 H10H 109.9 . . ?
H10G C102 H10H 108.3 . . ?
N10 C103 C104 128.3(12) . . ?
N10 C103 H10I 115.8 . . ?
C104 C103 H10I 115.8 . . ?
C109 C104 C105 119.7(13) . . ?
C109 C104 C103 123.5(12) . . ?
C105 C104 C103 116.8(13) . . ?
C106 C105 C104 117.5(16) . . ?
C106 C105 H10J 121.2 . . ?
C104 C105 H10J 121.2 . . ?
C105 C106 C107 121.3(18) . . ?
C105 C106 H10K 119.4 . . ?
C107 C106 H10K 119.4 . . ?
C108 C107 C106 120.4(17) . . ?
C108 C107 H10L 119.8 . . ?
C106 C107 H10L 119.8 . . ?
C107 C108 O20 124.0(13) . . ?
C107 C108 C109 122.9(14) . . ?
O20 C108 C109 113.1(10) . . ?
O19 C109 C104 122.6(11) . . ?
O19 C109 C108 119.6(11) . . ?
C104 C109 C108 117.8(12) . . ?
O20 C110 H11C 109.5 . . ?
O20 C110 H11D 109.5 . . ?
H11C C110 H11D 109.5 . . ?
O20 C110 H11E 109.5 . . ?
H11C C110 H11E 109.5 . . ?
H11D C110 H11E 109.5 . . ?
O21 C111 H11F 109.5 . . ?
O21 C111 H11G 109.5 . . ?
H11F C111 H11G 109.5 . . ?
O21 C111 H11H 109.5 . . ?
H11F C111 H11H 109.5 . . ?
H11G C111 H11H 109.5 . . ?
C113 C112 O21 124.9(11) . . ?
C113 C112 C117 118.8(12) . . ?
O21 C112 C117 116.3(9) . . ?
C112 C113 C114 121.7(14) . . ?
C112 C113 H11I 119.1 . . ?
C114 C113 H11I 119.1 . . ?
C115 C114 C113 117.1(15) . . ?
C115 C114 H11J 121.5 . . ?
C113 C114 H11J 121.5 . . ?
C114 C115 C116 125.3(15) . . ?
C114 C115 H11K 117.3 . . ?
C116 C115 H11K 117.3 . . ?
C117 C116 C115 116.1(11) . . ?
C117 C116 C118 127.2(11) . . ?
C115 C116 C118 116.3(12) . . ?
O22 C117 C116 124.1(9) . . ?
O22 C117 C112 114.9(10) . . ?
C116 C117 C112 120.9(11) . . ?
N11 C118 C116 129.5(11) . . ?
N11 C118 H11L 115.3 . . ?
C116 C118 H11L 115.3 . . ?
C120 C119 N11 110.9(11) . . ?
C120 C119 H11M 109.5 . . ?
N11 C119 H11M 109.5 . . ?
C120 C119 H11N 109.5 . . ?
N11 C119 H11N 109.5 . . ?
H11M C119 H11N 108.0 . . ?
C119 C120 C121 110.6(13) . . ?
C119 C120 C268 144.7(19) . . ?
C121 C120 C268 40.6(14) . . ?
C119 C120 H12C 109.5 . . ?
C121 C120 H12C 109.5 . . ?
C268 C120 H12C 75.1 . . ?
C119 C120 H12D 109.5 . . ?
C121 C120 H12D 109.5 . . ?
C268 C120 H12D 101.5 . . ?
H12C C120 H12D 108.1 . . ?
C122 C121 C120 108.3(14) . . ?
C122 C121 H12E 110.0 . . ?
C120 C121 H12E 110.0 . . ?
C122 C121 H12F 110.0 . . ?
C120 C121 H12F 110.0 . . ?
H12E C121 H12F 108.4 . . ?
C121 C122 C123 108.6(15) . . ?
C121 C122 H12G 110.0 . . ?
C123 C122 H12G 110.0 . . ?
C121 C122 H12H 110.0 . . ?
C123 C122 H12H 110.0 . . ?
H12G C122 H12H 108.3 . . ?
C269 C268 C120 101(3) . . ?
C269 C268 H26W 111.5 . . ?
C120 C268 H26W 111.5 . . ?
C269 C268 H26J 111.5 . . ?
C120 C268 H26J 111.5 . . ?
H26W C268 H26J 109.3 . . ?
C268 C269 C123 99(3) . . ?
C268 C269 H26H 111.9 . . ?
C123 C269 H26H 111.9 . . ?
C268 C269 H26I 111.9 . . ?
C123 C269 H26I 111.9 . . ?
H26H C269 H26I 109.6 . . ?
C150 C149 C148 119(2) . . ?
C150 C149 H14Q 120.6 . . ?
C148 C149 H14Q 120.6 . . ?
C149 C150 C151 121(2) . . ?
C149 C150 H15B 119.7 . . ?
C151 C150 H15B 119.7 . . ?
C152 C151 C150 119.5(19) . . ?
C152 C151 H15D 120.2 . . ?
C150 C151 H15D 120.2 . . ?
C266 C265 C148 123(3) . . ?
C266 C265 H26X 118.4 . . ?
C148 C265 H26X 118.4 . . ?
C267 C266 C265 121(3) . . ?
C267 C266 H26Y 119.6 . . ?
C265 C266 H26Y 119.6 . . ?
C266 C267 C152 112(2) . . ?
C266 C267 H26Z 124.0 . . ?
C152 C267 H26Z 124.0 . . ?
C124 C123 C122 124.5(14) . . ?
C124 C123 C269 91.9(18) . . ?
C122 C123 C269 37.4(13) . . ?
C124 C123 H12I 117.7 . . ?
C122 C123 H12I 117.7 . . ?
C269 C123 H12I 144.9 . . ?
N12 C124 C123 110.8(11) . . ?
N12 C124 H12J 109.5 . . ?
C123 C124 H12J 109.5 . . ?
N12 C124 H12K 109.5 . . ?
C123 C124 H12K 109.5 . . ?
H12J C124 H12K 108.1 . . ?
N12 C125 C126 128.0(11) . . ?
N12 C125 H12L 116.0 . . ?
C126 C125 H12L 116.0 . . ?
C131 C126 C125 130.2(12) . . ?
C131 C126 C127 121.1(14) . . ?
C125 C126 C127 108.6(14) . . ?
C128 C127 C126 116(2) . . ?
C128 C127 H12M 122.0 . . ?
C126 C127 H12M 122.0 . . ?
C127 C128 C129 118(3) . . ?
C127 C128 H12O 120.8 . . ?
C129 C128 H12O 120.8 . . ?
C130 C129 C128 121(3) . . ?
C130 C129 H12Q 119.7 . . ?
C128 C129 H12Q 119.7 . . ?
C129 C130 O24 122(2) . . ?
C129 C130 C131 117(2) . . ?
O24 C130 C131 118.6(13) . . ?
O23 C131 C126 123.1(10) . . ?
O23 C131 C130 114.5(11) . . ?
C126 C131 C130 122.5(12) . . ?
O24 C132 H13C 109.5 . . ?
O24 C132 H13D 109.5 . . ?
H13C C132 H13D 109.5 . . ?
O24 C132 H13E 109.5 . . ?
H13C C132 H13E 109.5 . . ?
H13D C132 H13E 109.5 . . ?
O25 C133 H13F 109.5 . . ?
O25 C133 H13G 109.5 . . ?
H13F C133 H13G 109.5 . . ?
O25 C133 H13H 109.5 . . ?
H13F C133 H13H 109.5 . . ?
H13G C133 H13H 109.5 . . ?
O25 C134 C135 123.5(9) . . ?
O25 C134 C139 117.0(9) . . ?
C135 C134 C139 119.3(11) . . ?
C136 C135 C134 119.1(11) . . ?
C136 C135 H13I 120.4 . . ?
C134 C135 H13I 120.4 . . ?
C137 C136 C135 120.4(13) . . ?
C137 C136 H13J 119.8 . . ?
C135 C136 H13J 119.8 . . ?
C136 C137 C138 121.8(13) . . ?
C136 C137 H13K 119.1 . . ?
C138 C137 H13K 119.1 . . ?
C139 C138 C137 120.0(11) . . ?
C139 C138 C140 124.6(10) . . ?
C137 C138 C140 115.4(11) . . ?
C138 C139 O26 123.0(9) . . ?
C138 C139 C134 119.3(10) . . ?
O26 C139 C134 117.5(9) . . ?
N13 C140 C138 125.3(10) . . ?
N13 C140 H14C 117.4 . . ?
C138 C140 H14C 117.4 . . ?
N13 C141 C142 112.6(8) . . ?
N13 C141 H14D 109.1 . . ?
C142 C141 H14D 109.1 . . ?
N13 C141 H14E 109.1 . . ?
C142 C141 H14E 109.1 . . ?
H14D C141 H14E 107.8 . . ?
C141 C142 C143 111.9(8) . . ?
C141 C142 H14F 109.2 . . ?
C143 C142 H14F 109.2 . . ?
C141 C142 H14G 109.2 . . ?
C143 C142 H14G 109.2 . . ?
H14F C142 H14G 107.9 . . ?
C144 C143 C142 113.0(8) . . ?
C144 C143 H14H 109.0 . . ?
C142 C143 H14H 109.0 . . ?
C144 C143 H14I 109.0 . . ?
C142 C143 H14I 109.0 . . ?
H14H C143 H14I 107.8 . . ?
C145 C144 C143 114.9(9) . . ?
C145 C144 H14J 108.5 . . ?
C143 C144 H14J 108.5 . . ?
C145 C144 H14K 108.5 . . ?
C143 C144 H14K 108.5 . . ?
H14J C144 H14K 107.5 . . ?
C146 C145 C144 113.0(9) . . ?
C146 C145 H14L 109.0 . . ?
C144 C145 H14L 109.0 . . ?
C146 C145 H14M 109.0 . . ?
C144 C145 H14M 109.0 . . ?
H14L C145 H14M 107.8 . . ?
N14 C146 C145 113.4(8) . . ?
N14 C146 H14N 108.9 . . ?
C145 C146 H14N 108.9 . . ?
N14 C146 H14O 108.9 . . ?
C145 C146 H14O 108.9 . . ?
H14N C146 H14O 107.7 . . ?
N14 C147 C148 130.0(12) . . ?
N14 C147 H14P 115.0 . . ?
C148 C147 H14P 115.0 . . ?
C153 C148 C149 118.6(13) . . ?
C153 C148 C147 124.9(11) . . ?
C149 C148 C147 113.4(15) . . ?
C153 C148 C265 116.0(17) . . ?
C149 C148 C265 43.3(14) . . ?
C147 C148 C265 113.5(18) . . ?
C151 C152 O28 124.2(13) . . ?
C151 C152 C153 118.1(14) . . ?
O28 C152 C153 114.0(8) . . ?
C151 C152 C267 45.0(12) . . ?
O28 C152 C267 114.7(14) . . ?
C153 C152 C267 123.7(14) . . ?
O27 C153 C152 116.5(8) . . ?
O27 C153 C148 124.9(9) . . ?
C152 C153 C148 118.6(8) . . ?
O28 C154 H15F 109.5 . . ?
O28 C154 H15G 109.5 . . ?
H15F C154 H15G 109.5 . . ?
O28 C154 H15H 109.5 . . ?
H15F C154 H15H 109.5 . . ?
H15G C154 H15H 109.5 . . ?
O29 C155 H15I 109.5 . . ?
O29 C155 H15J 109.5 . . ?
H15I C155 H15J 109.5 . . ?
O29 C155 H15K 109.5 . . ?
H15I C155 H15K 109.5 . . ?
H15J C155 H15K 109.5 . . ?
C157 C156 O29 123.2(10) . . ?
C157 C156 C161 123.3(11) . . ?
O29 C156 C161 113.5(9) . . ?
C156 C157 C158 118.0(12) . . ?
C156 C157 H15L 121.0 . . ?
C158 C157 H15L 121.0 . . ?
C159 C158 C157 120.0(12) . . ?
C159 C158 H15M 120.0 . . ?
C157 C158 H15M 120.0 . . ?
C158 C159 C160 121.5(11) . . ?
C158 C159 H15N 119.2 . . ?
C160 C159 H15N 119.2 . . ?
C161 C160 C159 117.7(10) . . ?
C161 C160 C162 124.1(9) . . ?
C159 C160 C162 118.2(10) . . ?
O30 C161 C160 123.8(9) . . ?
O30 C161 C156 116.8(9) . . ?
C160 C161 C156 119.4(10) . . ?
N15 C162 C160 130.7(9) . . ?
N15 C162 H16A 114.7 . . ?
C160 C162 H16A 114.7 . . ?
N15 C163 C164 109.6(7) . . ?
N15 C163 H16B 109.8 . . ?
C164 C163 H16B 109.8 . . ?
N15 C163 H16C 109.8 . . ?
C164 C163 H16C 109.8 . . ?
H16B C163 H16C 108.2 . . ?
C163 C164 C165 110.2(8) . . ?
C163 C164 H16D 109.6 . . ?
C165 C164 H16D 109.6 . . ?
C163 C164 H16E 109.6 . . ?
C165 C164 H16E 109.6 . . ?
H16D C164 H16E 108.1 . . ?
C164 C165 C166 111.8(8) . . ?
C164 C165 H16F 109.3 . . ?
C166 C165 H16F 109.3 . . ?
C164 C165 H16G 109.3 . . ?
C166 C165 H16G 109.3 . . ?
H16F C165 H16G 107.9 . . ?
C167 C166 C165 111.4(8) . . ?
C167 C166 H16H 109.3 . . ?
C165 C166 H16H 109.3 . . ?
C167 C166 H16I 109.3 . . ?
C165 C166 H16I 109.3 . . ?
H16H C166 H16I 108.0 . . ?
C168 C167 C166 113.2(9) . . ?
C168 C167 H16J 108.9 . . ?
C166 C167 H16J 108.9 . . ?
C168 C167 H16K 108.9 . . ?
C166 C167 H16K 108.9 . . ?
H16J C167 H16K 107.7 . . ?
N16 C168 C167 113.4(8) . . ?
N16 C168 H16L 108.9 . . ?
C167 C168 H16L 108.9 . . ?
N16 C168 H16M 108.9 . . ?
C167 C168 H16M 108.9 . . ?
H16L C168 H16M 107.7 . . ?
N16 C169 C170 128.3(10) . . ?
N16 C169 H16N 115.9 . . ?
C170 C169 H16N 115.9 . . ?
C175 C170 C171 119.3(10) . . ?
C175 C170 C169 123.6(10) . . ?
C171 C170 C169 117.1(11) . . ?
C172 C171 C170 119.9(12) . . ?
C172 C171 H17B 120.0 . . ?
C170 C171 H17B 120.0 . . ?
C173 C172 C171 119.6(12) . . ?
C173 C172 H17C 120.2 . . ?
C171 C172 H17C 120.2 . . ?
C172 C173 C174 122.1(12) . . ?
C172 C173 H17D 118.9 . . ?
C174 C173 H17D 118.9 . . ?
O32 C174 C175 117.0(10) . . ?
O32 C174 C173 124.5(11) . . ?
C175 C174 C173 118.4(11) . . ?
O31 C175 C170 122.8(9) . . ?
O31 C175 C174 116.7(10) . . ?
C170 C175 C174 120.6(10) . . ?
O32 C176 H17E 109.5 . . ?
O32 C176 H17F 109.5 . . ?
H17E C176 H17F 109.5 . . ?
O32 C176 H17G 109.5 . . ?
H17E C176 H17G 109.5 . . ?
H17F C176 H17G 109.5 . . ?
O33 C177 H17H 109.5 . . ?
O33 C177 H17I 109.5 . . ?
H17H C177 H17I 109.5 . . ?
O33 C177 H17J 109.5 . . ?
H17H C177 H17J 109.5 . . ?
H17I C177 H17J 109.5 . . ?
C179 C178 O33 123.7(9) . . ?
C179 C178 C183 122.2(10) . . ?
O33 C178 C183 114.1(8) . . ?
C180 C179 C178 119.0(11) . . ?
C180 C179 H17K 120.5 . . ?
C178 C179 H17K 120.5 . . ?
C179 C180 C181 121.4(11) . . ?
C179 C180 H18B 119.3 . . ?
C181 C180 H18B 119.3 . . ?
C180 C181 C182 119.5(11) . . ?
C180 C181 H18C 120.3 . . ?
C182 C181 H18C 120.3 . . ?
C183 C182 C181 119.8(10) . . ?
C183 C182 C184 127.1(9) . . ?
C181 C182 C184 112.8(10) . . ?
O34 C183 C182 123.3(8) . . ?
O34 C183 C178 118.6(8) . . ?
C182 C183 C178 118.0(9) . . ?
N17 C184 C182 126.8(8) . . ?
N17 C184 H18D 116.6 . . ?
C182 C184 H18D 116.6 . . ?
N17 C185 C186 109.5(7) . . ?
N17 C185 H18E 109.8 . . ?
C186 C185 H18E 109.8 . . ?
N17 C185 H18F 109.8 . . ?
C186 C185 H18F 109.8 . . ?
H18E C185 H18F 108.2 . . ?
C185 C186 C187 114.3(8) . . ?
C185 C186 H18G 108.7 . . ?
C187 C186 H18G 108.7 . . ?
C185 C186 H18H 108.7 . . ?
C187 C186 H18H 108.7 . . ?
H18G C186 H18H 107.6 . . ?
C188 C187 C186 110.9(9) . . ?
C188 C187 H18I 109.5 . . ?
C186 C187 H18I 109.5 . . ?
C188 C187 H18J 109.5 . . ?
C186 C187 H18J 109.5 . . ?
H18I C187 H18J 108.0 . . ?
C187 C188 C189 113.3(9) . . ?
C187 C188 H18K 108.9 . . ?
C189 C188 H18K 108.9 . . ?
C187 C188 H18L 108.9 . . ?
C189 C188 H18L 108.9 . . ?
H18K C188 H18L 107.7 . . ?
C190 C189 C188 114.6(9) . . ?
C190 C189 H18M 108.6 . . ?
C188 C189 H18M 108.6 . . ?
C190 C189 H18N 108.6 . . ?
C188 C189 H18N 108.6 . . ?
H18M C189 H18N 107.6 . . ?
N18 C190 C189 110.4(8) . . ?
N18 C190 H19B 109.6 . . ?
C189 C190 H19B 109.6 . . ?
N18 C190 H19C 109.6 . . ?
C189 C190 H19C 109.6 . . ?
H19B C190 H19C 108.1 . . ?
N18 C191 C192 130.5(10) . . ?
N18 C191 H19D 114.8 . . ?
C192 C191 H19D 114.8 . . ?
C197 C192 C193 119.5(11) . . ?
C197 C192 C191 123.5(10) . . ?
C193 C192 C191 117.0(11) . . ?
C194 C193 C192 122.9(13) . . ?
C194 C193 H19E 118.6 . . ?
C192 C193 H19E 118.6 . . ?
C195 C194 C193 118.6(14) . . ?
C195 C194 H19F 120.7 . . ?
C193 C194 H19F 120.7 . . ?
C194 C195 C196 120.6(14) . . ?
C194 C195 H19G 119.7 . . ?
C196 C195 H19G 119.7 . . ?
O36 C196 C197 112.4(10) . . ?
O36 C196 C195 125.6(11) . . ?
C197 C196 C195 121.9(12) . . ?
O35 C197 C192 126.7(10) . . ?
O35 C197 C196 117.0(10) . . ?
C192 C197 C196 116.3(10) . . ?
O36 C198 H19H 109.5 . . ?
O36 C198 H19I 109.5 . . ?
H19H C198 H19I 109.5 . . ?
O36 C198 H19J 109.5 . . ?
H19H C198 H19J 109.5 . . ?
H19I C198 H19J 109.5 . . ?
C200 C199 H19K 109.5 . . ?
C200 C199 H19L 109.5 . . ?
H19K C199 H19L 109.5 . . ?
C200 C199 H19M 109.5 . . ?
H19K C199 H19M 109.5 . . ?
H19L C199 H19M 109.5 . . ?
O38 C200 O37 124.8(7) . . ?
O38 C200 C199 117.8(7) . . ?
O37 C200 C199 117.4(7) . . ?
C202 C201 H20A 109.5 . . ?
C202 C201 H20B 109.5 . . ?
H20A C201 H20B 109.5 . . ?
C202 C201 H20C 109.5 . . ?
H20A C201 H20C 109.5 . . ?
H20B C201 H20C 109.5 . . ?
O39 C202 O40 121.1(10) . . ?
O39 C202 C201 119.0(12) . . ?
O40 C202 C201 119.9(11) . . ?
C204 C203 H20D 109.5 . . ?
C204 C203 H20E 109.5 . . ?
H20D C203 H20E 109.5 . . ?
C204 C203 H20F 109.5 . . ?
H20D C203 H20F 109.5 . . ?
H20E C203 H20F 109.5 . . ?
O42 C204 O41 121.3(8) . . ?
O42 C204 C203 119.0(8) . . ?
O41 C204 C203 119.7(8) . . ?
O42 C204 Cd6 59.4(4) . . ?
O41 C204 Cd6 62.1(4) . . ?
C203 C204 Cd6 175.2(8) . . ?
C206 C205 H20G 109.5 . . ?
C206 C205 H20H 109.5 . . ?
H20G C205 H20H 109.5 . . ?
C206 C205 H20I 109.5 . . ?
H20G C205 H20I 109.5 . . ?
H20H C205 H20I 109.5 . . ?
O43 C206 O44 120.3(7) . . ?
O43 C206 C205 122.2(8) . . ?
O44 C206 C205 117.4(7) . . ?
C208 C207 H20J 109.5 . . ?
C208 C207 H20K 109.5 . . ?
H20J C207 H20K 109.5 . . ?
C208 C207 H20L 109.5 . . ?
H20J C207 H20L 109.5 . . ?
H20K C207 H20L 109.5 . . ?
O46 C208 O45 122.2(7) . . ?
O46 C208 C207 118.4(8) . . ?
O45 C208 C207 119.3(8) . . ?
C210 C209 H20M 109.5 . . ?
C210 C209 H20N 109.5 . . ?
H20M C209 H20N 109.5 . . ?
C210 C209 H20O 109.5 . . ?
H20M C209 H20O 109.5 . . ?
H20N C209 H20O 109.5 . . ?
O47 C210 O48 123.9(7) . . ?
O47 C210 C209 117.6(7) . . ?
O48 C210 C209 118.5(7) . . ?
C212 C211 H21A 109.5 . . ?
C212 C211 H21B 109.5 . . ?
H21A C211 H21B 109.5 . . ?
C212 C211 H21C 109.5 . . ?
H21A C211 H21C 109.5 . . ?
H21B C211 H21C 109.5 . . ?
O49 C212 O50 119.4(9) . . ?
O49 C212 C211 121.5(9) . . ?
O50 C212 C211 118.9(9) . . ?
C214 C213 H21D 109.5 . . ?
C214 C213 H21E 109.5 . . ?
H21D C213 H21E 109.5 . . ?
C214 C213 H21F 109.5 . . ?
H21D C213 H21F 109.5 . . ?
H21E C213 H21F 109.5 . . ?
O51 C214 O52 117.7(10) . . ?
O51 C214 C213 123.5(10) . . ?
O52 C214 C213 118.8(10) . . ?
O51 C214 Cd9 61.8(5) . . ?
O52 C214 Cd9 55.9(5) . . ?
C213 C214 Cd9 174.2(9) . . ?
C216 C215 H21G 109.5 . . ?
C216 C215 H21H 109.5 . . ?
H21G C215 H21H 109.5 . . ?
C216 C215 H21I 109.5 . . ?
H21G C215 H21I 109.5 . . ?
H21H C215 H21I 109.5 . . ?
O54 C216 O53 124.8(10) . . ?
O54 C216 C215 120.7(11) . . ?
O53 C216 C215 114.2(10) . . ?
C218 C217 H21J 109.5 . . ?
C218 C217 H21K 109.5 . . ?
H21J C217 H21K 109.5 . . ?
C218 C217 H21L 109.5 . . ?
H21J C217 H21L 109.5 . . ?
H21K C217 H21L 109.5 . . ?
O55 C218 O56 124.6(8) . . ?
O55 C218 C217 116.5(8) . . ?
O56 C218 C217 118.9(8) . . ?
C220 C219 H21M 109.5 . . ?
C220 C219 H21N 109.5 . . ?
H21M C219 H21N 109.5 . . ?
C220 C219 H21O 109.5 . . ?
H21M C219 H21O 109.5 . . ?
H21N C219 H21O 109.5 . . ?
O57 C220 O58 119.7(7) . . ?
O57 C220 C219 121.2(7) . . ?
O58 C220 C219 119.1(7) . . ?
C222 C221 H22D 109.5 . . ?
C222 C221 H22E 109.5 . . ?
H22D C221 H22E 109.5 . . ?
C222 C221 H22F 109.5 . . ?
H22D C221 H22F 109.5 . . ?
H22E C221 H22F 109.5 . . ?
O59 C222 O60 121.0(8) . . ?
O59 C222 C221 122.7(9) . . ?
O60 C222 C221 116.3(9) . . ?
O59 C222 Cd4 67.8(5) . . ?
O60 C222 Cd4 53.4(4) . . ?
C221 C222 Cd4 168.6(8) . . ?
C224 C223 H22G 109.5 . . ?
C224 C223 H22H 109.5 . . ?
H22G C223 H22H 109.5 . . ?
C224 C223 H22I 109.5 . . ?
H22G C223 H22I 109.5 . . ?
H22H C223 H22I 109.5 . . ?
O62 C224 O61 123.7(7) . . ?
O62 C224 C223 120.0(8) . . ?
O61 C224 C223 116.4(8) . . ?
C236 C235 H23D 109.5 . . ?
C236 C235 H23E 109.5 . . ?
H23D C235 H23E 109.5 . . ?
C236 C235 H23F 109.5 . . ?
H23D C235 H23F 109.5 . . ?
H23E C235 H23F 109.5 . . ?
O64 C236 O63 124.6(7) . . ?
O64 C236 C235 117.7(8) . . ?
O63 C236 C235 117.7(8) . . ?
C238 C237 H23G 109.5 . . ?
C238 C237 H23H 109.5 . . ?
H23G C237 H23H 109.5 . . ?
C238 C237 H23I 109.5 . . ?
H23G C237 H23I 109.5 . . ?
H23H C237 H23I 109.5 . . ?
O79 C238 O80 118.8(8) . . ?
O79 C238 C237 121.7(9) . . ?
O80 C238 C237 119.5(9) . . ?
C240 C239 H23J 109.5 . . ?
C240 C239 H23K 109.5 . . ?
H23J C239 H23K 109.5 . . ?
C240 C239 H23L 109.5 . . ?
H23J C239 H23L 109.5 . . ?
H23K C239 H23L 109.5 . . ?
O66 C240 O65 118.9(13) . . ?
O66 C240 C239 120.8(13) . . ?
O65 C240 C239 119.6(13) . . ?
O66 C240 Cd10 50.1(6) . . ?
O65 C240 Cd10 69.2(7) . . ?
C239 C240 Cd10 170.9(11) . . ?
C242 C241 H24A 109.5 . . ?
C242 C241 H24B 109.5 . . ?
H24A C241 H24B 109.5 . . ?
C242 C241 H24C 109.5 . . ?
H24A C241 H24C 109.5 . . ?
H24B C241 H24C 109.5 . . ?
O70 C242 O69 126.3(8) . . ?
O70 C242 C241 118.6(8) . . ?
O69 C242 C241 115.0(8) . . ?
C244 C243 H24D 109.5 . . ?
C244 C243 H24E 109.5 . . ?
H24D C243 H24E 109.5 . . ?
C244 C243 H24F 109.5 . . ?
H24D C243 H24F 109.5 . . ?
H24E C243 H24F 109.5 . . ?
O71 C244 O72 124.5(10) . . ?
O71 C244 C243 119.6(11) . . ?
O72 C244 C243 115.8(11) . . ?
C246 C245 H24G 109.5 . . ?
C246 C245 H24H 109.5 . . ?
H24G C245 H24H 109.5 . . ?
C246 C245 H24I 109.5 . . ?
H24G C245 H24I 109.5 . . ?
H24H C245 H24I 109.5 . . ?
O68 C246 O67 122.4(9) . . ?
O68 C246 C245 119.7(12) . . ?
O67 C246 C245 117.7(11) . . ?
C248 C247 H24J 109.5 . . ?
C248 C247 H24K 109.5 . . ?
H24J C247 H24K 109.5 . . ?
C248 C247 H24L 109.5 . . ?
H24J C247 H24L 109.5 . . ?
H24K C247 H24L 109.5 . . ?
O75 C248 O76 116.9(9) . . ?
O75 C248 C247 122.9(9) . . ?
O76 C248 C247 119.9(9) . . ?
O75 C248 Cd17 62.9(5) . . ?
O76 C248 Cd17 54.2(4) . . ?
C247 C248 Cd17 174.2(7) . . ?
C250 C249 H24M 109.5 . . ?
C250 C249 H24N 109.5 . . ?
H24M C249 H24N 109.5 . . ?
C250 C249 H24O 109.5 . . ?
H24M C249 H24O 109.5 . . ?
H24N C249 H24O 109.5 . . ?
O73 C250 O74 118.8(7) . . ?
O73 C250 C249 122.0(8) . . ?
O74 C250 C249 119.2(8) . . ?
C252 C251 H25B 109.5 . . ?
C252 C251 H25C 109.5 . . ?
H25B C251 H25C 109.5 . . ?
C252 C251 H25D 109.5 . . ?
H25B C251 H25D 109.5 . . ?
H25C C251 H25D 109.5 . . ?
O78 C252 O77 126.5(8) . . ?
O78 C252 C251 117.9(9) . . ?
O77 C252 C251 115.6(9) . . ?
C254 C253 H25E 109.5 . . ?
C254 C253 H25F 109.5 . . ?
H25E C253 H25F 109.5 . . ?
C254 C253 H25G 109.5 . . ?
H25E C253 H25G 109.5 . . ?
H25F C253 H25G 109.5 . . ?
O84 C254 O83 126.0(7) . . ?
O84 C254 C253 118.3(7) . . ?
O83 C254 C253 115.7(8) . . ?
C256 C255 H25H 109.5 . . ?
C256 C255 H25I 109.5 . . ?
H25H C255 H25I 109.5 . . ?
C256 C255 H25J 109.5 . . ?
H25H C255 H25J 109.5 . . ?
H25I C255 H25J 109.5 . . ?
O81 C256 O82 121.8(10) . . ?
O81 C256 C255 120.3(10) . . ?
O82 C256 C255 117.5(11) . . ?
C258 C257 H25K 109.5 . . ?
C258 C257 H25L 109.5 . . ?
H25K C257 H25L 109.5 . . ?
C258 C257 H25M 109.5 . . ?
H25K C257 H25M 109.5 . . ?
H25L C257 H25M 109.5 . . ?
O86 C258 O85 121.8(14) . . ?
O86 C258 C257 115.2(12) . . ?
O85 C258 C257 122.9(12) . . ?
O86 C258 Cd11 60.0(7) . . ?
O85 C258 Cd11 61.8(7) . . ?
C257 C258 Cd11 175.1(10) . . ?
C260 C259 H25N 109.5 . . ?
C260 C259 H25O 109.5 . . ?
H25N C259 H25O 109.5 . . ?
C260 C259 H25P 109.5 . . ?
H25N C259 H25P 109.5 . . ?
H25O C259 H25P 109.5 . . ?
O87 C260 O88 123.0(9) . . ?
O87 C260 C259 119.2(11) . . ?
O88 C260 C259 117.8(10) . . ?
C262 C261 H26M 109.5 . . ?
C262 C261 H26N 109.5 . . ?
H26M C261 H26N 109.5 . . ?
C262 C261 H26O 109.5 . . ?
H26M C261 H26O 109.5 . . ?
H26N C261 H26O 109.5 . . ?
O90 C262 O89 120.4(7) . . ?
O90 C262 C261 123.8(8) . . ?
O89 C262 C261 115.9(8) . . ?
C264 C263 H26P 109.5 . . ?
C264 C263 H26Q 109.5 . . ?
H26P C263 H26Q 109.5 . . ?
C264 C263 H26R 109.5 . . ?
H26P C263 H26R 109.5 . . ?
H26Q C263 H26R 109.5 . . ?
O91 C264 O92 114.4(8) . . ?
O91 C264 C263 112.1(10) . . ?
O92 C264 C263 127.7(11) . . ?
O91 C264 Cd8 69.5(5) . . ?
O92 C264 Cd8 45.0(4) . . ?
C263 C264 Cd8 154.0(12) . . ?

_diffrn_measured_fraction_theta_max 0.985
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.985
_refine_diff_density_max         4.791
_refine_diff_density_min         -2.419
_refine_diff_density_rms         0.158
_database_code_depnum_ccdc_archive 'CCDC 921362'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_complex-3
#TrackingRef 'Complex-3.CIF'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C268.50 H369.50 Cd18 Cl10 Lu6 N18 O101.50'
_chemical_formula_weight         8900.84

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'
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Lu Lu -0.4720 5.8584 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c
_symmetry_space_group_name_Hall  -C2yc

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

_cell_length_a                   41.871(8)
_cell_length_b                   22.803(5)
_cell_length_c                   47.322(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 112.91(3)
_cell_angle_gamma                90.00
_cell_volume                     41618(16)
_cell_formula_units_Z            4
_cell_measurement_temperature    223(2)
_cell_measurement_reflns_used    42007
_cell_measurement_theta_min      1.04
_cell_measurement_theta_max      27.28

_exptl_crystal_description       Block
_exptl_crystal_colour            Yellow
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.421
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             17514
_exptl_absorpt_coefficient_mu    2.435
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.7000
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   
'DENZO and Scalepack (Otwinoski and Minor, 1997)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      223(1)
_diffrn_radiation_wavelength     0.710747
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Sealed tube'
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_measurement_device_type  'Mercury2 (2x2 bin mode)'
_diffrn_measurement_method       dtprofit.ref
_diffrn_detector_area_resol_mean 13.6612
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            99822
_diffrn_reflns_av_R_equivalents  0.0514
_diffrn_reflns_av_sigmaI/netI    0.0677
_diffrn_reflns_limit_h_min       -49
_diffrn_reflns_limit_h_max       49
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -56
_diffrn_reflns_limit_l_max       47
_diffrn_reflns_theta_min         1.53
_diffrn_reflns_theta_max         25.00
_reflns_number_total             35936
_reflns_number_gt                30649
_reflns_threshold_expression     >2sigma(I)
_computing_data_collection       'Collect software, Nonius B.V. 1998'
_computing_cell_refinement       'Collect software, Nonius B.V. 1998'
_computing_data_reduction        
;
DENZO and Scalepack (Otwinoski and Minor, 1997)
;
_computing_structure_solution    
;

SIR97 - Altomare A., Burla M.C., Camalli M., Cascarano G.L., Giacovazzo C.,
Guagliardi A., Moliterni A.G.G., Polidori G.,Spagna R.
;
_computing_structure_refinement  'XL SHELXTL/PC, Siemens Analytical'
_computing_molecular_graphics    'XP SHELXTL/PC, Siemens Analytical'
_computing_publication_material  ?



_refine_special_details          
;
Refinement of F² against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F², conventional R-factors R are based
on F, with F set to zero for negative F². The threshold expression of
F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F² are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.

Restraints: ISOR was applied to all non-hydrogen atoms to allow their Uij
components approximate to isotropic behavior.

Hydrogen atomes of water molecules were not added.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           fullcycle
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0779P)²+678.7199P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         35936
_refine_ls_number_parameters     2099
_refine_ls_number_restraints     1415
_refine_ls_R_factor_all          0.0840
_refine_ls_R_factor_gt           0.0722
_refine_ls_wR_factor_ref         0.1889
_refine_ls_wR_factor_gt          0.1791
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_restrained_S_all      1.099
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.002

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Lu1 Lu 0.352914(10) 0.880347(17) 0.230335(10) 0.03279(10) Uani 1 1 d U . .
Lu2 Lu 0.385185(10) 0.478867(19) 0.261845(9) 0.03508(11) Uani 1 1 d U . .
Lu3 Lu 0.531755(12) 0.737470(19) 0.415181(9) 0.03889(11) Uani 1 1 d U . .
Cd1 Cd 0.239469(18) 0.69107(3) 0.197239(17) 0.03759(17) Uani 1 1 d U . .
Cd2 Cd 0.339705(18) 0.60226(3) 0.210117(16) 0.03466(16) Uani 1 1 d U . .
Cd3 Cd 0.447351(19) 0.41880(3) 0.333070(16) 0.03847(17) Uani 1 1 d U . .
Cd4 Cd 0.43592(2) 0.45271(4) 0.402070(16) 0.04481(19) Uani 1 1 d U . .
Cd5 Cd 0.504758(18) 0.58729(3) 0.384472(15) 0.03704(17) Uani 1 1 d U . .
Cd6 Cd 0.515784(19) 0.89404(3) 0.406183(17) 0.03845(17) Uani 1 1 d U . .
Cd7 Cd 0.43293(2) 0.94314(4) 0.400308(18) 0.0502(2) Uani 1 1 d U . .
Cd8 Cd 0.429256(18) 0.89834(3) 0.304192(16) 0.03605(16) Uani 1 1 d U . .
Cd9 Cd 0.289724(17) 0.78955(3) 0.172686(16) 0.03499(16) Uani 1 1 d U . .
Cl1 Cl 0.38122(12) 0.5934(2) 0.26766(10) 0.0845(15) Uani 1 1 d U . .
Cl2 Cl 0.39302(11) 0.80747(18) 0.28147(11) 0.0749(13) Uani 1 1 d U . .
Cl3 Cl 0.43072(9) 0.96192(17) 0.45091(7) 0.0724(10) Uani 1 1 d U . .
Cl4 Cl 0.38657(8) 0.39323(14) 0.40007(6) 0.0591(8) Uani 1 1 d U . .
Cl5 Cl 0.18624(7) 0.74090(11) 0.19384(7) 0.0484(6) Uani 1 1 d U . .
N1 N 0.3760(2) 0.4055(4) 0.22002(19) 0.041(2) Uani 1 1 d U . .
N2 N 0.5451(2) 0.5216(3) 0.41397(17) 0.0341(17) Uani 1 1 d U . .
N3 N 0.2810(3) 0.7930(4) 0.1226(2) 0.049(2) Uani 1 1 d U . .
N4 N 0.5561(2) 0.9601(4) 0.4064(2) 0.056(2) Uani 1 1 d U . .
N5 N 0.4445(2) 0.9953(3) 0.31112(19) 0.0366(18) Uani 1 1 d U . .
N6 N 0.35667(19) 0.9763(3) 0.20687(19) 0.0343(18) Uani 1 1 d U . .
N7 N 0.3041(2) 0.5668(3) 0.16347(17) 0.0349(18) Uani 1 1 d U . .
N8 N 0.5942(2) 0.7225(4) 0.44762(18) 0.0371(18) Uani 1 1 d U . .
N9 N 0.4889(3) 0.3535(5) 0.3342(2) 0.055(2) Uani 1 1 d U . .
O1 O 0.41520(19) 0.3256(3) 0.33195(16) 0.0457(17) Uani 1 1 d U . .
O2 O 0.40671(17) 0.3937(3) 0.28501(15) 0.0395(16) Uani 1 1 d U . .
O3 O 0.53291(17) 0.6426(3) 0.42845(14) 0.0376(15) Uani 1 1 d U . .
O4 O 0.5376(2) 0.7169(3) 0.47036(16) 0.0482(18) Uani 1 1 d U . .
O5 O 0.21428(17) 0.6237(3) 0.15484(17) 0.0438(17) Uani 1 1 d U . .
O6 O 0.24948(17) 0.7186(3) 0.15576(14) 0.0359(15) Uani 1 1 d U . .
O7 O 0.48293(17) 0.9742(3) 0.39834(16) 0.0433(17) Uani 1 1 d U . .
O8 O 0.4306(2) 1.0447(4) 0.3883(2) 0.073(3) Uani 1 1 d U . .
O9 O 0.31292(16) 0.9501(3) 0.24326(16) 0.0384(15) Uani 1 1 d U . .
O10 O 0.37886(16) 0.9401(3) 0.27034(14) 0.0338(14) Uani 1 1 d U . .
O11 O 0.30691(16) 0.8865(3) 0.18546(15) 0.0363(15) Uani 1 1 d U . .
O12 O 0.24042(17) 0.8600(3) 0.15816(16) 0.0431(17) Uani 1 1 d U . .
O13 O 0.33189(17) 0.4204(3) 0.25717(16) 0.0442(17) Uani 1 1 d U . .
O14 O 0.33536(16) 0.5063(3) 0.22341(14) 0.0343(14) Uani 1 1 d U . .
O15 O 0.55240(17) 0.8234(3) 0.43730(15) 0.0399(16) Uani 1 1 d U . .
O16 O 0.53643(18) 0.9173(3) 0.46202(16) 0.0478(18) Uani 1 1 d U . .
O17 O 0.4877(2) 0.4131(4) 0.44282(17) 0.059(2) Uani 1 1 d U . .
O18 O 0.47015(19) 0.4026(3) 0.38398(15) 0.0460(17) Uani 1 1 d U . .
O19 O 0.41359(16) 0.5129(3) 0.23467(15) 0.0361(15) Uani 1 1 d U . .
O20 O 0.38971(16) 0.5863(3) 0.20173(14) 0.0345(14) Uani 1 1 d U . .
O21 O 0.2839(2) 0.6154(4) 0.2161(2) 0.065(2) Uani 1 1 d U . .
O22 O 0.24933(18) 0.6344(3) 0.23919(17) 0.0483(18) Uani 1 1 d U . .
O23 O 0.33634(17) 0.7001(3) 0.19146(17) 0.0459(17) Uani 1 1 d U . .
O24 O 0.34741(16) 0.7920(3) 0.20329(15) 0.0363(15) Uani 1 1 d U . .
O25 O 0.27883(17) 0.7661(3) 0.21459(15) 0.0384(15) Uani 1 1 d U . .
O26 O 0.31500(18) 0.8311(3) 0.24569(15) 0.0416(16) Uani 1 1 d U . .
O27 O 0.40343(16) 0.8769(3) 0.22565(15) 0.0351(14) Uani 1 1 d U . .
O28 O 0.45259(17) 0.8827(3) 0.26746(15) 0.0384(15) Uani 1 1 d U . .
O29 O 0.3770(2) 0.9226(4) 0.37319(18) 0.064(2) Uani 1 1 d U . .
O30 O 0.4074(2) 0.9173(4) 0.34457(18) 0.063(2) Uani 1 1 d U . .
O31 O 0.48087(17) 0.8740(3) 0.34485(15) 0.0405(16) Uani 1 1 d U . .
O32 O 0.5141(2) 0.8124(3) 0.37782(15) 0.0460(18) Uani 1 1 d U . .
O33 O 0.46645(18) 0.8612(3) 0.41063(16) 0.0457(17) Uani 1 1 d U . .
O34 O 0.4837(2) 0.7694(3) 0.42319(17) 0.0501(18) Uani 1 1 d U . .
O35 O 0.55535(19) 0.7093(3) 0.38270(15) 0.0426(16) Uani 1 1 d U . .
O36 O 0.54028(17) 0.6219(3) 0.36089(14) 0.0358(15) Uani 1 1 d U . .
O37 O 0.4842(2) 0.6923(4) 0.37648(19) 0.061(2) Uani 1 1 d U . .
O38 O 0.4482(2) 0.6267(5) 0.3623(2) 0.085(3) Uani 1 1 d U . .
O39 O 0.4709(2) 0.5425(3) 0.41138(19) 0.055(2) Uani 1 1 d U . .
O40 O 0.4314(2) 0.5304(4) 0.43025(18) 0.055(2) Uani 1 1 d U . .
O41 O 0.41205(18) 0.4706(3) 0.34999(15) 0.0431(16) Uani 1 1 d U . .
O42 O 0.37233(18) 0.4926(3) 0.30431(14) 0.0412(16) Uani 1 1 d U . .
O43 O 0.48125(18) 0.5199(3) 0.34346(15) 0.0433(17) Uani 1 1 d U . .
O44 O 0.44071(17) 0.4952(3) 0.29967(14) 0.0380(15) Uani 1 1 d U . .
C1 C 0.4207(3) 0.2880(5) 0.3577(3) 0.056(3) Uani 1 1 d U . .
H1A H 0.4050 0.2553 0.3514 0.084 Uiso 1 1 calc R . .
H1B H 0.4166 0.3096 0.3734 0.084 Uiso 1 1 calc R . .
H1C H 0.4441 0.2738 0.3657 0.084 Uiso 1 1 calc R . .
C2 C 0.4044(3) 0.2985(5) 0.3039(3) 0.048(3) Uani 1 1 d U . .
C3 C 0.3986(4) 0.2398(6) 0.2985(3) 0.070(4) Uani 1 1 d U . .
H3A H 0.4028 0.2147 0.3150 0.084 Uiso 1 1 calc R . .
C4 C 0.3867(4) 0.2164(7) 0.2690(3) 0.081(4) Uani 1 1 d U . .
H4A H 0.3840 0.1761 0.2662 0.097 Uiso 1 1 calc R . .
C5 C 0.3792(4) 0.2518(6) 0.2449(3) 0.074(4) Uani 1 1 d U . .
H5A H 0.3698 0.2365 0.2251 0.088 Uiso 1 1 calc R . .
C6 C 0.3857(3) 0.3147(5) 0.2495(3) 0.051(3) Uani 1 1 d U . .
C7 C 0.3992(3) 0.3372(4) 0.2789(2) 0.043(2) Uani 1 1 d U . .
C8 C 0.3760(3) 0.3495(5) 0.2218(3) 0.048(3) Uani 1 1 d U . .
H8A H 0.3691 0.3290 0.2034 0.057 Uiso 1 1 calc R . .
C9 C 0.3667(3) 0.4279(5) 0.1882(2) 0.042(2) Uani 1 1 d U . .
H9A H 0.3613 0.4693 0.1876 0.063 Uiso 1 1 calc R . .
H9B H 0.3460 0.4077 0.1745 0.063 Uiso 1 1 calc R . .
C10 C 0.6047(3) 0.4191(5) 0.3230(2) 0.044(2) Uani 1 1 d U . .
H10A H 0.5830 0.4316 0.3071 0.066 Uiso 1 1 calc R . .
H10B H 0.6028 0.3777 0.3266 0.066 Uiso 1 1 calc R . .
C11 C 0.6104(3) 0.4524(5) 0.3518(2) 0.048(3) Uani 1 1 d U . .
H11A H 0.6113 0.4941 0.3480 0.058 Uiso 1 1 calc R . .
H11B H 0.6326 0.4412 0.3675 0.058 Uiso 1 1 calc R . .
C12 C 0.5816(3) 0.4406(5) 0.3634(3) 0.049(3) Uani 1 1 d U . .
H12A H 0.5595 0.4397 0.3460 0.059 Uiso 1 1 calc R . .
H12B H 0.5853 0.4023 0.3730 0.059 Uiso 1 1 calc R . .
C13 C 0.5799(3) 0.4861(5) 0.3861(2) 0.043(2) Uani 1 1 d U . .
H13A H 0.5748 0.5241 0.3762 0.052 Uiso 1 1 calc R . .
H13B H 0.6023 0.4886 0.4031 0.052 Uiso 1 1 calc R . .
C14 C 0.5524(3) 0.4707(4) 0.3982(2) 0.041(2) Uani 1 1 d U . .
H14A H 0.5313 0.4588 0.3813 0.050 Uiso 1 1 calc R . .
H14B H 0.5603 0.4380 0.4123 0.050 Uiso 1 1 calc R . .
C15 C 0.5596(3) 0.5199(5) 0.4433(2) 0.042(2) Uani 1 1 d U . .
H15A H 0.5713 0.4855 0.4518 0.051 Uiso 1 1 calc R . .
C16 C 0.5598(2) 0.5656(5) 0.4650(2) 0.037(2) Uani 1 1 d U . .
C17 C 0.5755(3) 0.5495(5) 0.4962(2) 0.046(3) Uani 1 1 d U . .
H17A H 0.5839 0.5115 0.5014 0.055 Uiso 1 1 calc R . .
C18 C 0.5785(3) 0.5893(5) 0.5193(3) 0.054(3) Uani 1 1 d U . .
H18A H 0.5890 0.5785 0.5399 0.064 Uiso 1 1 calc R . .
C19 C 0.5657(3) 0.6444(6) 0.5113(2) 0.051(3) Uani 1 1 d U . .
H19A H 0.5669 0.6709 0.5267 0.061 Uiso 1 1 calc R . .
C20 C 0.5508(3) 0.6618(5) 0.4810(2) 0.043(2) Uani 1 1 d U . .
C21 C 0.5470(3) 0.6220(4) 0.4568(2) 0.036(2) Uani 1 1 d U . .
C22 C 0.5306(3) 0.7547(5) 0.4918(3) 0.056(3) Uani 1 1 d U . .
H22A H 0.5356 0.7341 0.5107 0.084 Uiso 1 1 calc R . .
H22B H 0.5067 0.7662 0.4833 0.084 Uiso 1 1 calc R . .
H22C H 0.5450 0.7890 0.4956 0.084 Uiso 1 1 calc R . .
C23 C 0.1958(3) 0.5720(5) 0.1556(3) 0.057(3) Uani 1 1 d U . .
H23A H 0.2027 0.5406 0.1457 0.086 Uiso 1 1 calc R . .
H23B H 0.1713 0.5789 0.1452 0.086 Uiso 1 1 calc R . .
H23C H 0.2007 0.5614 0.1766 0.086 Uiso 1 1 calc R . .
C24 C 0.2163(2) 0.6387(5) 0.1271(2) 0.042(2) Uani 1 1 d U . .
C25 C 0.2018(3) 0.6083(5) 0.1007(3) 0.051(3) Uani 1 1 d U . .
H25A H 0.1891 0.5744 0.1001 0.061 Uiso 1 1 calc R . .
C26 C 0.2058(3) 0.6274(5) 0.0749(3) 0.055(3) Uani 1 1 d U . .
H26A H 0.1963 0.6060 0.0568 0.066 Uiso 1 1 calc R . .
C27 C 0.2236(3) 0.6781(5) 0.0756(3) 0.055(3) Uani 1 1 d U . .
H27A H 0.2253 0.6910 0.0575 0.066 Uiso 1 1 calc R . .
C28 C 0.2399(3) 0.7122(5) 0.1030(2) 0.044(2) Uani 1 1 d U . .
C29 C 0.2361(2) 0.6923(4) 0.1298(2) 0.035(2) Uani 1 1 d U . .
C30 C 0.2604(3) 0.7604(5) 0.1007(3) 0.051(3) Uani 1 1 d U . .
H30A H 0.2587 0.7695 0.0810 0.062 Uiso 1 1 calc R . .
C31 C 0.3016(4) 0.8368(6) 0.1144(3) 0.075(4) Uani 1 1 d U . .
H31A H 0.3012 0.8738 0.1243 0.090 Uiso 1 1 calc R . .
H31B H 0.2920 0.8429 0.0923 0.090 Uiso 1 1 calc R . .
C32 C 0.3384(5) 0.8146(7) 0.1247(4) 0.089(5) Uani 1 1 d U . .
H32A H 0.3400 0.7797 0.1136 0.107 Uiso 1 1 calc R A 1
H32B H 0.3486 0.8069 0.1466 0.107 Uiso 1 1 calc R A 1
C33 C 0.3554(6) 0.8703(11) 0.1157(6) 0.063(6) Uani 0.575(16) 1 d PU . 1
H33A H 0.3383 0.8880 0.0978 0.095 Uiso 0.575(16) 1 d PR . 1
H33B H 0.3633 0.8985 0.1320 0.095 Uiso 0.575(16) 1 d PR . 1
C34 C 0.6252(5) 0.8777(9) 0.3948(5) 0.049(5) Uani 0.575(16) 1 d PU . 1
H34A H 0.6403 0.9030 0.4106 0.074 Uiso 0.575(16) 1 d PR . 1
H34B H 0.6245 0.8397 0.4034 0.074 Uiso 0.575(16) 1 d PR . 1
C99 C 0.4899(7) 0.4106(12) 0.2538(6) 0.077(8) Uani 0.575(16) 1 d PU . 1
H99A H 0.4722 0.3838 0.2410 0.115 Uiso 0.575(16) 1 calc PR . 1
H99C H 0.4797 0.4496 0.2504 0.115 Uiso 0.575(16) 1 calc PR . 1
C99' C 0.4961(8) 0.3626(14) 0.2590(6) 0.059(8) Uani 0.425(16) 1 d PU . 2
H99D H 0.5012 0.3222 0.2658 0.089 Uiso 0.425(16) 1 calc PR . 2
H99E H 0.4711 0.3632 0.2479 0.089 Uiso 0.425(16) 1 calc PR . 2
C33' C 0.3759(6) 0.8497(10) 0.1349(5) 0.034(6) Uani 0.425(16) 1 d PU . 2
H33D H 0.3708 0.8912 0.1348 0.050 Uiso 0.425(16) 1 calc PR . 2
H33F H 0.3894 0.8392 0.1561 0.050 Uiso 0.425(16) 1 calc PR . 2
C34' C 0.6084(7) 0.8450(11) 0.3766(6) 0.047(7) Uani 0.425(16) 1 d PU . 2
H34D H 0.6223 0.8283 0.3965 0.070 Uiso 0.425(16) 1 calc PR . 2
H34F H 0.5911 0.8159 0.3657 0.070 Uiso 0.425(16) 1 calc PR . 2
C35 C 0.5871(5) 0.9032(8) 0.3829(4) 0.099(5) Uani 1 1 d U . .
H35A H 0.5822 0.9295 0.3657 0.119 Uiso 1 1 calc R . 1
H35B H 0.5697 0.8724 0.3776 0.119 Uiso 1 1 calc R . 1
C36 C 0.5898(3) 0.9343(7) 0.4108(4) 0.076(4) Uani 1 1 d U . .
H36A H 0.6071 0.9650 0.4152 0.091 Uiso 1 1 calc R . .
H36B H 0.5970 0.9074 0.4280 0.091 Uiso 1 1 calc R . .
C37 C 0.5521(3) 1.0171(5) 0.4048(3) 0.062(3) Uani 1 1 d U . .
H37A H 0.5720 1.0385 0.4074 0.074 Uiso 1 1 calc R . .
C38 C 0.5215(3) 1.0513(5) 0.3995(3) 0.057(3) Uani 1 1 d U . .
C39 C 0.5258(4) 1.1132(7) 0.3973(4) 0.087(5) Uani 1 1 d U . .
H39A H 0.5473 1.1285 0.3998 0.104 Uiso 1 1 calc R . .
C40 C 0.4974(5) 1.1508(8) 0.3915(4) 0.102(5) Uani 1 1 d U . .
H40A H 0.5002 1.1909 0.3896 0.122 Uiso 1 1 calc R . .
C41 C 0.4658(4) 1.1293(6) 0.3885(4) 0.081(4) Uani 1 1 d U . .
H41A H 0.4473 1.1547 0.3850 0.097 Uiso 1 1 calc R . .
C42 C 0.4615(3) 1.0709(5) 0.3906(3) 0.060(3) Uani 1 1 d U . .
C43 C 0.4894(3) 1.0296(5) 0.3969(2) 0.050(3) Uani 1 1 d U . .
C44 C 0.4051(5) 1.0822(8) 0.3925(5) 0.110(6) Uani 1 1 d U . .
H44A H 0.4030 1.1179 0.3812 0.164 Uiso 1 1 calc R . .
H44B H 0.4121 1.0910 0.4139 0.164 Uiso 1 1 calc R . .
H44C H 0.3831 1.0624 0.3853 0.164 Uiso 1 1 calc R . .
C45 C 0.2760(3) 0.9464(5) 0.2352(3) 0.048(3) Uani 1 1 d U . .
H45A H 0.2691 0.9756 0.2464 0.073 Uiso 1 1 calc R . .
H45B H 0.2703 0.9081 0.2404 0.073 Uiso 1 1 calc R . .
H45C H 0.2640 0.9530 0.2136 0.073 Uiso 1 1 calc R . .
C46 C 0.3297(2) 0.9980(4) 0.2611(2) 0.036(2) Uani 1 1 d U . .
C47 C 0.3133(3) 1.0476(5) 0.2645(2) 0.043(2) Uani 1 1 d U . .
H47A H 0.2894 1.0513 0.2545 0.052 Uiso 1 1 calc R . .
C48 C 0.3332(3) 1.0930(5) 0.2832(3) 0.048(3) Uani 1 1 d U . .
H48A H 0.3226 1.1272 0.2858 0.057 Uiso 1 1 calc R . .
C49 C 0.3680(3) 1.0866(4) 0.2973(2) 0.041(2) Uani 1 1 d U . .
H49A H 0.3807 1.1172 0.3095 0.049 Uiso 1 1 calc R . .
C50 C 0.3861(3) 1.0357(4) 0.2945(2) 0.039(2) Uani 1 1 d U . .
C51 C 0.3658(2) 0.9906(4) 0.2754(2) 0.036(2) Uani 1 1 d U . .
C52 C 0.4233(2) 1.0367(5) 0.3088(2) 0.040(2) Uani 1 1 d U . .
H52A H 0.4331 1.0722 0.3176 0.048 Uiso 1 1 calc R . .
C53 C 0.4818(2) 1.0089(5) 0.3241(2) 0.043(2) Uani 1 1 d U . .
H53A H 0.4939 0.9799 0.3396 0.051 Uiso 1 1 calc R . .
H53B H 0.4854 1.0469 0.3341 0.051 Uiso 1 1 calc R . .
C54 C 0.4972(2) 1.0095(4) 0.2998(2) 0.036(2) Uani 1 1 d U . .
H54A H 0.4898 0.9747 0.2871 0.043 Uiso 1 1 calc R . .
H54B H 0.4887 1.0435 0.2867 0.043 Uiso 1 1 calc R . .
C55 C 0.5364(2) 1.0113(5) 0.3143(2) 0.039(2) Uani 1 1 d U . .
H55A H 0.5447 0.9761 0.3265 0.047 Uiso 1 1 calc R . .
H55B H 0.5436 1.0447 0.3280 0.047 Uiso 1 1 calc R . .
C56 C 0.5535(2) 1.0156(4) 0.2912(2) 0.038(2) Uani 1 1 d U . .
H56A H 0.5507 1.0551 0.2831 0.046 Uiso 1 1 calc R . .
H56B H 0.5417 0.9892 0.2742 0.046 Uiso 1 1 calc R . .
C57 C 0.5920(2) 1.0004(4) 0.3051(2) 0.038(2) Uani 1 1 d U . .
H57B H 0.6036 1.0258 0.3225 0.058 Uiso 1 1 calc R . .
H57C H 0.5947 0.9603 0.3126 0.058 Uiso 1 1 calc R . .
C58 C 0.3906(2) 1.0068(4) 0.2177(2) 0.038(2) Uani 1 1 d U . .
H58A H 0.4056 0.9906 0.2373 0.057 Uiso 1 1 calc R . .
H58B H 0.3872 1.0480 0.2206 0.057 Uiso 1 1 calc R . .
C59 C 0.3315(3) 1.0081(5) 0.1899(3) 0.047(3) Uani 1 1 d U . .
H59A H 0.3365 1.0467 0.1869 0.056 Uiso 1 1 calc R . .
C60 C 0.2954(3) 0.9889(5) 0.1745(3) 0.046(3) Uani 1 1 d U . .
C61 C 0.2706(3) 1.0332(6) 0.1612(3) 0.069(4) Uani 1 1 d U . .
H61A H 0.2780 1.0719 0.1622 0.082 Uiso 1 1 calc R . .
C62 C 0.2354(3) 1.0206(6) 0.1466(3) 0.067(3) Uani 1 1 d U . .
H62A H 0.2192 1.0505 0.1386 0.081 Uiso 1 1 calc R . .
C63 C 0.2251(3) 0.9624(5) 0.1444(3) 0.057(3) Uani 1 1 d U . .
H63A H 0.2018 0.9531 0.1340 0.068 Uiso 1 1 calc R . .
C64 C 0.2486(2) 0.9180(5) 0.1574(2) 0.043(2) Uani 1 1 d U . .
C65 C 0.2846(3) 0.9309(4) 0.1730(2) 0.039(2) Uani 1 1 d U . .
C66 C 0.2047(3) 0.8441(5) 0.1431(3) 0.050(3) Uani 1 1 d U . .
H66A H 0.1904 0.8760 0.1444 0.075 Uiso 1 1 calc R . .
H66B H 0.2001 0.8101 0.1528 0.075 Uiso 1 1 calc R . .
H66C H 0.1997 0.8355 0.1219 0.075 Uiso 1 1 calc R . .
C67 C 0.3265(3) 0.3822(5) 0.2791(3) 0.050(3) Uani 1 1 d U . .
H67A H 0.3021 0.3766 0.2736 0.075 Uiso 1 1 calc R . .
H67B H 0.3365 0.3996 0.2992 0.075 Uiso 1 1 calc R . .
H67C H 0.3373 0.3451 0.2793 0.075 Uiso 1 1 calc R . .
C68 C 0.3049(2) 0.4236(4) 0.2284(2) 0.035(2) Uani 1 1 d U . .
C69 C 0.2774(3) 0.3859(5) 0.2179(3) 0.047(3) Uani 1 1 d U . .
H69A H 0.2756 0.3558 0.2305 0.057 Uiso 1 1 calc R . .
C70 C 0.2523(3) 0.3926(5) 0.1886(3) 0.050(3) Uani 1 1 d U . .
H70A H 0.2338 0.3665 0.1812 0.060 Uiso 1 1 calc R . .
C71 C 0.2551(3) 0.4383(5) 0.1705(2) 0.042(2) Uani 1 1 d U . .
H71A H 0.2382 0.4425 0.1508 0.051 Uiso 1 1 calc R . .
C72 C 0.2826(2) 0.4787(4) 0.1810(2) 0.036(2) Uani 1 1 d U . .
C73 C 0.3082(2) 0.4716(4) 0.2111(2) 0.034(2) Uani 1 1 d U . .
C74 C 0.2835(2) 0.5215(4) 0.1594(2) 0.034(2) Uani 1 1 d U . .
H74A H 0.2672 0.5165 0.1396 0.041 Uiso 1 1 calc R . .
C75 C 0.3004(2) 0.6027(4) 0.1369(2) 0.035(2) Uani 1 1 d U . .
H75A H 0.3003 0.6437 0.1423 0.043 Uiso 1 1 calc R . .
H75B H 0.2783 0.5942 0.1205 0.043 Uiso 1 1 calc R . .
C76 C 0.3288(2) 0.5930(5) 0.1254(2) 0.037(2) Uani 1 1 d U . .
H76A H 0.3253 0.5554 0.1151 0.045 Uiso 1 1 calc R . .
H76B H 0.3509 0.5918 0.1427 0.045 Uiso 1 1 calc R . .
C77 C 0.3299(3) 0.6403(5) 0.1035(2) 0.041(2) Uani 1 1 d U . .
H77A H 0.3360 0.6771 0.1146 0.049 Uiso 1 1 calc R . .
H77B H 0.3069 0.6447 0.0876 0.049 Uiso 1 1 calc R . .
C78 C 0.3554(3) 0.6285(4) 0.0884(2) 0.042(2) Uani 1 1 d U . .
H78A H 0.3457 0.5988 0.0727 0.062 Uiso 1 1 calc R . .
H78B H 0.3766 0.6128 0.1037 0.062 Uiso 1 1 calc R . .
C79 C 0.6355(3) 0.6832(5) 0.4264(2) 0.041(2) Uani 1 1 d U . .
H79A H 0.6566 0.6997 0.4415 0.062 Uiso 1 1 calc R . .
H79B H 0.6249 0.7126 0.4107 0.062 Uiso 1 1 calc R . .
C80 C 0.6108(3) 0.6682(5) 0.4417(2) 0.045(2) Uani 1 1 d U . .
H80A H 0.5930 0.6418 0.4287 0.054 Uiso 1 1 calc R . .
H80B H 0.6234 0.6484 0.4610 0.054 Uiso 1 1 calc R . .
C81 C 0.6125(3) 0.7511(4) 0.4712(2) 0.038(2) Uani 1 1 d U . .
H81A H 0.6342 0.7356 0.4826 0.046 Uiso 1 1 calc R . .
C82 C 0.6038(3) 0.8057(4) 0.4829(2) 0.039(2) Uani 1 1 d U . .
C83 C 0.6253(3) 0.8237(5) 0.5128(3) 0.056(3) Uani 1 1 d U . .
H83A H 0.6445 0.8014 0.5244 0.067 Uiso 1 1 calc R . .
C84 C 0.6176(3) 0.8744(5) 0.5247(3) 0.052(3) Uani 1 1 d U . .
H84A H 0.6329 0.8875 0.5438 0.062 Uiso 1 1 calc R . .
C85 C 0.5880(3) 0.9061(5) 0.5089(2) 0.046(3) Uani 1 1 d U . .
H85A H 0.5824 0.9385 0.5180 0.055 Uiso 1 1 calc R . .
C86 C 0.5664(3) 0.8895(5) 0.4795(2) 0.044(2) Uani 1 1 d U . .
C87 C 0.5733(3) 0.8382(4) 0.4658(2) 0.041(2) Uani 1 1 d U . .
C88 C 0.5290(3) 0.9721(5) 0.4733(3) 0.056(3) Uani 1 1 d U . .
H88A H 0.5289 0.9663 0.4934 0.084 Uiso 1 1 calc R . .
H88B H 0.5067 0.9860 0.4597 0.084 Uiso 1 1 calc R . .
H88C H 0.5464 1.0004 0.4744 0.084 Uiso 1 1 calc R . .
C89 C 0.5004(3) 0.4307(6) 0.4742(3) 0.065(3) Uani 1 1 d U . .
H89A H 0.5137 0.3994 0.4869 0.097 Uiso 1 1 calc R . .
H89B H 0.4811 0.4398 0.4797 0.097 Uiso 1 1 calc R . .
H89C H 0.5148 0.4647 0.4771 0.097 Uiso 1 1 calc R . .
C90 C 0.5076(3) 0.3762(6) 0.4339(3) 0.059(3) Uani 1 1 d U . .
C91 C 0.5361(4) 0.3456(7) 0.4534(3) 0.079(4) Uani 1 1 d U . .
H91A H 0.5435 0.3498 0.4745 0.095 Uiso 1 1 calc R . .
C92 C 0.5534(4) 0.3091(7) 0.4413(4) 0.089(5) Uani 1 1 d U . .
H92A H 0.5720 0.2874 0.4544 0.106 Uiso 1 1 calc R . .
C93 C 0.5438(4) 0.3039(7) 0.4101(4) 0.079(4) Uani 1 1 d U . .
H93A H 0.5563 0.2792 0.4025 0.095 Uiso 1 1 calc R . .
C94 C 0.5155(3) 0.3352(6) 0.3897(3) 0.057(3) Uani 1 1 d U . .
C95 C 0.4967(3) 0.3709(5) 0.4007(3) 0.050(3) Uani 1 1 d U . .
C96 C 0.5100(3) 0.3275(6) 0.3580(3) 0.063(3) Uani 1 1 d U . .
H96A H 0.5239 0.2993 0.3543 0.075 Uiso 1 1 calc R . .
C97 C 0.4897(4) 0.3408(7) 0.3037(3) 0.080(4) Uani 1 1 d U . .
H97A H 0.5063 0.3098 0.3059 0.096 Uiso 1 1 calc R . .
H97B H 0.4670 0.3268 0.2901 0.096 Uiso 1 1 calc R . .
C98 C 0.4990(4) 0.3927(8) 0.2901(3) 0.086(5) Uani 1 1 d U . .
H98A H 0.5241 0.3945 0.2998 0.103 Uiso 1 1 calc R . 1
H98B H 0.4907 0.4257 0.2983 0.103 Uiso 1 1 calc R . 1
C100 C 0.4482(3) 0.5590(5) 0.2112(2) 0.042(2) Uani 1 1 d U . .
H10D H 0.4474 0.5942 0.1998 0.063 Uiso 1 1 calc R . .
H10E H 0.4511 0.5258 0.2000 0.063 Uiso 1 1 calc R . .
H10F H 0.4672 0.5611 0.2307 0.063 Uiso 1 1 calc R . .
C101 C 0.4139(2) 0.5525(4) 0.2161(2) 0.0308(19) Uani 1 1 d U . .
C102 C 0.2915(3) 0.5616(5) 0.2623(3) 0.055(3) Uani 1 1 d U . .
H10G H 0.3110 0.5445 0.2595 0.083 Uiso 1 1 calc R . .
H10H H 0.2748 0.5316 0.2609 0.083 Uiso 1 1 calc R . .
H10I H 0.2991 0.5799 0.2821 0.083 Uiso 1 1 calc R . .
C103 C 0.2750(3) 0.6069(5) 0.2378(3) 0.045(2) Uani 1 1 d U . .
C104 C 0.3956(3) 0.7266(5) 0.2213(3) 0.047(3) Uani 1 1 d U . .
H10J H 0.4078 0.7624 0.2294 0.071 Uiso 1 1 calc R . .
H10K H 0.4046 0.7093 0.2074 0.071 Uiso 1 1 calc R . .
H10L H 0.3987 0.6998 0.2378 0.071 Uiso 1 1 calc R . .
C105 C 0.3578(3) 0.7395(4) 0.2045(2) 0.040(2) Uani 1 1 d U . .
C106 C 0.2848(4) 0.7690(7) 0.2663(3) 0.080(4) Uani 1 1 d U . .
H10M H 0.2979 0.7902 0.2847 0.119 Uiso 1 1 calc R . .
H10N H 0.2901 0.7280 0.2695 0.119 Uiso 1 1 calc R . .
H10O H 0.2604 0.7748 0.2612 0.119 Uiso 1 1 calc R . .
C107 C 0.2939(3) 0.7907(5) 0.2406(2) 0.042(2) Uani 1 1 d U . .
C108 C 0.4557(2) 0.8528(5) 0.2205(2) 0.041(2) Uani 1 1 d U . .
H10P H 0.4398 0.8464 0.1997 0.061 Uiso 1 1 calc R . .
H10Q H 0.4676 0.8169 0.2288 0.061 Uiso 1 1 calc R . .
H10R H 0.4722 0.8824 0.2210 0.061 Uiso 1 1 calc R . .
C109 C 0.4358(2) 0.8726(4) 0.2395(2) 0.032(2) Uani 1 1 d U . .
C110 C 0.3461(3) 0.8938(7) 0.3215(3) 0.067(4) Uani 1 1 d U . .
H11C H 0.3463 0.9092 0.3027 0.101 Uiso 1 1 calc R . .
H11D H 0.3263 0.9088 0.3247 0.101 Uiso 1 1 calc R . .
H11E H 0.3448 0.8517 0.3203 0.101 Uiso 1 1 calc R . .
C111 C 0.3788(3) 0.9118(6) 0.3479(3) 0.058(3) Uani 1 1 d U . .
C112 C 0.4918(3) 0.7823(5) 0.3256(3) 0.055(3) Uani 1 1 d U . .
H11F H 0.5049 0.7477 0.3344 0.083 Uiso 1 1 calc R . .
H11G H 0.5004 0.7997 0.3115 0.083 Uiso 1 1 calc R . .
H11H H 0.4678 0.7722 0.3150 0.083 Uiso 1 1 calc R . .
C113 C 0.4952(3) 0.8247(4) 0.3503(2) 0.039(2) Uani 1 1 d U . .
C114 C 0.4309(4) 0.7988(7) 0.4263(4) 0.086(5) Uani 1 1 d U . .
H11I H 0.4171 0.8338 0.4225 0.129 Uiso 1 1 calc R . .
H11J H 0.4380 0.7880 0.4475 0.129 Uiso 1 1 calc R . .
H11K H 0.4175 0.7676 0.4136 0.129 Uiso 1 1 calc R . .
C115 C 0.4627(3) 0.8100(5) 0.4192(3) 0.057(3) Uani 1 1 d U . .
C116 C 0.5726(3) 0.6843(5) 0.3422(2) 0.046(2) Uani 1 1 d U . .
H11L H 0.5708 0.6511 0.3292 0.069 Uiso 1 1 calc R . .
H11M H 0.5966 0.6929 0.3539 0.069 Uiso 1 1 calc R . .
H11N H 0.5617 0.7176 0.3298 0.069 Uiso 1 1 calc R . .
C117 C 0.5548(2) 0.6708(4) 0.3635(2) 0.033(2) Uani 1 1 d U . .
C118 C 0.4282(6) 0.7290(10) 0.3579(5) 0.130(7) Uani 1 1 d U . .
H11O H 0.4074 0.7123 0.3430 0.196 Uiso 1 1 calc R . .
H11P H 0.4340 0.7641 0.3497 0.196 Uiso 1 1 calc R . .
H11Q H 0.4247 0.7382 0.3762 0.196 Uiso 1 1 calc R . .
C119 C 0.4605(4) 0.6809(6) 0.3661(3) 0.069(4) Uani 1 1 d U . .
C120 C 0.4579(3) 0.6241(5) 0.4370(3) 0.058(3) Uani 1 1 d U . .
H12C H 0.4818 0.6305 0.4500 0.086 Uiso 1 1 calc R . .
H12D H 0.4437 0.6310 0.4484 0.086 Uiso 1 1 calc R . .
H12E H 0.4513 0.6504 0.4198 0.086 Uiso 1 1 calc R . .
C121 C 0.4533(3) 0.5625(5) 0.4257(3) 0.052(3) Uani 1 1 d U . .
C122 C 0.3639(4) 0.5268(7) 0.3488(3) 0.077(4) Uani 1 1 d U . .
H12F H 0.3430 0.5431 0.3338 0.116 Uiso 1 1 calc R . .
H12G H 0.3780 0.5578 0.3612 0.116 Uiso 1 1 calc R . .
H12H H 0.3579 0.5000 0.3617 0.116 Uiso 1 1 calc R . .
C123 C 0.3840(3) 0.4942(5) 0.3327(2) 0.048(3) Uani 1 1 d U . .
C124 C 0.4677(3) 0.5892(5) 0.3018(2) 0.049(3) Uani 1 1 d U . .
H12I H 0.4518 0.5907 0.2807 0.074 Uiso 1 1 calc R . .
H12J H 0.4910 0.5915 0.3029 0.074 Uiso 1 1 calc R . .
H12K H 0.4633 0.6216 0.3127 0.074 Uiso 1 1 calc R . .
C125 C 0.4629(3) 0.5324(5) 0.3160(2) 0.039(2) Uani 1 1 d U . .
O45 O 0.5647(7) 1.1290(12) 0.4934(6) 0.112(8) Uani 0.50 1 d PU . .
H45D H 0.5823 1.1484 0.4973 0.167 Uiso 0.50 1 d P . .
O46 O 0.3637(3) 1.1932(4) 0.3701(2) 0.078(3) Uani 1 1 d DU . .
H46A H 0.3453 1.1935 0.3551 0.118 Uiso 1 1 calc R . .
O47 O 0.3867(5) 0.5698(9) 0.4548(5) 0.082(6) Uani 0.50 1 d PDU . .
H47D H 0.3926 0.5930 0.4755 0.099 Uiso 0.50 1 d P . .
O48 O 0.2424(4) 0.6579(8) 0.2948(4) 0.071(5) Uani 0.50 1 d PDU . .
H48B H 0.2414 0.6409 0.2792 0.107 Uiso 0.50 1 calc PR . .
O49 O 0.1766(4) 0.4565(7) 0.1099(3) 0.054(4) Uani 0.50 1 d PDU . .
H49C H 0.1617 0.4444 0.1157 0.065 Uiso 0.50 1 calc PR . .
O50 O 0.4636(9) 0.188(3) 0.2111(14) 0.27(3) Uani 0.50 1 d PDU . .
H50A H 0.4519 0.1904 0.2222 0.403 Uiso 0.50 1 d P . .
O51 O 0.3886(16) 0.713(2) 0.4715(13) 0.13(2) Uani 0.25 1 d PDU . .
H51 H 0.4041 0.7317 0.4845 0.199 Uiso 0.25 1 calc PR . .
O52 O 0.417(2) 0.214(4) 0.1677(19) 0.20(3) Uani 0.25 1 d PDU . .
H52B H 0.4244 0.1863 0.1797 0.294 Uiso 0.25 1 calc PR . .
O53 O 0.3007(11) 0.836(2) 0.0199(11) 0.106(15) Uani 0.25 1 d PDU . .
H53C H 0.2983 0.8714 0.0209 0.159 Uiso 0.25 1 calc PR . .
O54 O 0.3180(13) 1.037(2) 0.1036(12) 0.122(18) Uani 0.25 1 d PDU . .
H54C H 0.3230 1.0548 0.0908 0.182 Uiso 0.25 1 calc PR . .
O55 O 0.1939(11) 1.1611(15) 0.1541(9) 0.177(14) Uani 0.50 1 d PDU . .
H55C H 0.1808 1.1352 0.1540 0.265 Uiso 0.50 1 d P . .
O56 O 0.1754(10) 0.8473(17) 0.0464(8) 0.170(13) Uani 0.50 1 d PU . .
O57 O 0.6409(17) 1.023(3) 0.4894(15) 0.14(2) Uani 0.25 1 d PU . .
O58 O 0.2873(19) 0.333(3) 0.1208(17) 0.17(3) Uani 0.25 1 d PU . .
O59 O 0.6474(19) 1.404(3) 0.4692(16) 0.16(2) Uani 0.25 1 d PU . .
O60 O 0.6152(18) 1.193(3) 0.4269(15) 0.15(2) Uani 0.25 1 d PU . .
O61 O 0.628(2) 1.075(4) 0.4833(18) 0.17(3) Uani 0.25 1 d PU . .
C126 C 0.5067(8) 1.1336(12) 0.4753(6) 0.069(7) Uani 0.50 1 d PU . .
H12Q H 0.4873 1.1598 0.4678 0.104 Uiso 0.50 1 calc PR . .
H12R H 0.5070 1.1139 0.4934 0.104 Uiso 0.50 1 calc PR . .
H12S H 0.5049 1.1051 0.4598 0.104 Uiso 0.50 1 calc PR . .
C127 C 0.5364(8) 1.1644(14) 0.4823(7) 0.080(8) Uani 0.50 1 d PU . .
H12T H 0.5379 1.1939 0.4976 0.096 Uiso 0.50 1 calc PR . .
H12U H 0.5360 1.1844 0.4641 0.096 Uiso 0.50 1 calc PR . .
C128 C 0.3962(3) 1.2323(6) 0.4215(3) 0.067(3) Uani 1 1 d DU . .
H12N H 0.3960 1.2581 0.4375 0.101 Uiso 1 1 calc R . .
H12O H 0.4143 1.2440 0.4150 0.101 Uiso 1 1 calc R . .
H12P H 0.4003 1.1928 0.4291 0.101 Uiso 1 1 calc R . .
C129 C 0.3613(3) 1.2356(6) 0.3943(3) 0.072(4) Uani 1 1 d DU . .
H12L H 0.3570 1.2752 0.3863 0.086 Uiso 1 1 calc R . .
H12M H 0.3427 1.2241 0.4006 0.086 Uiso 1 1 calc R . .
C130 C 0.3320(19) 0.518(6) 0.4491(14) 0.57(11) Uani 0.50 1 d PDU . .
H13R H 0.3132 0.4943 0.4355 0.861 Uiso 0.50 1 calc PR . .
H13S H 0.3230 0.5480 0.4579 0.861 Uiso 0.50 1 calc PR . .
H13T H 0.3474 0.4931 0.4652 0.861 Uiso 0.50 1 calc PR . .
C131 C 0.3521(7) 0.5453(16) 0.4311(6) 0.096(10) Uani 0.50 1 d PDU . .
H13U H 0.3567 0.5160 0.4183 0.115 Uiso 0.50 1 calc PR . .
H13V H 0.3386 0.5766 0.4180 0.115 Uiso 0.50 1 calc PR . .
C132 C 0.2103(13) 0.719(2) 0.3185(8) 0.149(18) Uani 0.50 1 d PDU . .
H13M H 0.1894 0.7408 0.3149 0.224 Uiso 0.50 1 calc PR . .
H13N H 0.2299 0.7450 0.3269 0.224 Uiso 0.50 1 calc PR . .
H13O H 0.2124 0.6880 0.3328 0.224 Uiso 0.50 1 calc PR . .
C133 C 0.2090(6) 0.6933(12) 0.2880(6) 0.067(7) Uani 0.50 1 d PDU . .
H13P H 0.1890 0.6680 0.2790 0.081 Uiso 0.50 1 calc PR . .
H13Q H 0.2073 0.7245 0.2735 0.081 Uiso 0.50 1 calc PR . .
C134 C 0.1665(13) 0.3707(11) 0.0754(8) 0.150(18) Uani 0.50 1 d PDU . .
H13C H 0.1608 0.3606 0.0543 0.226 Uiso 0.50 1 calc PR . .
H13D H 0.1490 0.3556 0.0818 0.226 Uiso 0.50 1 calc PR . .
H13E H 0.1886 0.3540 0.0878 0.226 Uiso 0.50 1 calc PR . .
C135 C 0.1684(7) 0.4387(10) 0.0789(6) 0.065(7) Uani 0.50 1 d PDU . .
H13F H 0.1858 0.4538 0.0721 0.078 Uiso 0.50 1 calc PR . .
H13G H 0.1462 0.4554 0.0659 0.078 Uiso 0.50 1 calc PR . .
C136 C 0.5281(8) 0.1788(18) 0.2311(10) 0.125(14) Uani 0.50 1 d PDU . .
H13H H 0.5448 0.1799 0.2519 0.187 Uiso 0.50 1 calc PR . .
H13I H 0.5312 0.2122 0.2202 0.187 Uiso 0.50 1 calc PR . .
H13J H 0.5311 0.1435 0.2214 0.187 Uiso 0.50 1 calc PR . .
C137 C 0.4911(9) 0.1801(17) 0.2311(8) 0.104(11) Uani 0.50 1 d PDU . .
H13K H 0.4970 0.1471 0.2448 0.125 Uiso 0.50 1 d PR . .
H13L H 0.4980 0.2156 0.2428 0.125 Uiso 0.50 1 d PR . .
C138 C 0.3864(16) 0.651(2) 0.4842(13) 0.078(16) Uani 0.25 1 d PDU . .
H13W H 0.3827 0.6550 0.5030 0.093 Uiso 0.25 1 calc PR . .
H13X H 0.4077 0.6304 0.4882 0.093 Uiso 0.25 1 calc PR . .
H138 H 0.3675 0.6299 0.4695 0.093 Uiso 0.25 1 calc PR . .
C139 C 0.377(2) 0.217(6) 0.156(3) 0.19(5) Uani 0.25 1 d PDU . .
H13Y H 0.3710 0.2468 0.1671 0.234 Uiso 0.25 1 calc PR . .
H13Z H 0.3684 0.1799 0.1589 0.234 Uiso 0.25 1 calc PR . .
H139 H 0.3680 0.2267 0.1345 0.234 Uiso 0.25 1 calc PR . .
C140 C 0.1955(14) 1.2644(16) 0.1373(13) 0.18(2) Uani 0.50 1 d PDU . .
H14C H 0.1793 1.2951 0.1274 0.265 Uiso 0.50 1 calc PR . .
H14D H 0.2088 1.2551 0.1254 0.265 Uiso 0.50 1 calc PR . .
H14E H 0.2107 1.2772 0.1573 0.265 Uiso 0.50 1 calc PR . .
C141 C 0.1755(12) 1.209(2) 0.1403(12) 0.144(17) Uani 0.50 1 d PDU . .
H14F H 0.1613 1.2204 0.1515 0.173 Uiso 0.50 1 calc PR . .
H14G H 0.1598 1.1980 0.1198 0.173 Uiso 0.50 1 calc PR . .
C142 C 0.2650(12) 0.806(2) 0.0100(13) 0.18(2) Uani 0.50 1 d PDU . .
H14H H 0.2500 0.8287 0.0166 0.217 Uiso 0.50 1 calc PR . .
H14I H 0.2679 0.7674 0.0192 0.217 Uiso 0.50 1 calc PR . .
H142 H 0.2550 0.8017 -0.0119 0.217 Uiso 0.50 1 calc PR . .
C143 C 0.2842(14) 1.001(3) 0.0871(14) 0.087(18) Uani 0.25 1 d PDU . .
H14J H 0.2672 1.0131 0.0949 0.105 Uiso 0.25 1 calc PR . .
H14K H 0.2889 0.9603 0.0907 0.105 Uiso 0.25 1 calc PR . .
H143 H 0.2756 1.0091 0.0655 0.105 Uiso 0.25 1 calc PR . .


_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
Lu1 O27 2.212(6) . ?
Lu1 O10 2.240(6) . ?
Lu1 O11 2.248(6) . ?
Lu1 O26 2.282(7) . ?
Lu1 O24 2.349(6) . ?
Lu1 N6 2.486(8) . ?
Lu1 O9 2.550(6) . ?
Lu1 Cl2 2.876(5) . ?
Lu1 Cd9 3.6207(13) . ?
Lu2 O19 2.205(6) . ?
Lu2 O2 2.239(7) . ?
Lu2 O14 2.258(6) . ?
Lu2 O42 2.295(7) . ?
Lu2 O44 2.347(6) . ?
Lu2 N1 2.504(9) . ?
Lu2 O13 2.534(7) . ?
Lu2 Cl1 2.638(6) . ?
Lu2 Cd3 3.6306(15) . ?
Lu3 O35 2.221(7) . ?
Lu3 O15 2.231(7) . ?
Lu3 O3 2.247(7) . ?
Lu3 O34 2.306(7) . ?
Lu3 O37 2.355(10) . ?
Lu3 O32 2.362(7) . ?
Lu3 N8 2.487(8) . ?
Lu3 O4 2.569(7) . ?
Lu3 Cd6 3.6267(11) . ?
Cd1 O6 2.250(6) . ?
Cd1 O22 2.267(7) . ?
Cd1 O25 2.294(6) . ?
Cd1 O5 2.419(7) . ?
Cd1 O21 2.439(8) . ?
Cd1 Cl5 2.451(3) . ?
Cd1 C103 2.714(11) . ?
Cd2 N7 2.278(8) . ?
Cd2 O14 2.303(6) . ?
Cd2 O20 2.307(6) . ?
Cd2 O23 2.383(7) . ?
Cd2 O21 2.478(8) . ?
Cd2 Cl1 2.606(4) . ?
Cd3 O18 2.250(7) . ?
Cd3 O41 2.268(7) . ?
Cd3 N9 2.275(10) . ?
Cd3 O44 2.296(6) . ?
Cd3 O2 2.320(6) . ?
Cd3 O1 2.506(7) . ?
Cd4 O18 2.246(8) . ?
Cd4 O40 2.269(8) . ?
Cd4 O41 2.307(7) . ?
Cd4 Cl4 2.443(3) . ?
Cd4 O17 2.446(8) . ?
Cd4 O39 2.455(8) . ?
Cd4 C121 2.724(12) . ?
Cd5 N2 2.284(8) . ?
Cd5 O36 2.318(6) . ?
Cd5 O3 2.324(6) . ?
Cd5 O38 2.361(10) . ?
Cd5 O43 2.368(7) . ?
Cd5 O39 2.466(8) . ?
Cd5 O37 2.523(8) . ?
Cd5 C119 2.737(13) . ?
Cd6 O7 2.231(6) . ?
Cd6 N4 2.258(10) . ?
Cd6 O32 2.279(7) . ?
Cd6 O33 2.283(7) . ?
Cd6 O15 2.314(7) . ?
Cd6 O16 2.497(7) . ?
Cd7 O29 2.240(8) . ?
Cd7 O7 2.246(7) . ?
Cd7 O33 2.273(7) . ?
Cd7 O8 2.379(10) . ?
Cd7 Cl3 2.470(3) . ?
Cd7 O30 2.500(8) . ?
Cd7 C111 2.725(12) . ?
Cd8 N5 2.290(8) . ?
Cd8 O10 2.300(6) . ?
Cd8 O28 2.329(7) . ?
Cd8 O31 2.333(6) . ?
Cd8 O30 2.459(8) . ?
Cd8 Cl2 2.546(4) . ?
Cd9 O6 2.246(6) . ?
Cd9 N3 2.255(9) . ?
Cd9 O25 2.265(6) . ?
Cd9 O24 2.283(7) . ?
Cd9 O11 2.330(6) . ?
Cd9 O12 2.493(7) . ?
N1 C8 1.280(14) . ?
N1 C9 1.492(13) . ?
N2 C15 1.281(13) . ?
N2 C14 1.476(13) . ?
N3 C30 1.297(12) . ?
N3 C31 1.467(13) . ?
N4 C37 1.309(13) . ?
N4 C36 1.469(14) . ?
N5 C52 1.270(10) . ?
N5 C53 1.473(10) . ?
N6 C59 1.273(10) . ?
N6 C58 1.481(9) . ?
N7 C74 1.311(9) . ?
N7 C75 1.457(9) . ?
N8 C81 1.262(10) . ?
N8 C80 1.498(10) . ?
N9 C96 1.274(13) . ?
N9 C97 1.481(14) . ?
O1 C2 1.372(13) . ?
O1 C1 1.435(12) . ?
O2 C7 1.331(12) . ?
O3 C21 1.325(9) . ?
O4 C20 1.386(13) . ?
O4 C22 1.445(11) . ?
O5 C24 1.391(11) . ?
O5 C23 1.420(11) . ?
O6 C29 1.285(9) . ?
O7 C43 1.299(12) . ?
O8 C42 1.389(15) . ?
O8 C44 1.443(15) . ?
O9 C46 1.392(10) . ?
O9 C45 1.445(10) . ?
O10 C51 1.335(9) . ?
O11 C65 1.349(10) . ?
O12 C64 1.370(11) . ?
O12 C66 1.430(10) . ?
O13 C68 1.393(9) . ?
O13 C67 1.440(11) . ?
O14 C73 1.320(9) . ?
O15 C87 1.332(10) . ?
O16 C86 1.362(10) . ?
O16 C88 1.439(10) . ?
O17 C90 1.359(14) . ?
O17 C89 1.426(12) . ?
O18 C95 1.303(11) . ?
O19 C101 1.264(9) . ?
O20 C101 1.243(9) . ?
O21 C103 1.237(11) . ?
O22 C103 1.269(11) . ?
O23 C105 1.250(10) . ?
O24 C105 1.268(10) . ?
O25 C107 1.274(10) . ?
O26 C107 1.233(10) . ?
O27 C109 1.258(9) . ?
O28 C109 1.253(9) . ?
O29 C111 1.253(12) . ?
O30 C111 1.273(12) . ?
O31 C113 1.253(10) . ?
O32 C113 1.264(10) . ?
O33 C115 1.265(13) . ?
O34 C115 1.240(12) . ?
O35 C117 1.257(9) . ?
O36 C117 1.252(9) . ?
O37 C119 0.954(15) . ?
O38 C119 1.325(13) . ?
O39 C121 1.267(12) . ?
O40 C121 1.255(12) . ?
O41 C123 1.261(11) . ?
O42 C123 1.237(11) . ?
O43 C125 1.259(9) . ?
O44 C125 1.272(10) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.365(17) . ?
C2 C7 1.422(15) . ?
C3 C4 1.389(19) . ?
C3 H3A 0.9300 . ?
C4 C5 1.333(19) . ?
C4 H4A 0.9300 . ?
C5 C6 1.460(17) . ?
C5 H5A 0.9300 . ?
C6 C7 1.381(15) . ?
C6 C8 1.451(15) . ?
C8 H8A 0.9300 . ?
C9 C10 1.497(14) 2_655 ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C11 1.497(14) . ?
C10 C9 1.497(14) 2_655 ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.532(15) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C13 1.514(14) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.515(14) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.461(14) . ?
C15 H15A 0.9300 . ?
C16 C21 1.389(10) . ?
C16 C17 1.410(14) . ?
C17 C18 1.391(16) . ?
C17 H17A 0.9300 . ?
C18 C19 1.359(17) . ?
C18 H18A 0.9300 . ?
C19 C20 1.382(15) . ?
C19 H19A 0.9300 . ?
C20 C21 1.420(11) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 C25 1.349(14) . ?
C24 C29 1.455(14) . ?
C25 C26 1.368(17) . ?
C25 H25A 0.9300 . ?
C26 C27 1.369(17) . ?
C26 H26A 0.9300 . ?
C27 C28 1.438(15) . ?
C27 H27A 0.9300 . ?
C28 C29 1.410(14) . ?
C28 C30 1.425(16) . ?
C30 H30A 0.9300 . ?
C31 C32 1.51(2) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 C33 1.59(3) . ?
C32 C33' 1.66(3) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C33 C34 1.12(3) 2_655 ?
C33 H33A 0.9599 . ?
C33 H33B 0.9600 . ?
C34 C33 1.12(3) 2_655 ?
C34 C35 1.58(2) . ?
C34 H34A 0.9598 . ?
C34 H34B 0.9599 . ?
C99 C99 1.04(5) 2_655 ?
C99 C98 1.66(3) . ?
C99 H99A 0.9700 . ?
C99 H99C 0.9700 . ?
C99' C99' 1.03(5) 2_655 ?
C99' C98 1.58(3) . ?
C99' H99D 0.9700 . ?
C99' H99E 0.9700 . ?
C33' C34' 1.01(3) 2_655 ?
C33' H33B 1.2136 . ?
C33' H33D 0.9700 . ?
C33' H33F 0.9700 . ?
C34' C33' 1.01(3) 2_655 ?
C34' C35 1.69(3) . ?
C34' H34B 1.1856 . ?
C34' H34D 0.9700 . ?
C34' H34F 0.9700 . ?
C35 C36 1.46(2) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C37 C38 1.438(17) . ?
C37 H37A 0.9300 . ?
C38 C43 1.393(17) . ?
C38 C39 1.431(19) . ?
C39 C40 1.40(2) . ?
C39 H39A 0.9300 . ?
C40 C41 1.37(2) . ?
C40 H40A 0.9300 . ?
C41 C42 1.353(19) . ?
C41 H41A 0.9300 . ?
C42 C43 1.438(15) . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C46 C47 1.363(14) . ?
C46 C51 1.408(13) . ?
C47 C48 1.407(15) . ?
C47 H47A 0.9300 . ?
C48 C49 1.353(14) . ?
C48 H48A 0.9300 . ?
C49 C50 1.420(13) . ?
C49 H49A 0.9300 . ?
C50 C51 1.414(14) . ?
C50 C52 1.437(14) . ?
C52 H52A 0.9300 . ?
C53 C54 1.522(14) . ?
C53 H53A 0.9700 . ?
C53 H53B 0.9700 . ?
C54 C55 1.514(13) . ?
C54 H54A 0.9700 . ?
C54 H54B 0.9700 . ?
C55 C56 1.524(14) . ?
C55 H55A 0.9700 . ?
C55 H55B 0.9700 . ?
C56 C57 1.526(13) . ?
C56 H56A 0.9700 . ?
C56 H56B 0.9700 . ?
C57 C58 1.525(14) 2_655 ?
C57 H57B 0.9700 . ?
C57 H57C 0.9700 . ?
C58 C57 1.525(14) 2_655 ?
C58 H58A 0.9700 . ?
C58 H58B 0.9700 . ?
C59 C60 1.468(15) . ?
C59 H59A 0.9300 . ?
C60 C65 1.391(14) . ?
C60 C61 1.408(16) . ?
C61 C62 1.394(17) . ?
C61 H61A 0.9300 . ?
C62 C63 1.387(17) . ?
C62 H62A 0.9300 . ?
C63 C64 1.379(15) . ?
C63 H63A 0.9300 . ?
C64 C65 1.426(14) . ?
C66 H66A 0.9600 . ?
C66 H66B 0.9600 . ?
C66 H66C 0.9600 . ?
C67 H67A 0.9600 . ?
C67 H67B 0.9600 . ?
C67 H67C 0.9600 . ?
C68 C69 1.365(13) . ?
C68 C73 1.404(13) . ?
C69 C70 1.385(15) . ?
C69 H69A 0.9300 . ?
C70 C71 1.383(15) . ?
C70 H70A 0.9300 . ?
C71 C72 1.405(13) . ?
C71 H71A 0.9300 . ?
C72 C73 1.422(13) . ?
C72 C74 1.423(13) . ?
C74 H74A 0.9300 . ?
C75 C76 1.503(13) . ?
C75 H75A 0.9700 . ?
C75 H75B 0.9700 . ?
C76 C77 1.507(13) . ?
C76 H76A 0.9700 . ?
C76 H76B 0.9700 . ?
C77 C78 1.524(14) . ?
C77 H77A 0.9700 . ?
C77 H77B 0.9700 . ?
C78 C79 1.548(13) 2_655 ?
C78 H78A 0.9700 . ?
C78 H78B 0.9700 . ?
C79 C80 1.513(14) . ?
C79 C78 1.548(13) 2_655 ?
C79 H79A 0.9700 . ?
C79 H79B 0.9700 . ?
C80 H80A 0.9700 . ?
C80 H80B 0.9700 . ?
C81 C82 1.464(13) . ?
C81 H81A 0.9300 . ?
C82 C83 1.408(15) . ?
C82 C87 1.427(14) . ?
C83 C84 1.378(16) . ?
C83 H83A 0.9300 . ?
C84 C85 1.379(15) . ?
C84 H84A 0.9300 . ?
C85 C86 1.386(14) . ?
C85 H85A 0.9300 . ?
C86 C87 1.420(14) . ?
C88 H88A 0.9600 . ?
C88 H88B 0.9600 . ?
C88 H88C 0.9600 . ?
C89 H89A 0.9600 . ?
C89 H89B 0.9600 . ?
C89 H89C 0.9600 . ?
C90 C91 1.379(18) . ?
C90 C95 1.463(16) . ?
C91 C92 1.37(2) . ?
C91 H91A 0.9300 . ?
C92 C93 1.37(2) . ?
C92 H92A 0.9300 . ?
C93 C94 1.399(18) . ?
C93 H93A 0.9300 . ?
C94 C95 1.366(18) . ?
C94 C96 1.439(18) . ?
C96 H96A 0.9300 . ?
C97 C98 1.47(2) . ?
C97 H97A 0.9700 . ?
C97 H97B 0.9700 . ?
C98 H98A 0.9700 . ?
C98 H98B 0.9700 . ?
C100 C101 1.546(13) . ?
C100 H10D 0.9600 . ?
C100 H10E 0.9600 . ?
C100 H10F 0.9600 . ?
C102 C103 1.503(15) . ?
C102 H10G 0.9600 . ?
C102 H10H 0.9600 . ?
C102 H10I 0.9600 . ?
C104 C105 1.500(14) . ?
C104 H10J 0.9600 . ?
C104 H10K 0.9600 . ?
C104 H10L 0.9600 . ?
C106 C107 1.494(16) . ?
C106 H10M 0.9600 . ?
C106 H10N 0.9600 . ?
C106 H10O 0.9600 . ?
C108 C109 1.514(13) . ?
C108 H10P 0.9600 . ?
C108 H10Q 0.9600 . ?
C108 H10R 0.9600 . ?
C110 C111 1.508(16) . ?
C110 H11C 0.9600 . ?
C110 H11D 0.9600 . ?
C110 H11E 0.9600 . ?
C112 C113 1.478(14) . ?
C112 H11F 0.9600 . ?
C112 H11G 0.9600 . ?
C112 H11H 0.9600 . ?
C114 C115 1.517(18) . ?
C114 H11I 0.9600 . ?
C114 H11J 0.9600 . ?
C114 H11K 0.9600 . ?
C116 C117 1.501(14) . ?
C116 H11L 0.9600 . ?
C116 H11M 0.9600 . ?
C116 H11N 0.9600 . ?
C118 C119 1.66(2) . ?
C118 H11O 0.9600 . ?
C118 H11P 0.9600 . ?
C118 H11Q 0.9600 . ?
C120 C121 1.487(16) . ?
C120 H12C 0.9600 . ?
C120 H12D 0.9600 . ?
C120 H12E 0.9600 . ?
C122 C123 1.534(17) . ?
C122 H12F 0.9600 . ?
C122 H12G 0.9600 . ?
C122 H12H 0.9600 . ?
C124 C125 1.509(14) . ?
C124 H12I 0.9600 . ?
C124 H12J 0.9600 . ?
C124 H12K 0.9600 . ?
O45 C127 1.36(4) . ?
O45 H45D 0.8144 . ?
O46 C129 1.533(9) . ?
O46 H46A 0.8200 . ?
O47 C131 1.550(11) . ?
O47 H47D 1.0543 . ?
O48 C133 1.536(10) . ?
O48 H48B 0.8200 . ?
O49 C135 1.43(3) . ?
O49 H49C 0.8200 . ?
O50 C137 1.18(4) . ?
O50 H50A 0.8491 . ?
O51 C138 1.548(10) . ?
O51 H51 0.8200 . ?
O52 C139 1.548(10) . ?
O52 H52B 0.8200 . ?
O53 C142 1.544(10) . ?
O53 H53C 0.8200 . ?
O54 C143 1.551(10) . ?
O54 H54C 0.8200 . ?
O55 C141 1.36(5) . ?
O55 H55C 0.8042 . ?
O57 O61 1.29(9) . ?
C126 C127 1.35(4) . ?
C126 H12Q 0.9600 . ?
C126 H12R 0.9600 . ?
C126 H12S 0.9600 . ?
C127 H12T 0.9700 . ?
C127 H12U 0.9700 . ?
C128 C129 1.526(9) . ?
C128 H12N 0.9600 . ?
C128 H12O 0.9600 . ?
C128 H12P 0.9600 . ?
C129 H12L 0.9700 . ?
C129 H12M 0.9700 . ?
C130 C131 1.547(18) . ?
C130 H13R 0.9600 . ?
C130 H13S 0.9600 . ?
C130 H13T 0.9600 . ?
C131 H13U 0.9700 . ?
C131 H13V 0.9700 . ?
C132 C133 1.545(10) . ?
C132 H13M 0.9600 . ?
C132 H13N 0.9600 . ?
C132 H13O 0.9600 . ?
C133 H13P 0.9700 . ?
C133 H13Q 0.9700 . ?
C134 C135 1.558(10) . ?
C134 H13C 0.9600 . ?
C134 H13D 0.9600 . ?
C134 H13E 0.9600 . ?
C135 H13F 0.9700 . ?
C135 H13G 0.9700 . ?
C136 C137 1.548(10) . ?
C136 H13H 0.9600 . ?
C136 H13I 0.9600 . ?
C136 H13J 0.9600 . ?
C137 C137 1.65(7) 2_655 ?
C137 H50A 1.5469 . ?
C137 H13K 0.9597 . ?
C137 H13L 0.9604 . ?
C138 H47D 1.4421 . ?
C138 H13W 0.9600 . ?
C138 H13X 0.9600 . ?
C138 H138 0.9600 . ?
C139 H13Y 0.9600 . ?
C139 H13Z 0.9600 . ?
C139 H139 0.9600 . ?
C140 C141 1.548(10) . ?
C140 H14C 0.9600 . ?
C140 H14D 0.9600 . ?
C140 H14E 0.9600 . ?
C141 H14F 0.9700 . ?
C141 H14G 0.9700 . ?
C142 H14H 0.9600 . ?
C142 H14I 0.9600 . ?
C142 H142 0.9600 . ?
C143 H14J 0.9600 . ?
C143 H14K 0.9600 . ?
C143 H143 0.9600 . ?

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
O27 Lu1 O10 86.4(2) . . ?
O27 Lu1 O11 114.1(2) . . ?
O10 Lu1 O11 135.7(2) . . ?
O27 Lu1 O26 145.6(2) . . ?
O10 Lu1 O26 101.5(2) . . ?
O11 Lu1 O26 83.4(2) . . ?
O27 Lu1 O24 79.0(2) . . ?
O10 Lu1 O24 153.4(2) . . ?
O11 Lu1 O24 70.9(2) . . ?
O26 Lu1 O24 79.6(2) . . ?
O27 Lu1 N6 75.9(2) . . ?
O10 Lu1 N6 75.4(2) . . ?
O11 Lu1 N6 72.7(2) . . ?
O26 Lu1 N6 138.4(3) . . ?
O24 Lu1 N6 121.4(2) . . ?
O27 Lu1 O9 142.1(2) . . ?
O10 Lu1 O9 64.3(2) . . ?
O11 Lu1 O9 77.7(2) . . ?
O26 Lu1 O9 68.1(2) . . ?
O24 Lu1 O9 137.0(2) . . ?
N6 Lu1 O9 73.8(2) . . ?
O27 Lu1 Cl2 78.23(19) . . ?
O10 Lu1 Cl2 73.02(18) . . ?
O11 Lu1 Cl2 146.66(18) . . ?
O26 Lu1 Cl2 72.4(2) . . ?
O24 Lu1 Cl2 82.20(18) . . ?
N6 Lu1 Cl2 140.03(19) . . ?
O9 Lu1 Cl2 112.41(18) . . ?
O27 Lu1 Cd9 110.55(16) . . ?
O10 Lu1 Cd9 162.98(15) . . ?
O11 Lu1 Cd9 38.53(16) . . ?
O26 Lu1 Cd9 64.13(17) . . ?
O24 Lu1 Cd9 37.93(16) . . ?
N6 Lu1 Cd9 108.75(18) . . ?
O9 Lu1 Cd9 100.47(15) . . ?
Cl2 Lu1 Cd9 108.64(8) . . ?
O19 Lu2 O2 112.7(2) . . ?
O19 Lu2 O14 88.4(2) . . ?
O2 Lu2 O14 134.8(2) . . ?
O19 Lu2 O42 145.7(2) . . ?
O2 Lu2 O42 82.9(3) . . ?
O14 Lu2 O42 102.1(2) . . ?
O19 Lu2 O44 77.9(2) . . ?
O2 Lu2 O44 71.0(2) . . ?
O14 Lu2 O44 154.3(2) . . ?
O42 Lu2 O44 79.1(2) . . ?
O19 Lu2 N1 74.1(3) . . ?
O2 Lu2 N1 73.5(3) . . ?
O14 Lu2 N1 74.8(3) . . ?
O42 Lu2 N1 140.1(3) . . ?
O44 Lu2 N1 120.7(3) . . ?
O19 Lu2 O13 142.3(2) . . ?
O2 Lu2 O13 76.1(2) . . ?
O14 Lu2 O13 64.5(2) . . ?
O42 Lu2 O13 69.5(2) . . ?
O44 Lu2 O13 136.7(2) . . ?
N1 Lu2 O13 73.8(3) . . ?
O19 Lu2 Cl1 77.4(2) . . ?
O2 Lu2 Cl1 146.82(19) . . ?
O14 Lu2 Cl1 74.56(19) . . ?
O42 Lu2 Cl1 74.2(2) . . ?
O44 Lu2 Cl1 81.20(19) . . ?
N1 Lu2 Cl1 138.3(2) . . ?
O13 Lu2 Cl1 116.1(2) . . ?
O19 Lu2 Cd3 108.65(16) . . ?
O2 Lu2 Cd3 38.00(17) . . ?
O14 Lu2 Cd3 162.96(16) . . ?
O42 Lu2 Cd3 64.30(17) . . ?
O44 Lu2 Cd3 38.05(15) . . ?
N1 Lu2 Cd3 108.42(19) . . ?
O13 Lu2 Cd3 99.87(15) . . ?
Cl1 Lu2 Cd3 109.15(9) . . ?
O35 Lu3 O15 112.5(3) . . ?
O35 Lu3 O3 87.0(2) . . ?
O15 Lu3 O3 138.8(2) . . ?
O35 Lu3 O34 149.0(3) . . ?
O15 Lu3 O34 81.3(3) . . ?
O3 Lu3 O34 100.6(3) . . ?
O35 Lu3 O37 78.8(3) . . ?
O15 Lu3 O37 143.6(3) . . ?
O3 Lu3 O37 73.5(3) . . ?
O34 Lu3 O37 74.8(3) . . ?
O35 Lu3 O32 77.6(2) . . ?
O15 Lu3 O32 70.5(2) . . ?
O3 Lu3 O32 150.7(2) . . ?
O34 Lu3 O32 81.7(3) . . ?
O37 Lu3 O32 79.1(3) . . ?
O35 Lu3 N8 75.1(3) . . ?
O15 Lu3 N8 73.1(3) . . ?
O3 Lu3 N8 78.0(3) . . ?
O34 Lu3 N8 135.8(3) . . ?
O37 Lu3 N8 142.0(3) . . ?
O32 Lu3 N8 120.6(3) . . ?
O35 Lu3 O4 139.3(2) . . ?
O15 Lu3 O4 79.5(2) . . ?
O3 Lu3 O4 63.7(2) . . ?
O34 Lu3 O4 68.6(3) . . ?
O37 Lu3 O4 115.3(3) . . ?
O32 Lu3 O4 140.5(2) . . ?
N8 Lu3 O4 71.7(3) . . ?
O35 Lu3 Cd6 108.34(18) . . ?
O15 Lu3 Cd6 37.87(17) . . ?
O3 Lu3 Cd6 164.39(17) . . ?
O34 Lu3 Cd6 64.87(19) . . ?
O37 Lu3 Cd6 106.14(19) . . ?
O32 Lu3 Cd6 37.79(16) . . ?
N8 Lu3 Cd6 108.02(19) . . ?
O4 Lu3 Cd6 103.86(17) . . ?
O6 Cd1 O22 152.9(3) . . ?
O6 Cd1 O25 75.6(2) . . ?
O22 Cd1 O25 104.5(2) . . ?
O6 Cd1 O5 67.9(2) . . ?
O22 Cd1 O5 103.7(3) . . ?
O25 Cd1 O5 142.3(2) . . ?
O6 Cd1 O21 98.2(3) . . ?
O22 Cd1 O21 54.8(3) . . ?
O25 Cd1 O21 93.3(3) . . ?
O5 Cd1 O21 83.0(3) . . ?
O6 Cd1 Cl5 106.67(18) . . ?
O22 Cd1 Cl5 99.9(2) . . ?
O25 Cd1 Cl5 100.73(19) . . ?
O5 Cd1 Cl5 98.54(18) . . ?
O21 Cd1 Cl5 153.8(2) . . ?
O6 Cd1 C103 125.3(2) . . ?
O22 Cd1 C103 27.7(2) . . ?
O25 Cd1 C103 98.9(2) . . ?
O5 Cd1 C103 94.5(2) . . ?
O21 Cd1 C103 27.1(2) . . ?
Cl5 Cd1 C103 127.5(2) . . ?
N7 Cd2 O14 80.6(3) . . ?
N7 Cd2 O20 94.2(3) . . ?
O14 Cd2 O20 94.0(2) . . ?
N7 Cd2 O23 92.9(3) . . ?
O14 Cd2 O23 172.2(2) . . ?
O20 Cd2 O23 90.6(2) . . ?
N7 Cd2 O21 82.1(3) . . ?
O14 Cd2 O21 84.6(3) . . ?
O20 Cd2 O21 176.2(3) . . ?
O23 Cd2 O21 90.4(3) . . ?
N7 Cd2 Cl1 154.7(2) . . ?
O14 Cd2 Cl1 74.5(2) . . ?
O20 Cd2 Cl1 83.50(19) . . ?
O23 Cd2 Cl1 112.3(2) . . ?
O21 Cd2 Cl1 99.5(2) . . ?
O18 Cd3 O41 76.7(3) . . ?
O18 Cd3 N9 82.3(3) . . ?
O41 Cd3 N9 158.5(3) . . ?
O18 Cd3 O44 138.5(2) . . ?
O41 Cd3 O44 85.8(2) . . ?
N9 Cd3 O44 113.5(3) . . ?
O18 Cd3 O2 148.5(2) . . ?
O41 Cd3 O2 98.3(3) . . ?
N9 Cd3 O2 97.1(3) . . ?
O44 Cd3 O2 70.5(2) . . ?
O18 Cd3 O1 83.3(2) . . ?
O41 Cd3 O1 91.8(3) . . ?
N9 Cd3 O1 81.1(3) . . ?
O44 Cd3 O1 135.2(2) . . ?
O2 Cd3 O1 65.6(2) . . ?
O18 Cd3 Lu2 155.2(2) . . ?
O41 Cd3 Lu2 78.52(17) . . ?
N9 Cd3 Lu2 122.3(2) . . ?
O44 Cd3 Lu2 39.06(15) . . ?
O2 Cd3 Lu2 36.46(16) . . ?
O1 Cd3 Lu2 96.63(16) . . ?
O18 Cd4 O40 146.4(3) . . ?
O18 Cd4 O41 76.0(2) . . ?
O40 Cd4 O41 112.9(3) . . ?
O18 Cd4 Cl4 111.0(2) . . ?
O40 Cd4 Cl4 101.1(2) . . ?
O41 Cd4 Cl4 92.78(19) . . ?
O18 Cd4 O17 67.1(3) . . ?
O40 Cd4 O17 94.4(3) . . ?
O41 Cd4 O17 142.2(3) . . ?
Cl4 Cd4 O17 107.6(2) . . ?
O18 Cd4 O39 93.9(3) . . ?
O40 Cd4 O39 54.8(3) . . ?
O41 Cd4 O39 91.4(3) . . ?
Cl4 Cd4 O39 155.0(2) . . ?
O17 Cd4 O39 83.3(3) . . ?
O18 Cd4 C121 121.1(2) . . ?
O40 Cd4 C121 27.2(2) . . ?
O41 Cd4 C121 102.3(3) . . ?
Cl4 Cd4 C121 127.8(2) . . ?
O17 Cd4 C121 90.2(3) . . ?
O39 Cd4 C121 27.7(2) . . ?
N2 Cd5 O36 93.2(3) . . ?
N2 Cd5 O3 79.2(3) . . ?
O36 Cd5 O3 92.8(2) . . ?
N2 Cd5 O38 153.7(3) . . ?
O36 Cd5 O38 112.1(3) . . ?
O3 Cd5 O38 105.2(3) . . ?
N2 Cd5 O43 92.8(3) . . ?
O36 Cd5 O43 88.1(2) . . ?
O3 Cd5 O43 171.9(2) . . ?
O38 Cd5 O43 81.8(3) . . ?
N2 Cd5 O39 81.4(3) . . ?
O36 Cd5 O39 174.5(3) . . ?
O3 Cd5 O39 87.5(2) . . ?
O38 Cd5 O39 73.0(3) . . ?
O43 Cd5 O39 90.9(2) . . ?
N2 Cd5 O37 147.4(3) . . ?
O36 Cd5 O37 81.4(2) . . ?
O3 Cd5 O37 69.1(3) . . ?
O38 Cd5 O37 49.3(3) . . ?
O43 Cd5 O37 118.9(3) . . ?
O39 Cd5 O37 103.8(3) . . ?
N2 Cd5 C119 162.7(3) . . ?
O36 Cd5 C119 93.6(3) . . ?
O3 Cd5 C119 84.6(2) . . ?
O38 Cd5 C119 28.9(3) . . ?
O43 Cd5 C119 103.4(3) . . ?
O39 Cd5 C119 91.9(3) . . ?
O37 Cd5 C119 20.4(3) . . ?
O7 Cd6 N4 82.3(3) . . ?
O7 Cd6 O32 134.0(3) . . ?
N4 Cd6 O32 113.5(3) . . ?
O7 Cd6 O33 76.3(3) . . ?
N4 Cd6 O33 156.9(3) . . ?
O32 Cd6 O33 87.9(3) . . ?
O7 Cd6 O15 152.8(2) . . ?
N4 Cd6 O15 98.8(3) . . ?
O32 Cd6 O15 70.6(2) . . ?
O33 Cd6 O15 96.4(3) . . ?
O7 Cd6 O16 86.5(2) . . ?
N4 Cd6 O16 84.5(3) . . ?
O32 Cd6 O16 135.7(2) . . ?
O33 Cd6 O16 85.7(3) . . ?
O15 Cd6 O16 66.7(2) . . ?
O7 Cd6 Lu3 154.16(19) . . ?
N4 Cd6 Lu3 123.5(2) . . ?
O32 Cd6 Lu3 39.42(18) . . ?
O33 Cd6 Lu3 78.35(18) . . ?
O15 Cd6 Lu3 36.29(16) . . ?
O16 Cd6 Lu3 96.50(17) . . ?
O29 Cd7 O7 145.7(3) . . ?
O29 Cd7 O33 111.8(3) . . ?
O7 Cd7 O33 76.2(3) . . ?
O29 Cd7 O8 97.5(3) . . ?
O7 Cd7 O8 68.6(3) . . ?
O33 Cd7 O8 144.7(3) . . ?
O29 Cd7 Cl3 99.5(2) . . ?
O7 Cd7 Cl3 111.9(2) . . ?
O33 Cd7 Cl3 100.8(2) . . ?
O8 Cd7 Cl3 92.9(2) . . ?
O29 Cd7 O30 54.8(3) . . ?
O7 Cd7 O30 93.1(3) . . ?
O33 Cd7 O30 90.5(3) . . ?
O8 Cd7 O30 90.9(3) . . ?
Cl3 Cd7 O30 154.3(2) . . ?
O29 Cd7 C111 27.0(3) . . ?
O7 Cd7 C111 120.3(3) . . ?
O33 Cd7 C111 101.8(3) . . ?
O8 Cd7 C111 95.5(3) . . ?
Cl3 Cd7 C111 126.6(3) . . ?
O30 Cd7 C111 27.8(3) . . ?
N5 Cd8 O10 80.1(3) . . ?
N5 Cd8 O28 94.6(3) . . ?
O10 Cd8 O28 94.7(2) . . ?
N5 Cd8 O31 89.7(3) . . ?
O10 Cd8 O31 167.6(2) . . ?
O28 Cd8 O31 93.2(2) . . ?
N5 Cd8 O30 83.4(3) . . ?
O10 Cd8 O30 87.1(3) . . ?
O28 Cd8 O30 177.1(2) . . ?
O31 Cd8 O30 84.7(3) . . ?
N5 Cd8 Cl2 159.0(2) . . ?
O10 Cd8 Cl2 78.95(19) . . ?
O28 Cd8 Cl2 85.1(2) . . ?
O31 Cd8 Cl2 111.3(2) . . ?
O30 Cd8 Cl2 97.5(2) . . ?
O6 Cd9 N3 81.9(3) . . ?
O6 Cd9 O25 76.3(2) . . ?
N3 Cd9 O25 157.4(3) . . ?
O6 Cd9 O24 134.9(2) . . ?
N3 Cd9 O24 111.3(3) . . ?
O25 Cd9 O24 88.5(2) . . ?
O6 Cd9 O11 152.7(2) . . ?
N3 Cd9 O11 98.4(3) . . ?
O25 Cd9 O11 98.3(2) . . ?
O24 Cd9 O11 70.6(2) . . ?
O6 Cd9 O12 86.6(2) . . ?
N3 Cd9 O12 84.9(3) . . ?
O25 Cd9 O12 88.1(2) . . ?
O24 Cd9 O12 135.8(2) . . ?
O11 Cd9 O12 66.3(2) . . ?
O6 Cd9 Lu1 155.10(16) . . ?
N3 Cd9 Lu1 122.9(2) . . ?
O25 Cd9 Lu1 79.20(16) . . ?
O24 Cd9 Lu1 39.24(15) . . ?
O11 Cd9 Lu1 36.95(15) . . ?
O12 Cd9 Lu1 97.05(16) . . ?
Cd2 Cl1 Lu2 90.64(16) . . ?
Cd8 Cl2 Lu1 86.67(14) . . ?
C8 N1 C9 113.5(9) . . ?
C8 N1 Lu2 128.3(7) . . ?
C9 N1 Lu2 118.0(6) . . ?
C15 N2 C14 115.0(8) . . ?
C15 N2 Cd5 127.3(7) . . ?
C14 N2 Cd5 117.1(6) . . ?
C30 N3 C31 117.1(8) . . ?
C30 N3 Cd9 127.3(6) . . ?
C31 N3 Cd9 115.6(6) . . ?
C37 N4 C36 119.8(8) . . ?
C37 N4 Cd6 125.8(6) . . ?
C36 N4 Cd6 114.2(6) . . ?
C52 N5 C53 118.3(6) . . ?
C52 N5 Cd8 123.9(5) . . ?
C53 N5 Cd8 116.9(4) . . ?
C59 N6 C58 113.3(6) . . ?
C59 N6 Lu1 127.1(5) . . ?
C58 N6 Lu1 118.5(4) . . ?
C74 N7 C75 118.4(6) . . ?
C74 N7 Cd2 124.5(5) . . ?
C75 N7 Cd2 116.5(4) . . ?
C81 N8 C80 115.3(6) . . ?
C81 N8 Lu3 127.1(5) . . ?
C80 N8 Lu3 116.9(4) . . ?
C96 N9 C97 119.9(9) . . ?
C96 N9 Cd3 125.8(6) . . ?
C97 N9 Cd3 114.3(6) . . ?
C2 O1 C1 115.9(8) . . ?
C2 O1 Cd3 112.0(6) . . ?
C1 O1 Cd3 125.6(6) . . ?
C7 O2 Lu2 135.8(6) . . ?
C7 O2 Cd3 118.2(6) . . ?
Lu2 O2 Cd3 105.5(3) . . ?
C21 O3 Lu3 125.3(4) . . ?
C21 O3 Cd5 125.8(4) . . ?
Lu3 O3 Cd5 108.9(3) . . ?
C20 O4 C22 116.5(7) . . ?
C20 O4 Lu3 113.7(6) . . ?
C22 O4 Lu3 129.7(5) . . ?
C24 O5 C23 117.6(7) . . ?
C24 O5 Cd1 117.3(4) . . ?
C23 O5 Cd1 124.9(5) . . ?
C29 O6 Cd9 131.6(4) . . ?
C29 O6 Cd1 123.0(4) . . ?
Cd9 O6 Cd1 105.0(3) . . ?
C43 O7 Cd6 132.7(5) . . ?
C43 O7 Cd7 121.7(5) . . ?
Cd6 O7 Cd7 105.0(3) . . ?
C42 O8 C44 117.0(9) . . ?
C42 O8 Cd7 116.7(5) . . ?
C44 O8 Cd7 120.4(8) . . ?
C46 O9 C45 116.1(6) . . ?
C46 O9 Lu1 114.4(4) . . ?
C45 O9 Lu1 129.5(4) . . ?
C51 O10 Lu1 125.3(4) . . ?
C51 O10 Cd8 124.1(4) . . ?
Lu1 O10 Cd8 110.4(3) . . ?
C65 O11 Lu1 130.7(4) . . ?
C65 O11 Cd9 120.5(4) . . ?
Lu1 O11 Cd9 104.5(2) . . ?
C64 O12 C66 117.1(6) . . ?
C64 O12 Cd9 116.2(4) . . ?
C66 O12 Cd9 124.5(5) . . ?
C68 O13 C67 116.2(6) . . ?
C68 O13 Lu2 114.2(4) . . ?
C67 O13 Lu2 129.5(5) . . ?
C73 O14 Lu2 123.8(4) . . ?
C73 O14 Cd2 126.5(4) . . ?
Lu2 O14 Cd2 109.7(2) . . ?
C87 O15 Lu3 132.7(4) . . ?
C87 O15 Cd6 118.6(4) . . ?
Lu3 O15 Cd6 105.8(3) . . ?
C86 O16 C88 117.5(6) . . ?
C86 O16 Cd6 113.6(4) . . ?
C88 O16 Cd6 122.8(5) . . ?
C90 O17 C89 118.2(7) . . ?
C90 O17 Cd4 116.5(5) . . ?
C89 O17 Cd4 124.9(6) . . ?
C95 O18 Cd4 124.8(6) . . ?
C95 O18 Cd3 130.3(6) . . ?
Cd4 O18 Cd3 104.9(3) . . ?
C101 O19 Lu2 144.3(4) . . ?
C101 O20 Cd2 127.2(4) . . ?
C103 O21 Cd1 88.9(5) . . ?
C103 O21 Cd2 132.7(6) . . ?
Cd1 O21 Cd2 131.5(4) . . ?
C103 O22 Cd1 96.1(5) . . ?
C105 O23 Cd2 124.2(5) . . ?
C105 O24 Cd9 105.3(4) . . ?
C105 O24 Lu1 145.7(5) . . ?
Cd9 O24 Lu1 102.8(2) . . ?
C107 O25 Cd9 123.3(5) . . ?
C107 O25 Cd1 133.7(5) . . ?
Cd9 O25 Cd1 103.0(3) . . ?
C107 O26 Lu1 147.1(5) . . ?
C109 O27 Lu1 145.8(4) . . ?
C109 O28 Cd8 126.0(4) . . ?
C111 O29 Cd7 98.6(5) . . ?
C111 O30 Cd8 137.1(5) . . ?
C111 O30 Cd7 86.0(5) . . ?
Cd8 O30 Cd7 136.5(3) . . ?
C113 O31 Cd8 126.8(4) . . ?
C113 O32 Cd6 106.8(4) . . ?
C113 O32 Lu3 145.1(5) . . ?
Cd6 O32 Lu3 102.8(3) . . ?
C115 O33 Cd7 133.1(6) . . ?
C115 O33 Cd6 124.2(6) . . ?
Cd7 O33 Cd6 102.4(3) . . ?
C115 O34 Lu3 145.5(6) . . ?
C117 O35 Lu3 144.4(5) . . ?
C117 O36 Cd5 129.3(4) . . ?
C119 O37 Lu3 156.1(8) . . ?
C119 O37 Cd5 92.6(8) . . ?
Lu3 O37 Cd5 99.3(3) . . ?
C119 O38 Cd5 91.5(6) . . ?
C121 O39 Cd4 88.0(5) . . ?
C121 O39 Cd5 134.5(5) . . ?
Cd4 O39 Cd5 132.5(3) . . ?
C121 O40 Cd4 97.0(5) . . ?
C123 O41 Cd3 124.3(5) . . ?
C123 O41 Cd4 132.5(5) . . ?
Cd3 O41 Cd4 102.4(3) . . ?
C123 O42 Lu2 145.6(5) . . ?
C125 O43 Cd5 126.3(5) . . ?
C125 O44 Cd3 102.9(4) . . ?
C125 O44 Lu2 147.2(5) . . ?
Cd3 O44 Lu2 102.9(2) . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C3 C2 O1 126.2(10) . . ?
C3 C2 C7 119.5(11) . . ?
O1 C2 C7 114.2(9) . . ?
C2 C3 C4 122.2(12) . . ?
C2 C3 H3A 118.9 . . ?
C4 C3 H3A 118.9 . . ?
C5 C4 C3 120.0(14) . . ?
C5 C4 H4A 120.0 . . ?
C3 C4 H4A 120.0 . . ?
C4 C5 C6 119.8(13) . . ?
C4 C5 H5A 120.1 . . ?
C6 C5 H5A 120.1 . . ?
C7 C6 C8 124.7(10) . . ?
C7 C6 C5 119.7(11) . . ?
C8 C6 C5 115.5(10) . . ?
O2 C7 C6 123.2(9) . . ?
O2 C7 C2 118.4(9) . . ?
C6 C7 C2 118.4(10) . . ?
N1 C8 C6 126.7(10) . . ?
N1 C8 H8A 116.6 . . ?
C6 C8 H8A 116.7 . . ?
N1 C9 C10 112.3(8) . 2_655 ?
N1 C9 H9A 109.1 . . ?
C10 C9 H9A 109.1 2_655 . ?
N1 C9 H9B 109.1 . . ?
C10 C9 H9B 109.1 2_655 . ?
H9A C9 H9B 107.9 . . ?
C11 C10 C9 112.8(9) . 2_655 ?
C11 C10 H10A 109.0 . . ?
C9 C10 H10A 109.0 2_655 . ?
C11 C10 H10B 109.0 . . ?
C9 C10 H10B 109.0 2_655 . ?
H10A C10 H10B 107.8 . . ?
C10 C11 C12 111.6(9) . . ?
C10 C11 H11A 109.3 . . ?
C12 C11 H11A 109.3 . . ?
C10 C11 H11B 109.3 . . ?
C12 C11 H11B 109.3 . . ?
H11A C11 H11B 108.0 . . ?
C13 C12 C11 113.2(9) . . ?
C13 C12 H12A 108.9 . . ?
C11 C12 H12A 108.9 . . ?
C13 C12 H12B 108.9 . . ?
C11 C12 H12B 108.9 . . ?
H12A C12 H12B 107.8 . . ?
C12 C13 C14 111.2(9) . . ?
C12 C13 H13A 109.4 . . ?
C14 C13 H13A 109.4 . . ?
C12 C13 H13B 109.4 . . ?
C14 C13 H13B 109.4 . . ?
H13A C13 H13B 108.0 . . ?
N2 C14 C13 110.3(8) . . ?
N2 C14 H14A 109.6 . . ?
C13 C14 H14A 109.6 . . ?
N2 C14 H14B 109.6 . . ?
C13 C14 H14B 109.6 . . ?
H14A C14 H14B 108.1 . . ?
N2 C15 C16 127.8(10) . . ?
N2 C15 H15A 116.1 . . ?
C16 C15 H15A 116.1 . . ?
C21 C16 C17 120.4(9) . . ?
C21 C16 C15 124.6(8) . . ?
C17 C16 C15 115.0(10) . . ?
C18 C17 C16 121.0(11) . . ?
C18 C17 H17A 119.5 . . ?
C16 C17 H17A 119.5 . . ?
C19 C18 C17 118.6(11) . . ?
C19 C18 H18A 120.7 . . ?
C17 C18 H18A 120.7 . . ?
C18 C19 C20 121.6(11) . . ?
C18 C19 H19A 119.2 . . ?
C20 C19 H19A 119.2 . . ?
C19 C20 O4 126.4(10) . . ?
C19 C20 C21 121.2(10) . . ?
O4 C20 C21 112.4(8) . . ?
O3 C21 C16 125.7(7) . . ?
O3 C21 C20 117.2(7) . . ?
C16 C21 C20 117.1(6) . . ?
O4 C22 H22A 109.5 . . ?
O4 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
O4 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O5 C23 H23A 109.5 . . ?
O5 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
O5 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C25 C24 O5 125.2(10) . . ?
C25 C24 C29 123.3(10) . . ?
O5 C24 C29 111.6(8) . . ?
C24 C25 C26 119.7(11) . . ?
C24 C25 H25A 120.2 . . ?
C26 C25 H25A 120.2 . . ?
C27 C26 C25 120.2(11) . . ?
C27 C26 H26A 119.9 . . ?
C25 C26 H26A 119.9 . . ?
C26 C27 C28 122.7(11) . . ?
C26 C27 H27A 118.7 . . ?
C28 C27 H27A 118.7 . . ?
C29 C28 C30 126.8(10) . . ?
C29 C28 C27 117.3(10) . . ?
C30 C28 C27 115.7(10) . . ?
O6 C29 C28 123.4(8) . . ?
O6 C29 C24 119.8(8) . . ?
C28 C29 C24 116.8(9) . . ?
N3 C30 C28 127.9(10) . . ?
N3 C30 H30A 116.1 . . ?
C28 C30 H30A 116.1 . . ?
N3 C31 C32 108.4(11) . . ?
N3 C31 H31A 110.0 . . ?
C32 C31 H31A 110.0 . . ?
N3 C31 H31B 110.0 . . ?
C32 C31 H31B 110.0 . . ?
H31A C31 H31B 108.4 . . ?
C31 C32 C33 98.7(15) . . ?
C31 C32 C33' 131.5(15) . . ?
C33 C32 C33' 38.9(12) . . ?
C31 C32 H32A 112.0 . . ?
C33 C32 H32A 112.0 . . ?
C33' C32 H32A 107.3 . . ?
C31 C32 H32B 112.0 . . ?
C33 C32 H32B 112.0 . . ?
C33' C32 H32B 78.7 . . ?
H32A C32 H32B 109.7 . . ?
C34 C33 C32 136(2) 2_655 . ?
C34 C33 H33A 88.0 2_655 . ?
C32 C33 H33A 108.5 . . ?
C34 C33 H33B 99.8 2_655 . ?
C32 C33 H33B 111.7 . . ?
H33A C33 H33B 109.5 . . ?
C33 C34 C35 135(2) 2_655 . ?
C33 C34 H34A 93.6 2_655 . ?
C35 C34 H34A 108.9 . . ?
C33 C34 H34B 101.3 2_655 . ?
C35 C34 H34B 106.8 . . ?
H34A C34 H34B 109.5 . . ?
C99 C99 C98 118(4) 2_655 . ?
C99 C99 H99A 107.8 2_655 . ?
C98 C99 H99A 107.8 . . ?
C99 C99 H99C 107.8 2_655 . ?
C98 C99 H99C 107.8 . . ?
H99A C99 H99C 107.2 . . ?
C99' C99' C98 147(3) 2_655 . ?
C99' C99' H99D 100.1 2_655 . ?
C98 C99' H99D 100.1 . . ?
C99' C99' H99E 100.1 2_655 . ?
C98 C99' H99E 100.1 . . ?
H99D C99' H99E 104.2 . . ?
C34' C33' C32 122(2) 2_655 . ?
C34' C33' H33B 112.3 2_655 . ?
C32 C33' H33B 95.3 . . ?
C34' C33' H33D 106.8 2_655 . ?
C32 C33' H33D 106.8 . . ?
H33B C33' H33D 11.8 . . ?
C34' C33' H33F 106.8 2_655 . ?
C32 C33' H33F 106.8 . . ?
H33B C33' H33F 113.4 . . ?
H33D C33' H33F 106.6 . . ?
C33' C34' C35 121(3) 2_655 . ?
C33' C34' H34B 111.6 2_655 . ?
C35 C34' H34B 90.6 . . ?
C33' C34' H34D 107.1 2_655 . ?
C35 C34' H34D 107.1 . . ?
H34B C34' H34D 18.0 . . ?
C33' C34' H34F 107.1 2_655 . ?
C35 C34' H34F 107.1 . . ?
H34B C34' H34F 119.7 . . ?
H34D C34' H34F 106.8 . . ?
C36 C35 C34 98.2(15) . . ?
C36 C35 C34' 132.8(16) . . ?
C34 C35 C34' 41.0(12) . . ?
C36 C35 H35A 112.1 . . ?
C34 C35 H35A 112.1 . . ?
C34' C35 H35A 106.7 . . ?
C36 C35 H35B 112.1 . . ?
C34 C35 H35B 112.1 . . ?
C34' C35 H35B 77.3 . . ?
H35A C35 H35B 109.8 . . ?
C35 C36 N4 109.4(12) . . ?
C35 C36 H36A 109.8 . . ?
N4 C36 H36A 109.8 . . ?
C35 C36 H36B 109.8 . . ?
N4 C36 H36B 109.8 . . ?
H36A C36 H36B 108.2 . . ?
N4 C37 C38 129.3(11) . . ?
N4 C37 H37A 115.4 . . ?
C38 C37 H37A 115.4 . . ?
C43 C38 C39 119.1(12) . . ?
C43 C38 C37 126.0(11) . . ?
C39 C38 C37 114.9(12) . . ?
C40 C39 C38 119.8(16) . . ?
C40 C39 H39A 120.1 . . ?
C38 C39 H39A 120.1 . . ?
C41 C40 C39 120.9(17) . . ?
C41 C40 H40A 119.6 . . ?
C39 C40 H40A 119.6 . . ?
C42 C41 C40 119.8(15) . . ?
C42 C41 H41A 120.1 . . ?
C40 C41 H41A 120.1 . . ?
C41 C42 O8 124.3(12) . . ?
C41 C42 C43 122.6(14) . . ?
O8 C42 C43 113.0(10) . . ?
O7 C43 C38 123.7(9) . . ?
O7 C43 C42 118.6(11) . . ?
C38 C43 C42 117.6(11) . . ?
O8 C44 H44A 109.5 . . ?
O8 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
O8 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
O9 C45 H45A 109.5 . . ?
O9 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
O9 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C47 C46 O9 124.4(9) . . ?
C47 C46 C51 122.6(9) . . ?
O9 C46 C51 113.0(7) . . ?
C46 C47 C48 118.9(10) . . ?
C46 C47 H47A 120.5 . . ?
C48 C47 H47A 120.5 . . ?
C49 C48 C47 119.4(10) . . ?
C49 C48 H48A 120.3 . . ?
C47 C48 H48A 120.3 . . ?
C48 C49 C50 123.6(10) . . ?
C48 C49 H49A 118.2 . . ?
C50 C49 H49A 118.2 . . ?
C51 C50 C49 116.5(9) . . ?
C51 C50 C52 125.6(9) . . ?
C49 C50 C52 117.6(9) . . ?
O10 C51 C46 117.1(8) . . ?
O10 C51 C50 123.9(8) . . ?
C46 C51 C50 118.9(9) . . ?
N5 C52 C50 128.5(9) . . ?
N5 C52 H52A 115.7 . . ?
C50 C52 H52A 115.7 . . ?
N5 C53 C54 112.3(7) . . ?
N5 C53 H53A 109.1 . . ?
C54 C53 H53A 109.1 . . ?
N5 C53 H53B 109.1 . . ?
C54 C53 H53B 109.1 . . ?
H53A C53 H53B 107.9 . . ?
C55 C54 C53 111.2(8) . . ?
C55 C54 H54A 109.4 . . ?
C53 C54 H54A 109.4 . . ?
C55 C54 H54B 109.4 . . ?
C53 C54 H54B 109.4 . . ?
H54A C54 H54B 108.0 . . ?
C54 C55 C56 113.9(8) . . ?
C54 C55 H55A 108.8 . . ?
C56 C55 H55A 108.8 . . ?
C54 C55 H55B 108.8 . . ?
C56 C55 H55B 108.8 . . ?
H55A C55 H55B 107.7 . . ?
C55 C56 C57 112.8(8) . . ?
C55 C56 H56A 109.0 . . ?
C57 C56 H56A 109.0 . . ?
C55 C56 H56B 109.0 . . ?
C57 C56 H56B 109.0 . . ?
H56A C56 H56B 107.8 . . ?
C58 C57 C56 113.0(8) 2_655 . ?
C58 C57 H57B 109.0 2_655 . ?
C56 C57 H57B 109.0 . . ?
C58 C57 H57C 109.0 2_655 . ?
C56 C57 H57C 109.0 . . ?
H57B C57 H57C 107.8 . . ?
N6 C58 C57 111.7(7) . 2_655 ?
N6 C58 H58A 109.3 . . ?
C57 C58 H58A 109.3 2_655 . ?
N6 C58 H58B 109.3 . . ?
C57 C58 H58B 109.3 2_655 . ?
H58A C58 H58B 107.9 . . ?
N6 C59 C60 125.7(9) . . ?
N6 C59 H59A 117.2 . . ?
C60 C59 H59A 117.2 . . ?
C65 C60 C61 119.5(10) . . ?
C65 C60 C59 124.0(9) . . ?
C61 C60 C59 116.5(10) . . ?
C62 C61 C60 121.8(12) . . ?
C62 C61 H61A 119.1 . . ?
C60 C61 H61A 119.1 . . ?
C63 C62 C61 118.2(11) . . ?
C63 C62 H62A 120.9 . . ?
C61 C62 H62A 120.9 . . ?
C64 C63 C62 121.4(11) . . ?
C64 C63 H63A 119.3 . . ?
C62 C63 H63A 119.3 . . ?
O12 C64 C63 125.3(9) . . ?
O12 C64 C65 114.2(8) . . ?
C63 C64 C65 120.5(10) . . ?
O11 C65 C60 122.4(8) . . ?
O11 C65 C64 119.0(8) . . ?
C60 C65 C64 118.6(9) . . ?
O12 C66 H66A 109.5 . . ?
O12 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
O12 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
O13 C67 H67A 109.5 . . ?
O13 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
O13 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C69 C68 O13 124.8(9) . . ?
C69 C68 C73 122.7(9) . . ?
O13 C68 C73 112.5(7) . . ?
C68 C69 C70 119.9(10) . . ?
C68 C69 H69A 120.1 . . ?
C70 C69 H69A 120.1 . . ?
C71 C70 C69 119.3(10) . . ?
C71 C70 H70A 120.3 . . ?
C69 C70 H70A 120.3 . . ?
C70 C71 C72 121.9(10) . . ?
C70 C71 H71A 119.0 . . ?
C72 C71 H71A 119.0 . . ?
C71 C72 C73 118.4(9) . . ?
C71 C72 C74 116.3(9) . . ?
C73 C72 C74 125.2(8) . . ?
O14 C73 C68 118.3(8) . . ?
O14 C73 C72 123.9(8) . . ?
C68 C73 C72 117.7(8) . . ?
N7 C74 C72 129.6(8) . . ?
N7 C74 H74A 115.2 . . ?
C72 C74 H74A 115.2 . . ?
N7 C75 C76 113.4(7) . . ?
N7 C75 H75A 108.9 . . ?
C76 C75 H75A 108.9 . . ?
N7 C75 H75B 108.9 . . ?
C76 C75 H75B 108.9 . . ?
H75A C75 H75B 107.7 . . ?
C75 C76 C77 112.6(8) . . ?
C75 C76 H76A 109.1 . . ?
C77 C76 H76A 109.1 . . ?
C75 C76 H76B 109.1 . . ?
C77 C76 H76B 109.1 . . ?
H76A C76 H76B 107.8 . . ?
C76 C77 C78 114.3(8) . . ?
C76 C77 H77A 108.7 . . ?
C78 C77 H77A 108.7 . . ?
C76 C77 H77B 108.7 . . ?
C78 C77 H77B 108.7 . . ?
H77A C77 H77B 107.6 . . ?
C77 C78 C79 114.3(8) . 2_655 ?
C77 C78 H78A 108.7 . . ?
C79 C78 H78A 108.7 2_655 . ?
C77 C78 H78B 108.7 . . ?
C79 C78 H78B 108.7 2_655 . ?
H78A C78 H78B 107.6 . . ?
C80 C79 C78 111.7(9) . 2_655 ?
C80 C79 H79A 109.3 . . ?
C78 C79 H79A 109.3 2_655 . ?
C80 C79 H79B 109.3 . . ?
C78 C79 H79B 109.3 2_655 . ?
H79A C79 H79B 107.9 . . ?
N8 C80 C79 110.9(8) . . ?
N8 C80 H80A 109.5 . . ?
C79 C80 H80A 109.5 . . ?
N8 C80 H80B 109.5 . . ?
C79 C80 H80B 109.5 . . ?
H80A C80 H80B 108.0 . . ?
N8 C81 C82 128.4(8) . . ?
N8 C81 H81A 115.8 . . ?
C82 C81 H81A 115.8 . . ?
C83 C82 C87 120.0(9) . . ?
C83 C82 C81 118.2(9) . . ?
C87 C82 C81 121.6(9) . . ?
C84 C83 C82 119.8(11) . . ?
C84 C83 H83A 120.1 . . ?
C82 C83 H83A 120.1 . . ?
C83 C84 C85 121.4(10) . . ?
C83 C84 H84A 119.3 . . ?
C85 C84 H84A 119.3 . . ?
C84 C85 C86 119.8(9) . . ?
C84 C85 H85A 120.1 . . ?
C86 C85 H85A 120.1 . . ?
O16 C86 C85 124.6(9) . . ?
O16 C86 C87 114.2(8) . . ?
C85 C86 C87 121.1(9) . . ?
O15 C87 C86 120.1(9) . . ?
O15 C87 C82 122.3(8) . . ?
C86 C87 C82 117.6(9) . . ?
O16 C88 H88A 109.5 . . ?
O16 C88 H88B 109.5 . . ?
H88A C88 H88B 109.5 . . ?
O16 C88 H88C 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
O17 C89 H89A 109.5 . . ?
O17 C89 H89B 109.5 . . ?
H89A C89 H89B 109.5 . . ?
O17 C89 H89C 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
O17 C90 C91 125.6(12) . . ?
O17 C90 C95 114.3(9) . . ?
C91 C90 C95 120.1(13) . . ?
C92 C91 C90 119.5(15) . . ?
C92 C91 H91A 120.3 . . ?
C90 C91 H91A 120.3 . . ?
C91 C92 C93 121.4(15) . . ?
C91 C92 H92A 119.3 . . ?
C93 C92 H92A 119.3 . . ?
C92 C93 C94 120.7(15) . . ?
C92 C93 H93A 119.7 . . ?
C94 C93 H93A 119.7 . . ?
C95 C94 C93 120.1(13) . . ?
C95 C94 C96 126.0(12) . . ?
C93 C94 C96 113.9(13) . . ?
O18 C95 C94 125.5(10) . . ?
O18 C95 C90 116.2(11) . . ?
C94 C95 C90 118.2(11) . . ?
N9 C96 C94 129.8(12) . . ?
N9 C96 H96A 115.1 . . ?
C94 C96 H96A 115.1 . . ?
C98 C97 N9 112.3(11) . . ?
C98 C97 H97A 109.2 . . ?
N9 C97 H97A 109.2 . . ?
C98 C97 H97B 109.2 . . ?
N9 C97 H97B 109.2 . . ?
H97A C97 H97B 107.9 . . ?
C97 C98 C99' 97.0(16) . . ?
C97 C98 C99 131.3(16) . . ?
C99' C98 C99 40.8(13) . . ?
C97 C98 H98A 104.4 . . ?
C99' C98 H98A 97.7 . . ?
C99 C98 H98A 104.4 . . ?
C97 C98 H98B 104.4 . . ?
C99' C98 H98B 142.9 . . ?
C99 C98 H98B 104.4 . . ?
H98A C98 H98B 105.6 . . ?
C101 C100 H10D 109.5 . . ?
C101 C100 H10E 109.5 . . ?
H10D C100 H10E 109.5 . . ?
C101 C100 H10F 109.5 . . ?
H10D C100 H10F 109.5 . . ?
H10E C100 H10F 109.5 . . ?
O20 C101 O19 126.6(7) . . ?
O20 C101 C100 117.7(7) . . ?
O19 C101 C100 115.8(7) . . ?
C103 C102 H10G 109.5 . . ?
C103 C102 H10H 109.5 . . ?
H10G C102 H10H 109.5 . . ?
C103 C102 H10I 109.5 . . ?
H10G C102 H10I 109.5 . . ?
H10H C102 H10I 109.5 . . ?
O21 C103 O22 120.0(9) . . ?
O21 C103 C102 123.5(9) . . ?
O22 C103 C102 116.4(9) . . ?
O21 C103 Cd1 64.0(5) . . ?
O22 C103 Cd1 56.2(4) . . ?
C102 C103 Cd1 172.5(8) . . ?
C105 C104 H10J 109.5 . . ?
C105 C104 H10K 109.5 . . ?
H10J C104 H10K 109.5 . . ?
C105 C104 H10L 109.5 . . ?
H10J C104 H10L 109.5 . . ?
H10K C104 H10L 109.5 . . ?
O23 C105 O24 119.3(8) . . ?
O23 C105 C104 121.9(9) . . ?
O24 C105 C104 118.8(8) . . ?
C107 C106 H10M 109.5 . . ?
C107 C106 H10N 109.5 . . ?
H10M C106 H10N 109.5 . . ?
C107 C106 H10O 109.5 . . ?
H10M C106 H10O 109.5 . . ?
H10N C106 H10O 109.5 . . ?
O26 C107 O25 124.4(8) . . ?
O26 C107 C106 118.7(9) . . ?
O25 C107 C106 116.9(9) . . ?
C109 C108 H10P 109.5 . . ?
C109 C108 H10Q 109.5 . . ?
H10P C108 H10Q 109.5 . . ?
C109 C108 H10R 109.5 . . ?
H10P C108 H10R 109.5 . . ?
H10Q C108 H10R 109.5 . . ?
O28 C109 O27 125.8(7) . . ?
O28 C109 C108 117.9(8) . . ?
O27 C109 C108 116.3(7) . . ?
C111 C110 H11C 109.5 . . ?
C111 C110 H11D 109.5 . . ?
H11C C110 H11D 109.5 . . ?
C111 C110 H11E 109.5 . . ?
H11C C110 H11E 109.5 . . ?
H11D C110 H11E 109.5 . . ?
O29 C111 O30 120.6(9) . . ?
O29 C111 C110 118.2(10) . . ?
O30 C111 C110 121.2(10) . . ?
O29 C111 Cd7 54.4(4) . . ?
O30 C111 Cd7 66.2(5) . . ?
C110 C111 Cd7 172.5(9) . . ?
C113 C112 H11F 109.5 . . ?
C113 C112 H11G 109.5 . . ?
H11F C112 H11G 109.5 . . ?
C113 C112 H11H 109.5 . . ?
H11F C112 H11H 109.5 . . ?
H11G C112 H11H 109.5 . . ?
O31 C113 O32 117.9(7) . . ?
O31 C113 C112 122.2(9) . . ?
O32 C113 C112 119.9(8) . . ?
C115 C114 H11I 109.5 . . ?
C115 C114 H11J 109.5 . . ?
H11I C114 H11J 109.5 . . ?
C115 C114 H11K 109.5 . . ?
H11I C114 H11K 109.5 . . ?
H11J C114 H11K 109.5 . . ?
O34 C115 O33 124.6(10) . . ?
O34 C115 C114 118.2(12) . . ?
O33 C115 C114 117.1(11) . . ?
C117 C116 H11L 109.5 . . ?
C117 C116 H11M 109.5 . . ?
H11L C116 H11M 109.5 . . ?
C117 C116 H11N 109.5 . . ?
H11L C116 H11N 109.5 . . ?
H11M C116 H11N 109.5 . . ?
O36 C117 O35 124.5(8) . . ?
O36 C117 C116 117.7(8) . . ?
O35 C117 C116 117.8(8) . . ?
C119 C118 H11O 109.5 . . ?
C119 C118 H11P 109.5 . . ?
H11O C118 H11P 109.5 . . ?
C119 C118 H11Q 109.5 . . ?
H11O C118 H11Q 109.5 . . ?
H11P C118 H11Q 109.5 . . ?
O37 C119 O38 126.4(12) . . ?
O37 C119 C118 121.7(13) . . ?
O38 C119 C118 110.2(13) . . ?
O37 C119 Cd5 67.1(7) . . ?
O38 C119 Cd5 59.6(5) . . ?
C118 C119 Cd5 167.2(13) . . ?
C121 C120 H12C 109.5 . . ?
C121 C120 H12D 109.5 . . ?
H12C C120 H12D 109.5 . . ?
C121 C120 H12E 109.5 . . ?
H12C C120 H12E 109.5 . . ?
H12D C120 H12E 109.5 . . ?
O40 C121 O39 119.8(9) . . ?
O40 C121 C120 119.6(10) . . ?
O39 C121 C120 120.6(10) . . ?
O40 C121 Cd4 55.8(4) . . ?
O39 C121 Cd4 64.3(5) . . ?
C120 C121 Cd4 172.8(9) . . ?
C123 C122 H12F 109.5 . . ?
C123 C122 H12G 109.5 . . ?
H12F C122 H12G 109.5 . . ?
C123 C122 H12H 109.5 . . ?
H12F C122 H12H 109.5 . . ?
H12G C122 H12H 109.5 . . ?
O42 C123 O41 124.5(10) . . ?
O42 C123 C122 119.6(10) . . ?
O41 C123 C122 115.9(9) . . ?
C125 C124 H12I 109.5 . . ?
C125 C124 H12J 109.5 . . ?
H12I C124 H12J 109.5 . . ?
C125 C124 H12K 109.5 . . ?
H12I C124 H12K 109.5 . . ?
H12J C124 H12K 109.5 . . ?
O43 C125 O44 119.0(8) . . ?
O43 C125 C124 121.4(8) . . ?
O44 C125 C124 119.6(8) . . ?
C127 O45 H45D 109.9 . . ?
C129 O46 H46A 109.5 . . ?
C131 O47 H47D 131.8 . . ?
C133 O48 H48B 109.5 . . ?
C135 O49 H49C 109.5 . . ?
C137 O50 H50A 97.7 . . ?
C138 O51 H51 109.5 . . ?
C139 O52 H52B 109.5 . . ?
C142 O53 H53C 109.5 . . ?
C143 O54 H54C 109.5 . . ?
C141 O55 H55C 109.6 . . ?
C127 C126 H12Q 109.5 . . ?
C127 C126 H12R 109.5 . . ?
H12Q C126 H12R 109.5 . . ?
C127 C126 H12S 109.5 . . ?
H12Q C126 H12S 109.5 . . ?
H12R C126 H12S 109.5 . . ?
C126 C127 O45 111(3) . . ?
C126 C127 H12T 109.3 . . ?
O45 C127 H12T 109.3 . . ?
C126 C127 H12U 109.3 . . ?
O45 C127 H12U 109.3 . . ?
H12T C127 H12U 108.0 . . ?
C129 C128 H12N 109.5 . . ?
C129 C128 H12O 109.5 . . ?
H12N C128 H12O 109.5 . . ?
C129 C128 H12P 109.5 . . ?
H12N C128 H12P 109.5 . . ?
H12O C128 H12P 109.5 . . ?
C128 C129 O46 106.3(9) . . ?
C128 C129 H12L 110.5 . . ?
O46 C129 H12L 110.5 . . ?
C128 C129 H12M 110.5 . . ?
O46 C129 H12M 110.5 . . ?
H12L C129 H12M 108.7 . . ?
C131 C130 H13R 109.5 . . ?
C131 C130 H13S 109.5 . . ?
H13R C130 H13S 109.5 . . ?
C131 C130 H13T 109.5 . . ?
H13R C130 H13T 109.5 . . ?
H13S C130 H13T 109.5 . . ?
O47 C131 C130 107.8(11) . . ?
O47 C131 H13U 110.2 . . ?
C130 C131 H13U 110.2 . . ?
O47 C131 H13V 110.2 . . ?
C130 C131 H13V 110.2 . . ?
H13U C131 H13V 108.5 . . ?
C133 C132 H13M 109.5 . . ?
C133 C132 H13N 109.5 . . ?
H13M C132 H13N 109.5 . . ?
C133 C132 H13O 109.5 . . ?
H13M C132 H13O 109.5 . . ?
H13N C132 H13O 109.5 . . ?
O48 C133 C132 108(2) . . ?
O48 C133 H13P 110.1 . . ?
C132 C133 H13P 110.1 . . ?
O48 C133 H13Q 110.1 . . ?
C132 C133 H13Q 110.1 . . ?
H13P C133 H13Q 108.4 . . ?
C135 C134 H13C 109.5 . . ?
C135 C134 H13D 109.5 . . ?
H13C C134 H13D 109.5 . . ?
C135 C134 H13E 109.5 . . ?
H13C C134 H13E 109.5 . . ?
H13D C134 H13E 109.5 . . ?
O49 C135 C134 112.0(17) . . ?
O49 C135 H13F 109.2 . . ?
C134 C135 H13F 109.2 . . ?
O49 C135 H13G 109.2 . . ?
C134 C135 H13G 109.2 . . ?
H13F C135 H13G 107.9 . . ?
C137 C136 H13H 109.5 . . ?
C137 C136 H13I 109.5 . . ?
H13H C136 H13I 109.5 . . ?
C137 C136 H13J 109.5 . . ?
H13H C136 H13J 109.5 . . ?
H13I C136 H13J 109.5 . . ?
O50 C137 C136 132(4) . . ?
O50 C137 C137 139(4) . 2_655 ?
C136 C137 C137 88(3) . 2_655 ?
O50 C137 H50A 33.0 . . ?
C136 C137 H50A 163.5 . . ?
C137 C137 H50A 106.3 2_655 . ?
O50 C137 H13K 124.8 . . ?
C136 C137 H13K 89.4 . . ?
C137 C137 H13K 51.5 2_655 . ?
H50A C137 H13K 105.7 . . ?
O50 C137 H13L 108.4 . . ?
C136 C137 H13L 86.6 . . ?
C137 C137 H13L 57.8 2_655 . ?
H50A C137 H13L 94.4 . . ?
H13K C137 H13L 109.3 . . ?
O51 C138 H47D 132.7 . . ?
O51 C138 H13W 109.5 . . ?
H47D C138 H13W 117.4 . . ?
O51 C138 H13X 109.5 . . ?
H47D C138 H13X 49.3 . . ?
H13W C138 H13X 109.5 . . ?
O51 C138 H138 109.5 . . ?
H47D C138 H138 60.9 . . ?
H13W C138 H138 109.5 . . ?
H13X C138 H138 109.5 . . ?
O52 C139 H13Y 109.5 . . ?
O52 C139 H13Z 109.5 . . ?
H13Y C139 H13Z 109.5 . . ?
O52 C139 H139 109.5 . . ?
H13Y C139 H139 109.5 . . ?
H13Z C139 H139 109.5 . . ?
C141 C140 H14C 109.5 . . ?
C141 C140 H14D 109.5 . . ?
H14C C140 H14D 109.5 . . ?
C141 C140 H14E 109.5 . . ?
H14C C140 H14E 109.5 . . ?
H14D C140 H14E 109.5 . . ?
O55 C141 C140 118(3) . . ?
O55 C141 H14F 107.7 . . ?
C140 C141 H14F 107.7 . . ?
O55 C141 H14G 107.7 . . ?
C140 C141 H14G 107.7 . . ?
H14F C141 H14G 107.1 . . ?
O53 C142 H14H 109.5 . . ?
O53 C142 H14I 109.5 . . ?
H14H C142 H14I 109.5 . . ?
O53 C142 H142 109.5 . . ?
H14H C142 H142 109.5 . . ?
H14I C142 H142 109.5 . . ?
O54 C143 H14J 109.5 . . ?
O54 C143 H14K 109.5 . . ?
H14J C143 H14K 109.5 . . ?
O54 C143 H143 109.5 . . ?
H14J C143 H143 109.5 . . ?
H14K C143 H143 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.980
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.980
_refine_diff_density_max         2.663
_refine_diff_density_min         -1.787
_refine_diff_density_rms         0.175


_database_code_depnum_ccdc_archive 'CCDC 921363'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_Ho-complex

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C360 H464 Cd24 Ho8 N24 O144'
_chemical_formula_sum            'C360 H464 Cd24 Ho8 N24 O144'
_chemical_formula_weight         11448.59

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'
Ho Ho -0.2175 4.6783 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   Fddd
_symmetry_space_group_name_Hall  -F2uv2vw

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+3/4, -y+3/4, z'
'-x+3/4, y, -z+3/4'
'x, -y+3/4, -z+3/4'
'x, y+1/2, z+1/2'
'-x+3/4, -y+5/4, z+1/2'
'-x+3/4, y+1/2, -z+5/4'
'x, -y+5/4, -z+5/4'
'x+1/2, y, z+1/2'
'-x+5/4, -y+3/4, z+1/2'
'-x+5/4, y, -z+5/4'
'x+1/2, -y+3/4, -z+5/4'
'x+1/2, y+1/2, z'
'-x+5/4, -y+5/4, z'
'-x+5/4, y+1/2, -z+3/4'
'x+1/2, -y+5/4, -z+3/4'
'-x, -y, -z'
'x-3/4, y-3/4, -z'
'x-3/4, -y, z-3/4'
'-x, y-3/4, z-3/4'
'-x, -y+1/2, -z+1/2'
'x-3/4, y-1/4, -z+1/2'
'x-3/4, -y+1/2, z-1/4'
'-x, y-1/4, z-1/4'
'-x+1/2, -y, -z+1/2'
'x-1/4, y-3/4, -z+1/2'
'x-1/4, -y, z-1/4'
'-x+1/2, y-3/4, z-1/4'
'-x+1/2, -y+1/2, -z'
'x-1/4, y-1/4, -z'
'x-1/4, -y+1/2, z-3/4'
'-x+1/2, y-1/4, z-3/4'

_cell_length_a                   54.777(11)
_cell_length_b                   62.244(12)
_cell_length_c                   79.935(16)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     272538(94)
_cell_formula_units_Z            16
_cell_measurement_temperature    223(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       Block
_exptl_crystal_colour            Yellow
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.116
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             90112
_exptl_absorpt_coefficient_mu    1.702
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.4023
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   
'DENZO and Scalepack (Otwinoski and Minor, 1997)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      223(1)
_diffrn_radiation_wavelength     0.710747
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Sealed tube'
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_measurement_device_type  'Mercury2 (2x2 bin mode)'
_diffrn_measurement_method       dtprofit.ref
_diffrn_detector_area_resol_mean 13.6612
_diffrn_reflns_number            57740
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.4926
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_h_max       64
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       73
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       92
_diffrn_reflns_theta_min         2.96
_diffrn_reflns_theta_max         24.90
_reflns_number_total             57740
_reflns_number_gt                27234
_reflns_threshold_expression     >2sigma(I)
_computing_data_collection       'Collect software, Nonius B.V. 1998'
_computing_cell_refinement       'Collect software, Nonius B.V. 1998'
_computing_data_reduction        
;
DENZO and Scalepack (Otwinoski and Minor, 1997)
;
_computing_structure_solution    
;

SIR97 - Altomare A., Burla M.C., Camalli M., Cascarano G.L., Giacovazzo C., 
Guagliardi A., Moliterni A.G.G., Polidori G.,Spagna R.
;
_computing_structure_refinement  'XL SHELXTL/PC, Siemens Analytical'
_computing_molecular_graphics    'XP SHELXTL/PC, Siemens Analytical'
_computing_publication_material  ?



_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 

 Some uncoordinated solvent molecules such as MeOH, EtOEt and H2O molecules 
 were found to be badly disordered. Attempts to model the disorder were 
 unsatisfactory. The contributions to the scattering factors due to these 
 solvent molecules were removed by use of the utility SQUEEZE (Sluis and 
 Spek, 1990) in PLATON98 (Spek, 1998). PLATON98 was used as incorporated 
 in WinGX (Farrugia, 1999).

 Restraints: ISOR was applied to all non-hydrogen atoms to allow their Uij 
 components approximate to isotropic behavior.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           fullcycle
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0115P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         57740
_refine_ls_number_parameters     2521
_refine_ls_number_restraints     1709
_refine_ls_R_factor_all          0.2426
_refine_ls_R_factor_gt           0.0923
_refine_ls_wR_factor_ref         0.1812
_refine_ls_wR_factor_gt          0.1641
_refine_ls_goodness_of_fit_ref   0.951
_refine_ls_restrained_S_all      0.964
_refine_ls_shift/su_max          0.010
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ho1 Ho 0.498567(15) 0.648993(16) 0.436794(10) 0.1049(4) Uani 1 1 d U . .
Ho2 Ho 0.571318(15) 0.730105(16) 0.305915(11) 0.1102(4) Uani 1 1 d U . .
Ho3 Ho 0.653808(15) 0.740097(17) 0.438182(11) 0.1140(4) Uani 1 1 d U . .
Ho4 Ho 0.745353(15) 0.674642(16) 0.309005(11) 0.1101(4) Uani 1 1 d U . .
Cd1 Cd 0.690099(18) 0.713343(19) 0.310644(12) 0.0613(4) Uani 1 1 d U . .
Cd2 Cd 0.708858(18) 0.700971(19) 0.436599(13) 0.0631(4) Uani 1 1 d U . .
Cd3 Cd 0.526325(18) 0.681317(19) 0.308112(13) 0.0649(4) Uani 1 1 d U . .
Cd4 Cd 0.590747(18) 0.760620(19) 0.441510(12) 0.0628(4) Uani 1 1 d U . .
Cd5 Cd 0.667503(18) 0.759014(19) 0.269843(12) 0.0630(4) Uani 1 1 d U . .
Cd6 Cd 0.782261(18) 0.625515(19) 0.306122(12) 0.0609(4) Uani 1 1 d U . .
Cd7 Cd 0.776836(19) 0.591911(19) 0.269775(13) 0.0688(4) Uani 1 1 d U . .
Cd8 Cd 0.627046(17) 0.764279(18) 0.304799(12) 0.0579(4) Uani 1 1 d U . .
Cd9 Cd 0.472811(17) 0.594028(19) 0.441839(12) 0.0592(4) Uani 1 1 d U . .
Cd10 Cd 0.543441(18) 0.697158(18) 0.434255(13) 0.0602(4) Uani 1 1 d U . .
Cd11 Cd 0.489777(18) 0.562614(19) 0.478052(12) 0.0616(4) Uani 1 1 d U . .
Cd12 Cd 0.554847(19) 0.74339(2) 0.476515(13) 0.0698(4) Uani 1 1 d U . .
N1 N 0.7728(2) 0.70126(19) 0.32354(14) 0.068(4) Uani 1 1 d U . .
N2 N 0.74313(18) 0.7220(2) 0.42995(14) 0.056(4) Uani 1 1 d U . .
N3 N 0.7066(2) 0.74597(19) 0.31937(14) 0.065(4) Uani 1 1 d U . .
N4 N 0.67627(18) 0.7713(2) 0.42466(13) 0.055(4) Uani 1 1 d U . .
N5 N 0.6355(2) 0.78932(19) 0.32497(14) 0.064(4) Uani 1 1 d U . .
N6 N 0.57567(19) 0.78297(16) 0.42187(12) 0.040(3) Uani 1 1 d U . .
N7 N 0.54086(17) 0.75545(15) 0.31986(11) 0.055(3) Uani 1 1 d U . .
N8 N 0.51908(17) 0.72632(14) 0.42627(11) 0.049(3) Uani 1 1 d U . .
N9 N 0.48930(17) 0.69611(16) 0.31544(11) 0.060(3) Uani 1 1 d U . .
N10 N 0.46485(17) 0.66859(16) 0.42240(11) 0.059(4) Uani 1 1 d U . .
N11 N 0.43995(17) 0.63275(16) 0.32723(12) 0.062(4) Uani 1 1 d U . .
N12 N 0.44227(16) 0.58121(15) 0.42387(11) 0.052(3) Uani 1 1 d U . .
O1 O 0.81769(16) 0.64159(18) 0.29031(11) 0.064(3) Uani 1 1 d U . .
O2 O 0.78495(15) 0.66325(13) 0.30809(9) 0.052(3) Uani 1 1 d U . .
O3 O 0.69386(16) 0.73451(15) 0.44402(10) 0.056(3) Uani 1 1 d U . .
O4 O 0.67124(18) 0.76094(15) 0.46225(12) 0.076(3) Uani 1 1 d U . .
O5 O 0.76467(15) 0.69492(16) 0.28516(10) 0.054(3) Uani 1 1 d U . .
O6 O 0.73138(14) 0.70833(14) 0.30397(10) 0.052(3) Uani 1 1 d U . .
O7 O 0.63105(14) 0.77174(15) 0.44073(9) 0.050(3) Uani 1 1 d U . .
O8 O 0.59931(19) 0.79419(16) 0.45834(11) 0.076(3) Uani 1 1 d U . .
O9 O 0.70253(17) 0.78122(17) 0.27761(14) 0.081(4) Uani 1 1 d U . .
O10 O 0.66361(16) 0.77612(15) 0.29482(10) 0.062(3) Uani 1 1 d U . .
O11 O 0.55323(14) 0.76281(13) 0.45274(9) 0.067(3) Uani 1 1 d U . .
O12 O 0.51570(14) 0.76232(13) 0.47186(10) 0.069(3) Uani 1 1 d U . .
O13 O 0.60999(14) 0.79503(13) 0.28681(9) 0.065(3) Uani 1 1 d U . .
O14 O 0.58490(13) 0.76608(12) 0.30538(9) 0.052(3) Uani 1 1 d U . .
O15 O 0.50467(12) 0.68490(12) 0.44140(8) 0.036(2) Uani 1 1 d U . .
O16 O 0.47648(14) 0.66533(13) 0.46150(9) 0.065(3) Uani 1 1 d U . .
O17 O 0.54822(14) 0.74532(13) 0.28034(9) 0.067(3) Uani 1 1 d U . .
O18 O 0.53255(13) 0.71668(13) 0.30024(9) 0.060(3) Uani 1 1 d U . .
O19 O 0.46190(13) 0.63037(14) 0.43981(9) 0.062(3) Uani 1 1 d U . .
O20 O 0.43609(14) 0.60422(13) 0.45973(9) 0.061(3) Uani 1 1 d U . .
O21 O 0.44784(14) 0.69060(13) 0.27707(9) 0.068(3) Uani 1 1 d U . .
O22 O 0.45471(14) 0.65550(13) 0.29541(10) 0.069(3) Uani 1 1 d U . .
O23 O 0.46746(14) 0.56025(13) 0.45372(9) 0.065(3) Uani 1 1 d U . .
O24 O 0.46995(14) 0.52703(13) 0.47276(9) 0.061(3) Uani 1 1 d U . .
O25 O 0.80972(17) 0.59795(15) 0.25315(10) 0.093(3) Uani 1 1 d U . .
O26 O 0.77966(17) 0.61802(15) 0.24527(10) 0.093(4) Uani 1 1 d U . .
O27 O 0.74991(15) 0.57150(14) 0.25340(10) 0.078(3) Uani 1 1 d U . .
O28 O 0.76136(15) 0.62362(14) 0.28093(10) 0.073(3) Uani 1 1 d U . .
O29 O 0.74198(14) 0.65491(13) 0.28492(9) 0.064(3) Uani 1 1 d U . .
O30 O 0.74210(13) 0.60266(13) 0.31472(9) 0.057(3) Uani 1 1 d U . .
O31 O 0.74661(12) 0.63770(12) 0.31807(9) 0.042(3) Uani 1 1 d U . .
O32 O 0.72880(14) 0.67818(14) 0.33521(9) 0.070(3) Uani 1 1 d U . .
O33 O 0.69250(14) 0.69730(13) 0.33628(9) 0.069(3) Uani 1 1 d U . .
O34 O 0.70323(14) 0.66820(14) 0.30472(10) 0.079(3) Uani 1 1 d U . .
O35 O 0.66975(15) 0.68517(14) 0.29930(10) 0.080(3) Uani 1 1 d U . .
O36 O 0.68771(14) 0.72835(14) 0.28232(10) 0.074(3) Uani 1 1 d U . .
O37 O 0.68910(15) 0.73392(14) 0.25506(10) 0.083(3) Uani 1 1 d U . .
O38 O 0.66458(15) 0.78667(14) 0.25127(9) 0.068(3) Uani 1 1 d U . .
O39 O 0.64039(15) 0.76137(14) 0.24470(10) 0.077(3) Uani 1 1 d U . .
O40 O 0.65178(14) 0.72979(13) 0.31588(9) 0.057(3) Uani 1 1 d U . .
O41 O 0.61132(14) 0.73192(13) 0.31672(9) 0.066(3) Uani 1 1 d U . .
O42 O 0.63124(13) 0.74435(13) 0.28082(9) 0.058(3) Uani 1 1 d U . .
O43 O 0.59688(15) 0.72820(13) 0.28164(10) 0.070(3) Uani 1 1 d U . .
O44 O 0.57876(14) 0.69417(12) 0.30287(10) 0.063(3) Uani 1 1 d U . .
O45 O 0.55852(15) 0.66365(14) 0.29681(10) 0.074(3) Uani 1 1 d U . .
O46 O 0.56635(14) 0.71635(14) 0.33158(9) 0.073(3) Uani 1 1 d U . .
O47 O 0.54627(15) 0.68449(14) 0.33436(9) 0.077(3) Uani 1 1 d U . .
O48 O 0.50828(14) 0.67716(14) 0.28136(10) 0.076(3) Uani 1 1 d U . .
O49 O 0.73545(14) 0.67075(13) 0.43015(9) 0.065(3) Uani 1 1 d U . .
O50 O 0.74710(12) 0.63759(12) 0.42704(9) 0.041(3) Uani 1 1 d U . .
O51 O 0.72376(14) 0.69957(13) 0.46453(10) 0.070(3) Uani 1 1 d U . .
O52 O 0.69034(15) 0.70177(14) 0.40986(9) 0.075(3) Uani 1 1 d U . .
O53 O 0.66221(15) 0.72937(14) 0.41309(10) 0.079(3) Uani 1 1 d U . .
O54 O 0.68049(14) 0.67619(13) 0.44472(9) 0.069(3) Uani 1 1 d U . .
O55 O 0.65552(14) 0.70384(12) 0.44042(9) 0.056(3) Uani 1 1 d U . .
O56 O 0.63287(14) 0.73190(14) 0.46201(9) 0.068(3) Uani 1 1 d U . .
O57 O 0.59347(14) 0.73955(13) 0.46480(9) 0.066(3) Uani 1 1 d U . .
O58 O 0.61357(14) 0.73450(13) 0.42779(9) 0.063(3) Uani 1 1 d U . .
O59 O 0.57575(14) 0.72115(13) 0.42942(9) 0.068(3) Uani 1 1 d U . .
O60 O 0.56457(15) 0.76941(15) 0.49361(10) 0.087(3) Uani 1 1 d U . .
O61 O 0.58357(17) 0.73862(16) 0.50316(11) 0.108(4) Uani 1 1 d U . .
O62 O 0.53760(17) 0.71445(15) 0.48998(10) 0.092(3) Uani 1 1 d U . .
O63 O 0.54348(14) 0.70981(14) 0.46326(10) 0.070(3) Uani 1 1 d U . .
O64 O 0.57111(14) 0.67275(14) 0.44352(10) 0.076(3) Uani 1 1 d U . .
O65 O 0.54082(13) 0.65007(13) 0.43926(9) 0.063(3) Uani 1 1 d U . .
O66 O 0.54339(14) 0.68135(13) 0.40857(9) 0.061(3) Uani 1 1 d U . .
O67 O 0.51372(14) 0.65549(14) 0.41106(9) 0.066(3) Uani 1 1 d U . .
O68 O 0.50767(13) 0.62922(13) 0.46127(9) 0.057(3) Uani 1 1 d U . .
O69 O 0.49583(14) 0.59619(14) 0.46515(9) 0.068(3) Uani 1 1 d U . .
O70 O 0.48823(15) 0.58784(13) 0.50380(10) 0.076(3) Uani 1 1 d U . .
O71 O 0.45804(15) 0.56538(14) 0.49696(9) 0.072(3) Uani 1 1 d U . .
O72 O 0.52212(14) 0.54690(14) 0.49266(10) 0.079(3) Uani 1 1 d U . .
C1 C 0.8348(2) 0.6283(2) 0.28240(16) 0.088(6) Uani 1 1 d U . .
H1A H 0.8416 0.6357 0.2730 0.131 Uiso 1 1 calc R . .
H1B H 0.8270 0.6154 0.2787 0.131 Uiso 1 1 calc R . .
H1C H 0.8476 0.6248 0.2901 0.131 Uiso 1 1 calc R . .
C2 C 0.8255(3) 0.6601(3) 0.2951(2) 0.063(5) Uani 1 1 d U . .
C3 C 0.8483(3) 0.6692(3) 0.29191(18) 0.087(6) Uani 1 1 d U . .
H3A H 0.8599 0.6622 0.2854 0.104 Uiso 1 1 calc R . .
C4 C 0.8527(3) 0.6884(3) 0.29854(18) 0.088(6) Uani 1 1 d DU . .
H4A H 0.8681 0.6941 0.2964 0.105 Uiso 1 1 calc R . .
C5 C 0.8364(3) 0.7020(2) 0.30886(16) 0.070(5) Uani 1 1 d DU . .
H5A H 0.8414 0.7152 0.3130 0.084 Uiso 1 1 calc R . .
C6 C 0.8120(3) 0.6934(3) 0.31212(19) 0.071(5) Uani 1 1 d U . .
C7 C 0.8084(3) 0.6714(3) 0.30508(18) 0.062(5) Uani 1 1 d U . .
C8 C 0.7965(3) 0.7068(3) 0.32194(18) 0.082(6) Uani 1 1 d U . .
H8A H 0.8026 0.7190 0.3271 0.099 Uiso 1 1 calc R . .
C9 C 0.7618(2) 0.7168(2) 0.33622(16) 0.063(5) Uani 1 1 d DU . .
H9A H 0.7442 0.7176 0.3348 0.076 Uiso 1 1 calc R . .
H9B H 0.7686 0.7311 0.3348 0.076 Uiso 1 1 calc R . .
C10 C 0.7683(3) 0.7077(2) 0.35437(16) 0.102(6) Uani 1 1 d DU . .
H10A H 0.7629 0.6929 0.3552 0.123 Uiso 1 1 calc R . .
H10B H 0.7859 0.7080 0.3559 0.123 Uiso 1 1 calc R . .
C11 C 0.7558(3) 0.7214(2) 0.36851(18) 0.102(6) Uani 1 1 d U . .
H11B H 0.7610 0.7363 0.3678 0.122 Uiso 1 1 calc R . .
H11C H 0.7382 0.7209 0.3673 0.122 Uiso 1 1 calc R . .
C12 C 0.7635(2) 0.7115(2) 0.38570(17) 0.063(5) Uani 1 1 d U . .
H12A H 0.7604 0.6962 0.3856 0.076 Uiso 1 1 calc R . .
H12B H 0.7808 0.7138 0.3875 0.076 Uiso 1 1 calc R . .
C13 C 0.7490(2) 0.7221(2) 0.39978(17) 0.073(5) Uani 1 1 d U . .
H13A H 0.7319 0.7182 0.3989 0.088 Uiso 1 1 calc R . .
H13B H 0.7503 0.7376 0.3991 0.088 Uiso 1 1 calc R . .
C14 C 0.7599(2) 0.7138(2) 0.41695(17) 0.075(5) Uani 1 1 d U . .
H14A H 0.7605 0.6982 0.4172 0.090 Uiso 1 1 calc R . .
H14B H 0.7763 0.7193 0.4186 0.090 Uiso 1 1 calc R . .
C15 C 0.7485(2) 0.7403(2) 0.43795(16) 0.047(4) Uani 1 1 d U . .
H15A H 0.7634 0.7466 0.4352 0.056 Uiso 1 1 calc R . .
C16 C 0.7339(3) 0.7518(3) 0.45042(18) 0.061(5) Uani 1 1 d U . .
C17 C 0.7470(3) 0.7692(2) 0.45843(17) 0.065(5) Uani 1 1 d U . .
H17A H 0.7633 0.7723 0.4562 0.078 Uiso 1 1 calc R . .
C18 C 0.7332(3) 0.7811(3) 0.46989(19) 0.085(6) Uani 1 1 d U . .
H18A H 0.7413 0.7907 0.4769 0.102 Uiso 1 1 calc R . .
C19 C 0.7092(3) 0.7796(2) 0.47125(17) 0.063(5) Uani 1 1 d U . .
H19A H 0.7002 0.7889 0.4779 0.076 Uiso 1 1 calc R . .
C20 C 0.6978(3) 0.7627(3) 0.4619(2) 0.071(5) Uani 1 1 d U . .
C21 C 0.7081(3) 0.7475(3) 0.4515(2) 0.071(6) Uani 1 1 d U . .
C22 C 0.6583(2) 0.7715(2) 0.47610(15) 0.076(5) Uani 1 1 d U . .
H22A H 0.6682 0.7709 0.4860 0.113 Uiso 1 1 calc R . .
H22B H 0.6431 0.7643 0.4781 0.113 Uiso 1 1 calc R . .
H22C H 0.6553 0.7863 0.4732 0.113 Uiso 1 1 calc R . .
C23 C 0.7795(3) 0.6869(2) 0.27153(17) 0.103(6) Uani 1 1 d U . .
H23A H 0.7784 0.6965 0.2622 0.154 Uiso 1 1 calc R . .
H23B H 0.7738 0.6729 0.2683 0.154 Uiso 1 1 calc R . .
H23C H 0.7962 0.6859 0.2751 0.154 Uiso 1 1 calc R . .
C24 C 0.7622(3) 0.7176(3) 0.28599(19) 0.050(5) Uani 1 1 d U . .
C25 C 0.7763(3) 0.7323(3) 0.27688(19) 0.077(6) Uani 1 1 d U . .
H25A H 0.7872 0.7276 0.2687 0.092 Uiso 1 1 calc R . .
C26 C 0.7738(3) 0.7535(3) 0.28021(19) 0.083(6) Uani 1 1 d U . .
H26A H 0.7835 0.7630 0.2742 0.100 Uiso 1 1 calc R . .
C27 C 0.7575(3) 0.7625(3) 0.29213(19) 0.103(6) Uani 1 1 d U . .
H27A H 0.7476 0.7734 0.2868 0.123 Uiso 1 1 calc R . .
H27B H 0.7668 0.7693 0.3010 0.123 Uiso 1 1 calc R . .
C28 C 0.7418(3) 0.7456(3) 0.29914(19) 0.067(5) Uani 1 1 d DU . .
C29 C 0.7440(3) 0.7229(3) 0.29693(18) 0.044(5) Uani 1 1 d U . .
C30 C 0.7251(3) 0.7558(3) 0.31127(17) 0.076(6) Uani 1 1 d DU . .
H30A H 0.7275 0.7703 0.3135 0.092 Uiso 1 1 calc R . .
C31 C 0.6931(2) 0.7598(2) 0.33193(15) 0.052(4) Uani 1 1 d U . .
H31A H 0.6757 0.7569 0.3317 0.062 Uiso 1 1 calc R . .
H31B H 0.6959 0.7749 0.3299 0.062 Uiso 1 1 calc R . .
C32 C 0.7053(2) 0.7523(2) 0.34962(16) 0.085(5) Uani 1 1 d U . .
H32A H 0.7034 0.7369 0.3513 0.101 Uiso 1 1 calc R . .
H32B H 0.7226 0.7558 0.3499 0.101 Uiso 1 1 calc R . .
C33 C 0.6905(2) 0.7656(2) 0.36374(16) 0.068(5) Uani 1 1 d U . .
H33A H 0.6918 0.7809 0.3617 0.082 Uiso 1 1 calc R . .
H33B H 0.6734 0.7616 0.3636 0.082 Uiso 1 1 calc R . .
C34 C 0.7022(2) 0.7598(2) 0.38067(17) 0.071(5) Uani 1 1 d U . .
H34A H 0.7026 0.7443 0.3822 0.085 Uiso 1 1 calc R . .
H34B H 0.7187 0.7653 0.3814 0.085 Uiso 1 1 calc R . .
C35 C 0.6861(2) 0.7701(2) 0.39376(17) 0.073(5) Uani 1 1 d U . .
H35A H 0.6696 0.7645 0.3929 0.087 Uiso 1 1 calc R . .
H35B H 0.6854 0.7855 0.3920 0.087 Uiso 1 1 calc R . .
C36 C 0.6971(3) 0.7650(2) 0.41166(17) 0.083(5) Uani 1 1 d U . .
H36A H 0.7117 0.7734 0.4136 0.100 Uiso 1 1 calc R . .
H36B H 0.7011 0.7499 0.4126 0.100 Uiso 1 1 calc R . .
C37 C 0.6763(2) 0.7916(2) 0.42823(16) 0.047(5) Uani 1 1 d U . .
H37A H 0.6891 0.8001 0.4244 0.056 Uiso 1 1 calc R . .
C38 C 0.6575(3) 0.8013(3) 0.43782(19) 0.071(5) Uani 1 1 d U . .
C39 C 0.6615(2) 0.8238(2) 0.44239(17) 0.074(5) Uani 1 1 d U . .
H39A H 0.6775 0.8238 0.4475 0.088 Uiso 1 1 calc R . .
H39B H 0.6635 0.8310 0.4317 0.088 Uiso 1 1 calc R . .
C40 C 0.6478(3) 0.8390(3) 0.45231(17) 0.082(6) Uani 1 1 d U . .
H40A H 0.6525 0.8527 0.4554 0.099 Uiso 1 1 calc R . .
C41 C 0.6252(3) 0.8282(3) 0.45634(17) 0.082(6) Uani 1 1 d U . .
H41A H 0.6131 0.8362 0.4617 0.098 Uiso 1 1 calc R . .
C42 C 0.6202(3) 0.8064(3) 0.45276(19) 0.062(5) Uani 1 1 d U . .
C43 C 0.6358(3) 0.7925(2) 0.44282(17) 0.042(4) Uani 1 1 d U . .
C44 C 0.5799(3) 0.8071(2) 0.46579(18) 0.120(7) Uani 1 1 d U . .
H44A H 0.5869 0.8192 0.4715 0.180 Uiso 1 1 calc R . .
H44B H 0.5708 0.7985 0.4736 0.180 Uiso 1 1 calc R . .
H44C H 0.5692 0.8122 0.4571 0.180 Uiso 1 1 calc R . .
C45 C 0.7194(3) 0.7901(2) 0.26482(16) 0.101(6) Uani 1 1 d DU . .
H45A H 0.7334 0.7962 0.2703 0.151 Uiso 1 1 calc R . .
H45B H 0.7111 0.8010 0.2585 0.151 Uiso 1 1 calc R . .
H45C H 0.7246 0.7788 0.2575 0.151 Uiso 1 1 calc R . .
C46 C 0.7010(3) 0.7975(3) 0.2890(2) 0.075(6) Uani 1 1 d U . .
C47 C 0.7140(3) 0.8143(3) 0.29463(17) 0.121(7) Uani 1 1 d DU . .
H47A H 0.7287 0.8171 0.2892 0.145 Uiso 1 1 calc R . .
C48 C 0.7079(3) 0.8281(3) 0.3078(2) 0.112(7) Uani 1 1 d DU . .
H48B H 0.7176 0.8401 0.3098 0.134 Uiso 1 1 calc R . .
C49 C 0.6877(3) 0.8245(3) 0.3180(2) 0.120(7) Uani 1 1 d DU . .
H49A H 0.6838 0.8335 0.3269 0.144 Uiso 1 1 calc R . .
C50 C 0.6732(3) 0.8063(3) 0.3140(2) 0.079(6) Uani 1 1 d DU . .
C51 C 0.6780(3) 0.7926(3) 0.2988(2) 0.061(5) Uani 1 1 d U . .
C52 C 0.6520(3) 0.8035(3) 0.32510(18) 0.088(6) Uani 1 1 d DU . .
H52A H 0.6505 0.8138 0.3335 0.106 Uiso 1 1 calc R . .
C53 C 0.6158(3) 0.7911(2) 0.33850(18) 0.085(6) Uani 1 1 d U . .
H53A H 0.5995 0.7895 0.3339 0.102 Uiso 1 1 calc R . .
H53B H 0.6169 0.8045 0.3446 0.102 Uiso 1 1 calc R . .
C54 C 0.6230(3) 0.7716(3) 0.3496(2) 0.162(8) Uani 1 1 d U . .
H54A H 0.6392 0.7736 0.3541 0.195 Uiso 1 1 calc R . .
H54B H 0.6229 0.7585 0.3430 0.195 Uiso 1 1 calc R . .
C55 C 0.6036(4) 0.7695(3) 0.3647(2) 0.196(10) Uani 1 1 d DU . .
H55A H 0.5880 0.7742 0.3603 0.235 Uiso 1 1 calc R . .
H55B H 0.6020 0.7543 0.3672 0.235 Uiso 1 1 calc R . .
C56 C 0.6075(3) 0.7810(3) 0.3812(2) 0.184(9) Uani 1 1 d DU . .
H56A H 0.6031 0.7960 0.3799 0.220 Uiso 1 1 calc R . .
H56B H 0.6247 0.7804 0.3841 0.220 Uiso 1 1 calc R . .
C57 C 0.5920(3) 0.7713(2) 0.39660(18) 0.107(6) Uani 1 1 d DU . .
H57A H 0.5757 0.7671 0.3931 0.128 Uiso 1 1 calc R . .
H57B H 0.6002 0.7590 0.4016 0.128 Uiso 1 1 calc R . .
C58 C 0.5912(2) 0.7903(2) 0.40841(15) 0.060(5) Uani 1 1 d DU . .
H58A H 0.6074 0.7937 0.4125 0.072 Uiso 1 1 calc R . .
H58B H 0.5844 0.8028 0.4030 0.072 Uiso 1 1 calc R . .
C59 C 0.5541(2) 0.7926(2) 0.42350(16) 0.074(5) Uani 1 1 d DU . .
H59A H 0.5517 0.8032 0.4155 0.088 Uiso 1 1 calc R . .
C60 C 0.5333(3) 0.7906(2) 0.43479(18) 0.061(5) Uani 1 1 d U . .
C61 C 0.5124(3) 0.8033(2) 0.43152(18) 0.080(5) Uani 1 1 d U . .
H61A H 0.5114 0.8125 0.4223 0.096 Uiso 1 1 calc R . .
C62 C 0.4935(3) 0.8012(2) 0.4430(2) 0.094(6) Uani 1 1 d U . .
H62A H 0.4797 0.8094 0.4408 0.112 Uiso 1 1 calc R . .
C63 C 0.4924(3) 0.7892(2) 0.45662(18) 0.072(5) Uani 1 1 d U . .
H63A H 0.4791 0.7890 0.4639 0.086 Uiso 1 1 calc R . .
C64 C 0.5128(3) 0.7772(2) 0.45866(15) 0.052(5) Uani 1 1 d U . .
C65 C 0.5347(3) 0.7774(2) 0.4487(2) 0.063(5) Uani 1 1 d U . .
C66 C 0.4995(2) 0.7641(2) 0.48518(13) 0.085(5) Uani 1 1 d U . .
H66A H 0.4831 0.7652 0.4810 0.127 Uiso 1 1 calc R . .
H66B H 0.5034 0.7766 0.4916 0.127 Uiso 1 1 calc R . .
H66C H 0.5008 0.7516 0.4922 0.127 Uiso 1 1 calc R . .
C67 C 0.6236(2) 0.8093(2) 0.27631(15) 0.094(5) Uani 1 1 d U . .
H67A H 0.6127 0.8191 0.2709 0.141 Uiso 1 1 calc R . .
H67B H 0.6323 0.8011 0.2680 0.141 Uiso 1 1 calc R . .
H67C H 0.6351 0.8172 0.2830 0.141 Uiso 1 1 calc R . .
C68 C 0.5849(2) 0.7977(2) 0.28945(15) 0.042(4) Uani 1 1 d DU . .
C69 C 0.5741(3) 0.8171(2) 0.28344(17) 0.093(6) Uani 1 1 d DU . .
H69A H 0.5772 0.8181 0.2715 0.112 Uiso 1 1 calc R . .
H69B H 0.5823 0.8291 0.2888 0.112 Uiso 1 1 calc R . .
C70 C 0.5474(3) 0.8192(3) 0.2863(2) 0.118(7) Uani 1 1 d U . .
H70A H 0.5384 0.8299 0.2810 0.142 Uiso 1 1 calc R . .
C71 C 0.5363(3) 0.8046(3) 0.2972(2) 0.094(6) Uani 1 1 d U . .
H71A H 0.5201 0.8066 0.3001 0.112 Uiso 1 1 calc R . .
C72 C 0.5487(3) 0.7875(3) 0.30363(18) 0.055(5) Uani 1 1 d U . .
C73 C 0.5731(2) 0.7823(2) 0.30045(16) 0.048(4) Uani 1 1 d U . .
C74 C 0.5344(2) 0.7742(2) 0.31491(15) 0.061(5) Uani 1 1 d U . .
H74A H 0.5197 0.7797 0.3188 0.073 Uiso 1 1 calc R . .
C75 C 0.5226(2) 0.74624(19) 0.33305(13) 0.049(4) Uani 1 1 d U . .
H75A H 0.5220 0.7307 0.3325 0.059 Uiso 1 1 calc R . .
H75B H 0.5063 0.7519 0.3313 0.059 Uiso 1 1 calc R . .
C76 C 0.5333(3) 0.7539(2) 0.35047(19) 0.111(6) Uani 1 1 d U . .
H76A H 0.5508 0.7515 0.3508 0.133 Uiso 1 1 calc R . .
H76B H 0.5303 0.7691 0.3520 0.133 Uiso 1 1 calc R . .
C77 C 0.5204(2) 0.7406(2) 0.36482(17) 0.084(5) Uani 1 1 d U . .
H77A H 0.5030 0.7436 0.3648 0.100 Uiso 1 1 calc R . .
H77B H 0.5226 0.7254 0.3627 0.100 Uiso 1 1 calc R . .
C78 C 0.5306(2) 0.7460(2) 0.38125(16) 0.063(5) Uani 1 1 d U . .
H78A H 0.5267 0.7608 0.3839 0.075 Uiso 1 1 calc R . .
H78B H 0.5482 0.7446 0.3809 0.075 Uiso 1 1 calc R . .
C79 C 0.5200(2) 0.7310(2) 0.39491(15) 0.066(5) Uani 1 1 d U . .
H79A H 0.5261 0.7165 0.3935 0.079 Uiso 1 1 calc R . .
H79B H 0.5023 0.7307 0.3944 0.079 Uiso 1 1 calc R . .
C80 C 0.5291(2) 0.7410(2) 0.41281(15) 0.084(5) Uani 1 1 d U . .
H80A H 0.5468 0.7414 0.4133 0.101 Uiso 1 1 calc R . .
H80B H 0.5229 0.7555 0.4142 0.101 Uiso 1 1 calc R . .
C81 C 0.4982(2) 0.7326(2) 0.43423(16) 0.062(5) Uani 1 1 d U . .
H81A H 0.4916 0.7460 0.4316 0.075 Uiso 1 1 calc R . .
C82 C 0.4861(3) 0.7197(3) 0.44630(19) 0.073(5) Uani 1 1 d U . .
C83 C 0.4683(3) 0.7329(2) 0.45573(18) 0.076(5) Uani 1 1 d U . .
H83A H 0.4675 0.7476 0.4538 0.091 Uiso 1 1 calc R . .
C84 C 0.4535(3) 0.7240(3) 0.46699(17) 0.068(5) Uani 1 1 d U . .
H84A H 0.4422 0.7321 0.4730 0.082 Uiso 1 1 calc R . .
C85 C 0.4559(2) 0.7026(2) 0.46915(15) 0.056(5) Uani 1 1 d DU . .
H85A H 0.4452 0.6963 0.4768 0.067 Uiso 1 1 calc R . .
C86 C 0.4733(2) 0.6877(2) 0.46092(16) 0.063(5) Uani 1 1 d DU . .
C87 C 0.4909(2) 0.6970(3) 0.44900(16) 0.071(5) Uani 1 1 d DU . .
C88 C 0.4647(2) 0.6559(2) 0.47646(13) 0.075(5) Uani 1 1 d U . .
H88A H 0.4587 0.6672 0.4835 0.113 Uiso 1 1 calc R . .
H88B H 0.4765 0.6475 0.4825 0.113 Uiso 1 1 calc R . .
H88C H 0.4514 0.6468 0.4731 0.113 Uiso 1 1 calc R . .
C89 C 0.5576(2) 0.75821(19) 0.26641(13) 0.082(5) Uani 1 1 d U . .
H89A H 0.5490 0.7544 0.2563 0.122 Uiso 1 1 calc R . .
H89B H 0.5747 0.7555 0.2650 0.122 Uiso 1 1 calc R . .
H89C H 0.5551 0.7732 0.2688 0.122 Uiso 1 1 calc R . .
C90 C 0.5220(3) 0.7450(3) 0.28117(19) 0.068(5) Uani 1 1 d U . .
C91 C 0.5072(3) 0.7584(2) 0.27263(16) 0.057(5) Uani 1 1 d U . .
H91A H 0.5128 0.7684 0.2649 0.069 Uiso 1 1 calc R . .
C92 C 0.4825(3) 0.7557(3) 0.27643(18) 0.087(6) Uani 1 1 d U . .
H92A H 0.4712 0.7645 0.2711 0.104 Uiso 1 1 calc R . .
C93 C 0.4739(3) 0.7404(3) 0.2877(2) 0.105(7) Uani 1 1 d U . .
H93A H 0.4574 0.7395 0.2904 0.126 Uiso 1 1 calc R . .
C94 C 0.4903(3) 0.7273(2) 0.29461(19) 0.062(5) Uani 1 1 d U . .
C95 C 0.5159(3) 0.7280(2) 0.29306(17) 0.055(5) Uani 1 1 d U . .
C96 C 0.4798(2) 0.7152(2) 0.30859(16) 0.067(5) Uani 1 1 d U . .
H96A H 0.4656 0.7206 0.3134 0.080 Uiso 1 1 calc R . .
C97 C 0.4754(2) 0.6875(2) 0.32963(15) 0.069(5) Uani 1 1 d U . .
H97A H 0.4763 0.6719 0.3293 0.082 Uiso 1 1 calc R . .
H97B H 0.4584 0.6915 0.3283 0.082 Uiso 1 1 calc R . .
C98 C 0.4843(2) 0.6952(2) 0.34648(16) 0.062(5) Uani 1 1 d U . .
H98A H 0.4809 0.7104 0.3475 0.074 Uiso 1 1 calc R . .
H98B H 0.5018 0.6933 0.3471 0.074 Uiso 1 1 calc R . .
C99 C 0.4718(2) 0.6829(2) 0.36214(18) 0.086(5) Uani 1 1 d U . .
H99A H 0.4543 0.6829 0.3605 0.103 Uiso 1 1 calc R . .
H99B H 0.4772 0.6680 0.3620 0.103 Uiso 1 1 calc R . .
C100 C 0.4771(2) 0.6919(2) 0.37888(16) 0.053(4) Uani 1 1 d U . .
H10C H 0.4697 0.7059 0.3800 0.064 Uiso 1 1 calc R . .
H10D H 0.4946 0.6934 0.3804 0.064 Uiso 1 1 calc R . .
C101 C 0.4669(2) 0.6769(2) 0.39197(16) 0.060(5) Uani 1 1 d U . .
H10E H 0.4496 0.6747 0.3901 0.072 Uiso 1 1 calc R . .
H10F H 0.4751 0.6631 0.3914 0.072 Uiso 1 1 calc R . .
C102 C 0.4710(2) 0.6867(2) 0.40822(17) 0.096(6) Uani 1 1 d U . .
H10G H 0.4604 0.6991 0.4096 0.115 Uiso 1 1 calc R . .
H10H H 0.4878 0.6915 0.4092 0.115 Uiso 1 1 calc R . .
C103 C 0.4418(2) 0.6715(2) 0.42705(14) 0.056(4) Uani 1 1 d U . .
H10I H 0.4329 0.6834 0.4234 0.067 Uiso 1 1 calc R . .
C104 C 0.4309(3) 0.6551(3) 0.43835(16) 0.051(5) Uani 1 1 d U . .
C105 C 0.4064(3) 0.6621(2) 0.44431(17) 0.084(6) Uani 1 1 d U . .
H10J H 0.3997 0.6748 0.4403 0.100 Uiso 1 1 calc R . .
C106 C 0.3937(3) 0.6499(3) 0.45565(17) 0.071(5) Uani 1 1 d U . .
H10K H 0.3787 0.6547 0.4597 0.085 Uiso 1 1 calc R . .
C107 C 0.4028(3) 0.6306(3) 0.46105(17) 0.075(5) Uani 1 1 d U . .
H10L H 0.3936 0.6219 0.4681 0.090 Uiso 1 1 calc R . .
C108 C 0.4269(3) 0.6239(2) 0.45569(17) 0.069(5) Uani 1 1 d U . .
C109 C 0.4405(2) 0.6370(2) 0.44438(18) 0.053(5) Uani 1 1 d U . .
C110 C 0.4214(2) 0.59082(19) 0.47019(14) 0.075(5) Uani 1 1 d U . .
H11D H 0.4183 0.5981 0.4806 0.113 Uiso 1 1 calc R . .
H11E H 0.4299 0.5776 0.4723 0.113 Uiso 1 1 calc R . .
H11F H 0.4062 0.5878 0.4647 0.113 Uiso 1 1 calc R . .
C111 C 0.4384(2) 0.70247(18) 0.26323(13) 0.078(5) Uani 1 1 d U . .
H11G H 0.4505 0.7031 0.2545 0.117 Uiso 1 1 calc R . .
H11H H 0.4345 0.7168 0.2668 0.117 Uiso 1 1 calc R . .
H11I H 0.4240 0.6955 0.2591 0.117 Uiso 1 1 calc R . .
C112 C 0.4337(3) 0.6872(3) 0.29027(19) 0.090(6) Uani 1 1 d U . .
C113 C 0.4160(3) 0.7012(2) 0.2950(2) 0.083(6) Uani 1 1 d U . .
H11J H 0.4133 0.7130 0.2881 0.100 Uiso 1 1 calc R . .
C114 C 0.4011(2) 0.6994(2) 0.30978(18) 0.060(5) Uani 1 1 d U . .
H11K H 0.3900 0.7098 0.3131 0.072 Uiso 1 1 calc R . .
C115 C 0.4052(3) 0.6799(3) 0.3188(2) 0.122(7) Uani 1 1 d U . .
H11L H 0.3952 0.6770 0.3279 0.146 Uiso 1 1 calc R . .
C116 C 0.4235(3) 0.6647(2) 0.31462(19) 0.054(5) Uani 1 1 d U . .
C117 C 0.4370(2) 0.6681(2) 0.30012(19) 0.058(5) Uani 1 1 d U . .
C118 C 0.4244(2) 0.6479(2) 0.32719(17) 0.068(5) Uani 1 1 d U . .
H11M H 0.4129 0.6482 0.3358 0.081 Uiso 1 1 calc R . .
C119 C 0.4395(2) 0.6172(2) 0.34126(14) 0.074(5) Uani 1 1 d U . .
H11N H 0.4370 0.6028 0.3370 0.089 Uiso 1 1 calc R . .
H11O H 0.4262 0.6206 0.3488 0.089 Uiso 1 1 calc R . .
C120 C 0.4643(3) 0.6186(2) 0.35074(18) 0.100(6) Uani 1 1 d DU . .
H12C H 0.4669 0.6331 0.3546 0.121 Uiso 1 1 calc R . .
H12D H 0.4775 0.6148 0.3432 0.121 Uiso 1 1 calc R . .
C121 C 0.4644(3) 0.6027(3) 0.3663(2) 0.142(8) Uani 1 1 d DU . .
H12E H 0.4597 0.5885 0.3623 0.170 Uiso 1 1 calc R . .
H12F H 0.4811 0.6015 0.3702 0.170 Uiso 1 1 calc R . .
C122 C 0.4485(3) 0.6080(2) 0.38107(18) 0.089(6) Uani 1 1 d U . .
H12G H 0.4315 0.6065 0.3780 0.107 Uiso 1 1 calc R . .
H12H H 0.4513 0.6228 0.3844 0.107 Uiso 1 1 calc R . .
C123 C 0.4547(2) 0.5923(2) 0.39647(16) 0.076(5) Uani 1 1 d U . .
H12I H 0.4540 0.5775 0.3928 0.091 Uiso 1 1 calc R . .
H12J H 0.4711 0.5952 0.4006 0.091 Uiso 1 1 calc R . .
C124 C 0.4365(2) 0.5962(2) 0.40999(14) 0.064(5) Uani 1 1 d U . .
H12K H 0.4376 0.6110 0.4138 0.077 Uiso 1 1 calc R . .
H12L H 0.4201 0.5936 0.4059 0.077 Uiso 1 1 calc R . .
C125 C 0.4303(2) 0.5631(2) 0.42610(18) 0.084(5) Uani 1 1 d U . .
H12M H 0.4183 0.5605 0.4181 0.100 Uiso 1 1 calc R . .
C126 C 0.4326(3) 0.5464(3) 0.43899(19) 0.058(5) Uani 1 1 d U . .
C127 C 0.4158(3) 0.5287(3) 0.43732(18) 0.075(5) Uani 1 1 d U . .
H12N H 0.4037 0.5294 0.4291 0.090 Uiso 1 1 calc R . .
C128 C 0.4170(3) 0.5108(3) 0.44746(19) 0.094(6) Uani 1 1 d DU . .
H12O H 0.4058 0.4997 0.4462 0.113 Uiso 1 1 calc R . .
C129 C 0.4355(3) 0.5095(2) 0.45993(15) 0.067(5) Uani 1 1 d DU . .
H12P H 0.4450 0.4966 0.4578 0.080 Uiso 1 1 calc R . .
H12Q H 0.4276 0.5077 0.4707 0.080 Uiso 1 1 calc R . .
C130 C 0.4521(2) 0.5271(2) 0.46132(16) 0.060(5) Uani 1 1 d DU . .
C131 C 0.4507(3) 0.5446(2) 0.4515(2) 0.064(5) Uani 1 1 d U . .
C132 C 0.4674(2) 0.51047(19) 0.48608(13) 0.082(5) Uani 1 1 d U . .
H13C H 0.4589 0.4982 0.4817 0.124 Uiso 1 1 calc R . .
H13D H 0.4583 0.5163 0.4953 0.124 Uiso 1 1 calc R . .
H13E H 0.4833 0.5062 0.4899 0.124 Uiso 1 1 calc R . .
C133 C 0.8202(3) 0.6252(2) 0.23138(18) 0.135(7) Uani 1 1 d DU . .
H13F H 0.8115 0.6281 0.2212 0.202 Uiso 1 1 calc R . .
H13G H 0.8335 0.6155 0.2291 0.202 Uiso 1 1 calc R . .
H13H H 0.8265 0.6384 0.2358 0.202 Uiso 1 1 calc R . .
C134 C 0.8032(3) 0.6152(2) 0.24395(17) 0.098(6) Uani 1 1 d DU . .
C135 C 0.7109(2) 0.5568(2) 0.26112(15) 0.096(6) Uani 1 1 d DU . .
H13I H 0.7075 0.5447 0.2681 0.144 Uiso 1 1 calc R . .
H13J H 0.7112 0.5524 0.2496 0.144 Uiso 1 1 calc R . .
H13K H 0.6985 0.5676 0.2627 0.144 Uiso 1 1 calc R . .
C136 C 0.7352(2) 0.5660(3) 0.26572(18) 0.113(6) Uani 1 1 d DU . .
C137 C 0.7264(2) 0.6287(2) 0.26402(16) 0.094(6) Uani 1 1 d U . .
H13M H 0.7317 0.6148 0.2605 0.141 Uiso 1 1 calc R . .
H13N H 0.7263 0.6383 0.2546 0.141 Uiso 1 1 calc R . .
H13O H 0.7102 0.6277 0.2686 0.141 Uiso 1 1 calc R . .
C138 C 0.7433(2) 0.6371(2) 0.27707(16) 0.069(5) Uani 1 1 d U . .
C139 C 0.7092(2) 0.6201(2) 0.32903(14) 0.079(5) Uani 1 1 d DU . .
H13P H 0.7049 0.6344 0.3325 0.118 Uiso 1 1 calc R . .
H13Q H 0.7103 0.6110 0.3387 0.118 Uiso 1 1 calc R . .
H13R H 0.6970 0.6147 0.3215 0.118 Uiso 1 1 calc R . .
C140 C 0.7338(2) 0.6206(2) 0.32020(14) 0.055(4) Uani 1 1 d DU . .
C141 C 0.7047(2) 0.6732(2) 0.35900(15) 0.082(5) Uani 1 1 d U . .
H14C H 0.6890 0.6770 0.3635 0.123 Uiso 1 1 calc R . .
H14D H 0.7173 0.6781 0.3664 0.123 Uiso 1 1 calc R . .
H14E H 0.7057 0.6578 0.3579 0.123 Uiso 1 1 calc R . .
C142 C 0.7077(2) 0.6833(2) 0.34230(17) 0.084(5) Uani 1 1 d U . .
C143 C 0.6717(2) 0.6483(2) 0.29307(16) 0.097(6) Uani 1 1 d DU . .
H14F H 0.6836 0.6370 0.2939 0.145 Uiso 1 1 calc R . .
H14G H 0.6669 0.6501 0.2816 0.145 Uiso 1 1 calc R . .
H14H H 0.6577 0.6446 0.2997 0.145 Uiso 1 1 calc R . .
C144 C 0.6820(2) 0.6680(2) 0.29918(16) 0.077(5) Uani 1 1 d DU . .
C145 C 0.7048(2) 0.6992(2) 0.26454(15) 0.083(5) Uani 1 1 d U . .
H14I H 0.7193 0.6979 0.2712 0.125 Uiso 1 1 calc R . .
H14J H 0.7088 0.6975 0.2529 0.125 Uiso 1 1 calc R . .
H14K H 0.6933 0.6884 0.2678 0.125 Uiso 1 1 calc R . .
C146 C 0.6938(2) 0.7210(2) 0.26719(15) 0.071(5) Uani 1 1 d U . .
C147 C 0.6392(2) 0.7927(2) 0.22695(15) 0.096(6) Uani 1 1 d DU . .
H14L H 0.6266 0.7849 0.2213 0.144 Uiso 1 1 calc R . .
H14M H 0.6529 0.7946 0.2196 0.144 Uiso 1 1 calc R . .
H14N H 0.6332 0.8065 0.2303 0.144 Uiso 1 1 calc R . .
C148 C 0.6471(2) 0.7805(2) 0.24210(16) 0.071(5) Uani 1 1 d DU . .
C149 C 0.6276(2) 0.7092(2) 0.26294(17) 0.098(6) Uani 1 1 d U . .
H14O H 0.6145 0.6992 0.2611 0.148 Uiso 1 1 calc R . .
H14P H 0.6412 0.7018 0.2679 0.148 Uiso 1 1 calc R . .
H14Q H 0.6325 0.7153 0.2525 0.148 Uiso 1 1 calc R . .
C150 C 0.6194(3) 0.7260(3) 0.27397(19) 0.098(6) Uani 1 1 d U . .
C151 C 0.6296(2) 0.6988(2) 0.32881(17) 0.119(6) Uani 1 1 d U . .
H15B H 0.6128 0.6949 0.3305 0.179 Uiso 1 1 calc R . .
H15C H 0.6377 0.7000 0.3394 0.179 Uiso 1 1 calc R . .
H15D H 0.6375 0.6879 0.3222 0.179 Uiso 1 1 calc R . .
C152 C 0.6310(2) 0.7214(2) 0.31920(15) 0.056(4) Uani 1 1 d U . .
C153 C 0.5997(3) 0.6637(2) 0.29151(18) 0.128(7) Uani 1 1 d U . .
H15E H 0.6141 0.6725 0.2919 0.192 Uiso 1 1 calc R . .
H15F H 0.5969 0.6590 0.2802 0.192 Uiso 1 1 calc R . .
H15G H 0.6019 0.6514 0.2986 0.192 Uiso 1 1 calc R . .
C154 C 0.5775(2) 0.6768(2) 0.29764(15) 0.056(4) Uani 1 1 d U . .
C155 C 0.5715(2) 0.6931(2) 0.35675(15) 0.080(5) Uani 1 1 d U . .
H15H H 0.5645 0.6797 0.3603 0.120 Uiso 1 1 calc R . .
H15I H 0.5676 0.7041 0.3647 0.120 Uiso 1 1 calc R . .
H15J H 0.5889 0.6916 0.3560 0.120 Uiso 1 1 calc R . .
C156 C 0.5612(2) 0.6992(2) 0.33978(18) 0.073(5) Uani 1 1 d U . .
C157 C 0.7081(2) 0.6475(2) 0.41376(15) 0.087(5) Uani 1 1 d DU . .
H15K H 0.7078 0.6328 0.4101 0.131 Uiso 1 1 calc R . .
H15L H 0.7075 0.6568 0.4042 0.131 Uiso 1 1 calc R . .
H15M H 0.6943 0.6502 0.4208 0.131 Uiso 1 1 calc R . .
C158 C 0.7313(2) 0.6516(2) 0.42336(14) 0.060(5) Uani 1 1 d DU . .
C159 C 0.6638(2) 0.7049(2) 0.38644(16) 0.113(6) Uani 1 1 d U . .
H15N H 0.6504 0.7130 0.3820 0.169 Uiso 1 1 calc R . .
H15O H 0.6591 0.6901 0.3875 0.169 Uiso 1 1 calc R . .
H15P H 0.6775 0.7060 0.3790 0.169 Uiso 1 1 calc R . .
C160 C 0.6718(2) 0.7150(2) 0.40629(15) 0.059(4) Uani 1 1 d U . .
C161 C 0.6395(2) 0.6676(2) 0.44793(17) 0.104(6) Uani 1 1 d U . .
H16A H 0.6231 0.6730 0.4478 0.155 Uiso 1 1 calc R . .
H16B H 0.6433 0.6621 0.4588 0.155 Uiso 1 1 calc R . .
H16C H 0.6412 0.6564 0.4398 0.155 Uiso 1 1 calc R . .
C162 C 0.6579(2) 0.6866(2) 0.44357(14) 0.049(4) Uani 1 1 d U . .
C163 C 0.6040(2) 0.6993(2) 0.41361(15) 0.079(5) Uani 1 1 d U . .
H16D H 0.6211 0.6989 0.4107 0.119 Uiso 1 1 calc R . .
H16E H 0.5945 0.7001 0.4036 0.119 Uiso 1 1 calc R . .
H16F H 0.5998 0.6866 0.4197 0.119 Uiso 1 1 calc R . .
C164 C 0.5993(2) 0.7179(2) 0.42380(16) 0.080(5) Uani 1 1 d U . .
C165 C 0.6066(3) 0.7052(2) 0.47826(17) 0.116(6) Uani 1 1 d U . .
H16G H 0.5895 0.7046 0.4808 0.174 Uiso 1 1 calc R . .
H16H H 0.6158 0.7058 0.4885 0.174 Uiso 1 1 calc R . .
H16I H 0.6112 0.6926 0.4721 0.174 Uiso 1 1 calc R . .
C166 C 0.6122(3) 0.7260(3) 0.46733(16) 0.092(6) Uani 1 1 d U . .
C167 C 0.5929(3) 0.7733(2) 0.51493(18) 0.147(8) Uani 1 1 d DU . .
H16J H 0.5852 0.7713 0.5256 0.220 Uiso 1 1 calc R . .
H16K H 0.5921 0.7882 0.5119 0.220 Uiso 1 1 calc R . .
H16L H 0.6096 0.7689 0.5156 0.220 Uiso 1 1 calc R . .
C168 C 0.5799(2) 0.7602(2) 0.50200(15) 0.058(4) Uani 1 1 d DU . .
C169 C 0.5324(2) 0.6783(2) 0.47958(14) 0.066(5) Uani 1 1 d U . .
H16M H 0.5285 0.6745 0.4909 0.099 Uiso 1 1 calc R . .
H16N H 0.5467 0.6705 0.4761 0.099 Uiso 1 1 calc R . .
H16O H 0.5190 0.6747 0.4724 0.099 Uiso 1 1 calc R . .
C170 C 0.5374(2) 0.7021(2) 0.47856(14) 0.061(5) Uani 1 1 d U . .
C171 C 0.5810(2) 0.6364(2) 0.44648(16) 0.097(6) Uani 1 1 d U . .
H17B H 0.5735 0.6225 0.4457 0.145 Uiso 1 1 calc R . .
H17C H 0.5868 0.6387 0.4577 0.145 Uiso 1 1 calc R . .
H17D H 0.5946 0.6371 0.4389 0.145 Uiso 1 1 calc R . .
C172 C 0.5621(3) 0.6541(2) 0.44191(16) 0.088(5) Uani 1 1 d U . .
C173 C 0.5381(2) 0.6554(2) 0.38616(16) 0.100(6) Uani 1 1 d DU . .
H17E H 0.5518 0.6626 0.3812 0.149 Uiso 1 1 calc R . .
H17F H 0.5240 0.6571 0.3792 0.149 Uiso 1 1 calc R . .
H17G H 0.5418 0.6404 0.3873 0.149 Uiso 1 1 calc R . .
C174 C 0.5331(2) 0.6649(2) 0.40304(16) 0.076(5) Uani 1 1 d DU . .
C175 C 0.5340(2) 0.6077(2) 0.47906(15) 0.079(5) Uani 1 1 d DU . .
H17H H 0.5438 0.6205 0.4796 0.119 Uiso 1 1 calc R . .
H17I H 0.5436 0.5962 0.4746 0.119 Uiso 1 1 calc R . .
H17J H 0.5286 0.6040 0.4901 0.119 Uiso 1 1 calc R . .
C176 C 0.5124(2) 0.6116(2) 0.46805(16) 0.089(5) Uani 1 1 d DU . .
C177 C 0.5634(2) 0.5395(2) 0.48133(15) 0.083(5) Uani 1 1 d DU . .
H17K H 0.5651 0.5242 0.4825 0.124 Uiso 1 1 calc R . .
H17L H 0.5692 0.5464 0.4913 0.124 Uiso 1 1 calc R . .
H17M H 0.5728 0.5443 0.4719 0.124 Uiso 1 1 calc R . .
C178 C 0.5369(2) 0.5450(2) 0.47864(17) 0.105(6) Uani 1 1 d DU . .
C179 C 0.4522(3) 0.5896(2) 0.51929(17) 0.116(6) Uani 1 1 d U . .
H17O H 0.4622 0.6001 0.5247 0.175 Uiso 1 1 calc R . .
H17P H 0.4473 0.5789 0.5273 0.175 Uiso 1 1 calc R . .
H17Q H 0.4380 0.5964 0.5147 0.175 Uiso 1 1 calc R . .
C180 C 0.4668(2) 0.5789(2) 0.50514(16) 0.063(5) Uani 1 1 d U . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ho1 O67 2.255(7) . ?
Ho1 O15 2.290(7) . ?
Ho1 O65 2.324(7) . ?
Ho1 O19 2.331(8) . ?
Ho1 O68 2.364(8) . ?
Ho1 O50 2.418(7) 14 ?
Ho1 N10 2.495(9) . ?
Ho1 O16 2.529(8) . ?
Ho1 Cd9 3.7226(17) . ?
Ho2 O46 2.240(7) . ?
Ho2 O44 2.287(7) . ?
Ho2 O18 2.327(7) . ?
Ho2 O41 2.358(8) . ?
Ho2 O14 2.360(7) . ?
Ho2 O43 2.396(8) . ?
Ho2 N7 2.553(9) . ?
Ho2 O17 2.584(8) . ?
Ho2 Cd8 3.7216(15) . ?
Ho3 O53 2.164(7) . ?
Ho3 O55 2.266(7) . ?
Ho3 O3 2.270(8) . ?
Ho3 O56 2.281(7) . ?
Ho3 O7 2.340(9) . ?
Ho3 O58 2.381(7) . ?
Ho3 O4 2.509(9) . ?
Ho3 N4 2.540(11) . ?
Ho3 Cd4 3.6925(15) . ?
Ho4 O6 2.268(9) . ?
Ho4 O2 2.283(8) . ?
Ho4 O29 2.291(8) . ?
Ho4 O32 2.293(8) . ?
Ho4 O34 2.367(8) . ?
Ho4 O31 2.412(7) . ?
Ho4 O5 2.519(9) . ?
Ho4 N1 2.520(11) . ?
Ho4 Cd6 3.6730(16) . ?
Cd1 O35 2.267(9) . ?
Cd1 O33 2.283(8) . ?
Cd1 N3 2.330(11) . ?
Cd1 O6 2.344(8) . ?
Cd1 O40 2.372(8) . ?
Cd1 O36 2.453(8) . ?
Cd2 O54 2.284(8) . ?
Cd2 O3 2.320(9) . ?
Cd2 N2 2.350(11) . ?
Cd2 O52 2.366(8) . ?
Cd2 O51 2.379(8) . ?
Cd2 O49 2.434(8) . ?
Cd3 O45 2.266(8) . ?
Cd3 N9 2.303(9) . ?
Cd3 O18 2.314(8) . ?
Cd3 O48 2.370(8) . ?
Cd3 O47 2.374(8) . ?
Cd3 O30 2.402(8) 14 ?
Cd4 O11 2.247(8) . ?
Cd4 N6 2.254(9) . ?
Cd4 O57 2.282(8) . ?
Cd4 O7 2.315(8) . ?
Cd4 O58 2.326(8) . ?
Cd4 O8 2.529(9) . ?
Cd5 O10 2.273(9) . ?
Cd5 O38 2.279(8) . ?
Cd5 O37 2.288(9) . ?
Cd5 O42 2.355(8) . ?
Cd5 O36 2.421(9) . ?
Cd5 O9 2.445(9) . ?
Cd5 O39 2.504(8) . ?
Cd6 O22 2.229(8) 14 ?
Cd6 O31 2.302(7) . ?
Cd6 O28 2.320(8) . ?
Cd6 N11 2.330(9) 14 ?
Cd6 O2 2.359(8) . ?
Cd6 O1 2.523(9) . ?
Cd7 O25 2.270(8) . ?
Cd7 O22 2.291(8) 14 ?
Cd7 O28 2.326(8) . ?
Cd7 O27 2.346(8) . ?
Cd7 O48 2.443(8) 14 ?
Cd7 O21 2.522(8) 14 ?
Cd7 O26 2.550(9) . ?
Cd8 O10 2.278(9) . ?
Cd8 N5 2.289(11) . ?
Cd8 O42 2.295(7) . ?
Cd8 O14 2.312(7) . ?
Cd8 O41 2.389(8) . ?
Cd8 O13 2.570(8) . ?
Cd9 O69 2.254(7) . ?
Cd9 O23 2.326(8) . ?
Cd9 O50 2.329(7) 14 ?
Cd9 O19 2.345(8) . ?
Cd9 N12 2.345(9) . ?
Cd9 O20 2.548(7) . ?
Cd9 O49 2.636(8) 14 ?
Cd10 O64 2.270(8) . ?
Cd10 O66 2.277(7) . ?
Cd10 O15 2.328(7) . ?
Cd10 N8 2.342(9) . ?
Cd10 O59 2.348(8) . ?
Cd10 O63 2.449(8) . ?
Cd11 O23 2.302(8) . ?
Cd11 O71 2.310(8) . ?
Cd11 O72 2.336(8) . ?
Cd11 O69 2.354(9) . ?
Cd11 O51 2.394(8) 14 ?
Cd11 O24 2.503(8) . ?
Cd11 O70 2.590(8) . ?
Cd11 C180 2.701(13) . ?
Cd12 O60 2.185(9) . ?
Cd12 O11 2.254(8) . ?
Cd12 O62 2.301(9) . ?
Cd12 O57 2.326(8) . ?
Cd12 O63 2.425(8) . ?
Cd12 O12 2.475(8) . ?
Cd12 C168 2.670(13) . ?
Cd12 C170 2.745(14) . ?
N1 C8 1.350(15) . ?
N1 C9 1.525(13) . ?
N2 C15 1.340(13) . ?
N2 C14 1.479(13) . ?
N3 C30 1.350(15) . ?
N3 C31 1.513(13) . ?
N4 C37 1.297(13) . ?
N4 C36 1.592(14) . ?
N5 C52 1.266(14) . ?
N5 C53 1.531(14) . ?
N6 C59 1.333(12) . ?
N6 C58 1.446(11) . ?
N7 C74 1.283(12) . ?
N7 C75 1.561(10) . ?
N8 C81 1.366(12) . ?
N8 C80 1.514(12) . ?
N9 C96 1.405(13) . ?
N9 C97 1.467(11) . ?
N10 C103 1.328(12) . ?
N10 C102 1.635(13) . ?
N11 C118 1.269(13) . ?
N11 C119 1.480(11) . ?
N11 Cd6 2.330(9) 14 ?
N12 C125 1.315(14) . ?
N12 C124 1.483(11) . ?
O1 C2 1.287(15) . ?
O1 C1 1.400(13) . ?
O2 C7 1.402(14) . ?
O3 C21 1.273(17) . ?
O4 C20 1.461(15) . ?
O4 C22 1.470(12) . ?
O5 C24 1.418(15) . ?
O5 C23 1.449(13) . ?
O6 C29 1.271(14) . ?
O7 C43 1.327(13) . ?
O8 C42 1.446(14) . ?
O8 C44 1.461(14) . ?
O9 C46 1.362(15) . ?
O9 C45 1.484(13) . ?
O10 C51 1.333(14) . ?
O11 C65 1.397(13) . ?
O12 C66 1.390(11) . ?
O12 C64 1.413(13) . ?
O13 C68 1.400(12) . ?
O13 C67 1.431(11) . ?
O14 C73 1.266(13) . ?
O15 C87 1.227(15) . ?
O16 C86 1.404(13) . ?
O16 C88 1.481(10) . ?
O17 C90 1.436(14) . ?
O17 C89 1.465(11) . ?
O18 C95 1.286(13) . ?
O19 C109 1.294(13) . ?
O20 C108 1.365(14) . ?
O20 C110 1.428(10) . ?
O21 C112 1.326(15) . ?
O21 C111 1.427(10) . ?
O21 Cd7 2.522(8) 14 ?
O22 C117 1.300(14) . ?
O22 Cd6 2.229(8) 14 ?
O22 Cd7 2.291(8) 14 ?
O23 C131 1.352(14) . ?
O24 C130 1.337(13) . ?
O24 C132 1.488(11) . ?
O25 C134 1.350(15) . ?
O26 C134 1.307(15) . ?
O27 C136 1.319(14) . ?
O28 C138 1.332(13) . ?
O29 C138 1.276(13) . ?
O30 C140 1.282(12) . ?
O30 Cd3 2.402(8) 14 ?
O31 C140 1.289(12) . ?
O32 C142 1.326(13) . ?
O33 C142 1.297(15) . ?
O34 C144 1.245(13) . ?
O35 C144 1.262(13) . ?
O36 C146 1.337(12) . ?
O37 C146 1.287(13) . ?
O38 C148 1.265(13) . ?
O39 C148 1.261(13) . ?
O40 C152 1.280(12) . ?
O41 C152 1.275(12) . ?
O42 C150 1.424(16) . ?
O43 C150 1.382(16) . ?
O44 C154 1.159(12) . ?
O45 C154 1.327(12) . ?
O46 C156 1.286(13) . ?
O47 C156 1.301(14) . ?
O48 C136 1.369(14) 14 ?
O48 Cd7 2.443(8) 14 ?
O49 C158 1.332(12) . ?
O49 Cd9 2.636(8) 14 ?
O50 C158 1.264(13) . ?
O50 Cd9 2.329(7) 14 ?
O50 Ho1 2.418(7) 14 ?
O51 C178 1.314(13) 14 ?
O51 Cd11 2.394(8) 14 ?
O52 C160 1.338(12) . ?
O53 C160 1.171(13) . ?
O54 C162 1.401(11) . ?
O55 C162 1.108(12) . ?
O56 C166 1.264(15) . ?
O57 C166 1.342(14) . ?
O58 C164 1.336(15) . ?
O59 C164 1.383(14) . ?
O60 C168 1.219(13) . ?
O61 C168 1.361(13) . ?
O62 C170 1.193(13) . ?
O63 C170 1.354(12) . ?
O64 C172 1.270(14) . ?
O65 C172 1.209(14) . ?
O66 C174 1.250(13) . ?
O67 C174 1.372(14) . ?
O68 C176 1.248(14) . ?
O69 C176 1.341(14) . ?
O70 C180 1.304(12) . ?
O71 C180 1.167(13) . ?
O72 C178 1.389(14) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.394(17) . ?
C2 C7 1.422(17) . ?
C3 C4 1.328(16) . ?
C3 H3A 0.9300 . ?
C4 C5 1.482(9) . ?
C4 H4A 0.9300 . ?
C5 C6 1.463(16) . ?
C5 H5A 0.9300 . ?
C6 C8 1.424(17) . ?
C6 C7 1.491(17) . ?
C8 H8A 0.9300 . ?
C9 C10 1.597(8) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C11 1.572(15) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.562(14) . ?
C11 H11B 0.9700 . ?
C11 H11C 0.9700 . ?
C12 C13 1.526(13) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.584(14) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.462(15) . ?
C15 H15A 0.9300 . ?
C16 C21 1.443(18) . ?
C16 C17 1.450(16) . ?
C17 C18 1.401(15) . ?
C17 H17A 0.9300 . ?
C18 C19 1.322(15) . ?
C18 H18A 0.9300 . ?
C19 C20 1.431(17) . ?
C19 H19A 0.9300 . ?
C20 C21 1.379(18) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 C29 1.367(16) . ?
C24 C25 1.405(17) . ?
C25 C26 1.354(17) . ?
C25 H25A 0.9300 . ?
C26 C27 1.418(16) . ?
C26 H26A 0.9300 . ?
C27 C28 1.473(17) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C28 C29 1.430(16) . ?
C28 C30 1.475(9) . ?
C30 H30A 0.9300 . ?
C31 C32 1.633(13) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 C33 1.618(14) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C33 C34 1.539(13) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C34 C35 1.513(13) . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C35 C36 1.585(13) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C37 C38 1.417(16) . ?
C37 H37A 0.9300 . ?
C38 C43 1.370(16) . ?
C38 C39 1.466(16) . ?
C39 C40 1.442(16) . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C40 C41 1.443(17) . ?
C40 H40A 0.9300 . ?
C41 C42 1.414(17) . ?
C41 H41A 0.9300 . ?
C42 C43 1.452(17) . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C46 C47 1.346(18) . ?
C46 C51 1.515(17) . ?
C47 C48 1.400(17) . ?
C47 H47A 0.9300 . ?
C48 C49 1.392(9) . ?
C48 H48B 0.9300 . ?
C49 C50 1.422(18) . ?
C49 H49A 0.9300 . ?
C50 C52 1.475(7) . ?
C50 C51 1.502(17) . ?
C52 H52A 0.9300 . ?
C53 C54 1.556(17) . ?
C53 H53A 0.9700 . ?
C53 H53B 0.9700 . ?
C54 C55 1.607(19) . ?
C54 H54A 0.9700 . ?
C54 H54B 0.9700 . ?
C55 C56 1.521(9) . ?
C55 H55A 0.9700 . ?
C55 H55B 0.9700 . ?
C56 C57 1.611(9) . ?
C56 H56A 0.9700 . ?
C56 H56B 0.9700 . ?
C57 C58 1.513(9) . ?
C57 H57A 0.9700 . ?
C57 H57B 0.9700 . ?
C58 H58A 0.9700 . ?
C58 H58B 0.9700 . ?
C59 C60 1.457(13) . ?
C59 H59A 0.9300 . ?
C60 C65 1.386(15) . ?
C60 C61 1.415(16) . ?
C61 C62 1.391(16) . ?
C61 H61A 0.9300 . ?
C62 C63 1.322(15) . ?
C62 H62A 0.9300 . ?
C63 C64 1.355(16) . ?
C63 H63A 0.9300 . ?
C64 C65 1.444(16) . ?
C66 H66A 0.9600 . ?
C66 H66B 0.9600 . ?
C66 H66C 0.9600 . ?
C67 H67A 0.9600 . ?
C67 H67B 0.9600 . ?
C67 H67C 0.9600 . ?
C68 C69 1.428(9) . ?
C68 C73 1.451(14) . ?
C69 C70 1.485(17) . ?
C69 H69A 0.9700 . ?
C69 H69B 0.9700 . ?
C70 C71 1.398(16) . ?
C70 H70A 0.9300 . ?
C71 C72 1.361(16) . ?
C71 H71A 0.9300 . ?
C72 C73 1.397(15) . ?
C72 C74 1.450(15) . ?
C74 H74A 0.9300 . ?
C75 C76 1.584(14) . ?
C75 H75A 0.9700 . ?
C75 H75B 0.9700 . ?
C76 C77 1.581(14) . ?
C76 H76A 0.9700 . ?
C76 H76B 0.9700 . ?
C77 C78 1.466(13) . ?
C77 H77A 0.9700 . ?
C77 H77B 0.9700 . ?
C78 C79 1.552(13) . ?
C78 H78A 0.9700 . ?
C78 H78B 0.9700 . ?
C79 C80 1.638(13) . ?
C79 H79A 0.9700 . ?
C79 H79B 0.9700 . ?
C80 H80A 0.9700 . ?
C80 H80B 0.9700 . ?
C81 C82 1.420(15) . ?
C81 H81A 0.9300 . ?
C82 C87 1.458(17) . ?
C82 C83 1.477(17) . ?
C83 C84 1.332(15) . ?
C83 H83A 0.9300 . ?
C84 C85 1.353(15) . ?
C84 H84A 0.9300 . ?
C85 C86 1.483(9) . ?
C85 H85A 0.9300 . ?
C86 C87 1.473(7) . ?
C88 H88A 0.9600 . ?
C88 H88B 0.9600 . ?
C88 H88C 0.9600 . ?
C89 H89A 0.9600 . ?
C89 H89B 0.9600 . ?
C89 H89C 0.9600 . ?
C90 C91 1.352(15) . ?
C90 C95 1.460(16) . ?
C91 C92 1.394(15) . ?
C91 H91A 0.9300 . ?
C92 C93 1.393(16) . ?
C92 H92A 0.9300 . ?
C93 C94 1.334(17) . ?
C93 H93A 0.9300 . ?
C94 C95 1.409(15) . ?
C94 C96 1.465(15) . ?
C96 H96A 0.9300 . ?
C97 C98 1.509(12) . ?
C97 H97A 0.9700 . ?
C97 H97B 0.9700 . ?
C98 C99 1.618(14) . ?
C98 H98A 0.9700 . ?
C98 H98B 0.9700 . ?
C99 C100 1.478(13) . ?
C99 H99A 0.9700 . ?
C99 H99B 0.9700 . ?
C100 C101 1.508(13) . ?
C100 H10C 0.9700 . ?
C100 H10D 0.9700 . ?
C101 C102 1.453(13) . ?
C101 H10E 0.9700 . ?
C101 H10F 0.9700 . ?
C102 H10G 0.9700 . ?
C102 H10H 0.9700 . ?
C103 C104 1.490(15) . ?
C103 H10I 0.9300 . ?
C104 C109 1.333(15) . ?
C104 C105 1.489(16) . ?
C105 C106 1.374(15) . ?
C105 H10J 0.9300 . ?
C106 C107 1.369(15) . ?
C106 H10K 0.9300 . ?
C107 C108 1.447(16) . ?
C107 H10L 0.9300 . ?
C108 C109 1.428(15) . ?
C110 H11D 0.9600 . ?
C110 H11E 0.9600 . ?
C110 H11F 0.9600 . ?
C111 H11G 0.9600 . ?
C111 H11H 0.9600 . ?
C111 H11I 0.9600 . ?
C112 C113 1.357(17) . ?
C112 C117 1.441(17) . ?
C113 C114 1.440(15) . ?
C113 H11J 0.9300 . ?
C114 C115 1.427(17) . ?
C114 H11K 0.9300 . ?
C115 C116 1.418(17) . ?
C115 H11L 0.9300 . ?
C116 C117 1.393(15) . ?
C116 C118 1.451(15) . ?
C118 H11M 0.9300 . ?
C119 C120 1.558(14) . ?
C119 H11N 0.9700 . ?
C119 H11O 0.9700 . ?
C120 C121 1.587(9) . ?
C120 H12C 0.9700 . ?
C120 H12D 0.9700 . ?
C121 C122 1.508(16) . ?
C121 H12E 0.9700 . ?
C121 H12F 0.9700 . ?
C122 C123 1.609(14) . ?
C122 H12G 0.9700 . ?
C122 H12H 0.9700 . ?
C123 C124 1.490(13) . ?
C123 H12I 0.9700 . ?
C123 H12J 0.9700 . ?
C124 H12K 0.9700 . ?
C124 H12L 0.9700 . ?
C125 C126 1.471(15) . ?
C125 H12M 0.9300 . ?
C126 C131 1.412(16) . ?
C126 C127 1.441(16) . ?
C127 C128 1.378(16) . ?
C127 H12N 0.9300 . ?
C128 C129 1.425(9) . ?
C128 H12O 0.9300 . ?
C129 C130 1.429(7) . ?
C129 H12P 0.9700 . ?
C129 H12Q 0.9700 . ?
C130 C131 1.345(16) . ?
C132 H13C 0.9600 . ?
C132 H13D 0.9600 . ?
C132 H13E 0.9600 . ?
C133 C134 1.503(9) . ?
C133 H13F 0.9600 . ?
C133 H13G 0.9600 . ?
C133 H13H 0.9600 . ?
C135 C136 1.490(9) . ?
C135 H13I 0.9600 . ?
C135 H13J 0.9600 . ?
C135 H13K 0.9600 . ?
C136 O48 1.370(14) 14 ?
C137 C138 1.490(14) . ?
C137 H13M 0.9600 . ?
C137 H13N 0.9600 . ?
C137 H13O 0.9600 . ?
C139 C140 1.517(8) . ?
C139 H13P 0.9600 . ?
C139 H13Q 0.9600 . ?
C139 H13R 0.9600 . ?
C141 C142 1.486(14) . ?
C141 H14C 0.9600 . ?
C141 H14D 0.9600 . ?
C141 H14E 0.9600 . ?
C143 C144 1.436(9) . ?
C143 H14F 0.9600 . ?
C143 H14G 0.9600 . ?
C143 H14H 0.9600 . ?
C145 C146 1.494(14) . ?
C145 H14I 0.9600 . ?
C145 H14J 0.9600 . ?
C145 H14K 0.9600 . ?
C147 C148 1.495(8) . ?
C147 H14L 0.9600 . ?
C147 H14M 0.9600 . ?
C147 H14N 0.9600 . ?
C149 C150 1.441(16) . ?
C149 H14O 0.9600 . ?
C149 H14P 0.9600 . ?
C149 H14Q 0.9600 . ?
C151 C152 1.609(15) . ?
C151 H15B 0.9600 . ?
C151 H15C 0.9600 . ?
C151 H15D 0.9600 . ?
C153 C154 1.546(15) . ?
C153 H15E 0.9600 . ?
C153 H15F 0.9600 . ?
C153 H15G 0.9600 . ?
C155 C156 1.517(13) . ?
C155 H15H 0.9600 . ?
C155 H15I 0.9600 . ?
C155 H15J 0.9600 . ?
C157 C158 1.502(8) . ?
C157 H15K 0.9600 . ?
C157 H15L 0.9600 . ?
C157 H15M 0.9600 . ?
C159 C160 1.764(14) . ?
C159 H15N 0.9600 . ?
C159 H15O 0.9600 . ?
C159 H15P 0.9600 . ?
C161 C162 1.590(15) . ?
C161 H16A 0.9600 . ?
C161 H16B 0.9600 . ?
C161 H16C 0.9600 . ?
C163 C164 1.436(14) . ?
C163 H16D 0.9600 . ?
C163 H16E 0.9600 . ?
C163 H16F 0.9600 . ?
C165 C166 1.594(16) . ?
C165 H16G 0.9600 . ?
C165 H16H 0.9600 . ?
C165 H16I 0.9600 . ?
C167 C168 1.496(9) . ?
C167 H16J 0.9600 . ?
C167 H16K 0.9600 . ?
C167 H16L 0.9600 . ?
C169 C170 1.511(14) . ?
C169 H16M 0.9600 . ?
C169 H16N 0.9600 . ?
C169 H16O 0.9600 . ?
C171 C172 1.558(15) . ?
C171 H17B 0.9600 . ?
C171 H17C 0.9600 . ?
C171 H17D 0.9600 . ?
C173 C174 1.499(8) . ?
C173 H17E 0.9600 . ?
C173 H17F 0.9600 . ?
C173 H17G 0.9600 . ?
C175 C176 1.498(9) . ?
C175 H17H 0.9600 . ?
C175 H17I 0.9600 . ?
C175 H17J 0.9600 . ?
C177 C178 1.505(9) . ?
C177 H17K 0.9600 . ?
C177 H17L 0.9600 . ?
C177 H17M 0.9600 . ?
C178 O51 1.314(13) 14 ?
C179 C180 1.537(14) . ?
C179 H17O 0.9600 . ?
C179 H17P 0.9600 . ?
C179 H17Q 0.9600 . ?

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
O67 Ho1 O15 85.3(3) . . ?
O67 Ho1 O65 72.9(3) . . ?
O15 Ho1 O65 79.2(3) . . ?
O67 Ho1 O19 120.0(3) . . ?
O15 Ho1 O19 126.5(3) . . ?
O65 Ho1 O19 149.7(3) . . ?
O67 Ho1 O68 140.4(3) . . ?
O15 Ho1 O68 110.1(3) . . ?
O65 Ho1 O68 74.6(3) . . ?
O19 Ho1 O68 80.6(3) . . ?
O67 Ho1 O50 80.7(3) . 14 ?
O15 Ho1 O50 163.0(2) . 14 ?
O65 Ho1 O50 87.5(3) . 14 ?
O19 Ho1 O50 69.5(3) . 14 ?
O68 Ho1 O50 75.9(3) . 14 ?
O67 Ho1 N10 76.3(3) . . ?
O15 Ho1 N10 72.9(3) . . ?
O65 Ho1 N10 139.7(3) . . ?
O19 Ho1 N10 69.7(3) . . ?
O68 Ho1 N10 142.4(3) . . ?
O50 Ho1 N10 112.6(3) 14 . ?
O67 Ho1 O16 144.7(3) . . ?
O15 Ho1 O16 63.4(2) . . ?
O65 Ho1 O16 113.5(3) . . ?
O19 Ho1 O16 73.0(3) . . ?
O68 Ho1 O16 70.4(2) . . ?
O50 Ho1 O16 132.6(2) 14 . ?
N10 Ho1 O16 79.0(3) . . ?
O67 Ho1 Cd9 113.8(2) . . ?
O15 Ho1 Cd9 159.23(16) . . ?
O65 Ho1 Cd9 113.2(2) . . ?
O19 Ho1 Cd9 37.4(2) . . ?
O68 Ho1 Cd9 60.8(2) . . ?
O50 Ho1 Cd9 37.51(16) 14 . ?
N10 Ho1 Cd9 102.6(2) . . ?
O16 Ho1 Cd9 95.94(18) . . ?
O46 Ho2 O44 75.2(3) . . ?
O46 Ho2 O18 86.0(3) . . ?
O44 Ho2 O18 77.9(3) . . ?
O46 Ho2 O41 78.2(3) . . ?
O44 Ho2 O41 85.4(3) . . ?
O18 Ho2 O41 159.5(3) . . ?
O46 Ho2 O14 114.7(3) . . ?
O44 Ho2 O14 150.5(3) . . ?
O18 Ho2 O14 128.7(3) . . ?
O41 Ho2 O14 70.6(3) . . ?
O46 Ho2 O43 142.6(3) . . ?
O44 Ho2 O43 76.2(3) . . ?
O18 Ho2 O43 111.0(3) . . ?
O41 Ho2 O43 75.9(3) . . ?
O14 Ho2 O43 81.3(3) . . ?
O46 Ho2 N7 75.9(3) . . ?
O44 Ho2 N7 140.1(3) . . ?
O18 Ho2 N7 73.2(3) . . ?
O41 Ho2 N7 114.7(3) . . ?
O14 Ho2 N7 68.1(3) . . ?
O43 Ho2 N7 140.0(3) . . ?
O46 Ho2 O17 143.6(3) . . ?
O44 Ho2 O17 111.2(3) . . ?
O18 Ho2 O17 62.0(2) . . ?
O41 Ho2 O17 136.7(3) . . ?
O14 Ho2 O17 78.0(3) . . ?
O43 Ho2 O17 70.3(3) . . ?
N7 Ho2 O17 78.4(3) . . ?
O46 Ho2 Cd8 109.9(2) . . ?
O44 Ho2 Cd8 114.23(19) . . ?
O18 Ho2 Cd8 161.66(19) . . ?
O41 Ho2 Cd8 38.67(19) . . ?
O14 Ho2 Cd8 36.74(17) . . ?
O43 Ho2 Cd8 61.93(19) . . ?
N7 Ho2 Cd8 101.2(2) . . ?
O17 Ho2 Cd8 99.96(17) . . ?
O53 Ho3 O55 75.9(3) . . ?
O53 Ho3 O3 86.4(3) . . ?
O55 Ho3 O3 77.9(3) . . ?
O53 Ho3 O56 144.3(3) . . ?
O55 Ho3 O56 74.5(3) . . ?
O3 Ho3 O56 106.3(3) . . ?
O53 Ho3 O7 117.0(3) . . ?
O55 Ho3 O7 148.6(3) . . ?
O3 Ho3 O7 128.8(3) . . ?
O56 Ho3 O7 81.2(3) . . ?
O53 Ho3 O58 80.1(3) . . ?
O55 Ho3 O58 85.4(3) . . ?
O3 Ho3 O58 160.7(3) . . ?
O56 Ho3 O58 78.1(3) . . ?
O7 Ho3 O58 70.1(3) . . ?
O53 Ho3 O4 142.1(3) . . ?
O55 Ho3 O4 116.0(3) . . ?
O3 Ho3 O4 63.5(3) . . ?
O56 Ho3 O4 70.5(3) . . ?
O7 Ho3 O4 72.6(3) . . ?
O58 Ho3 O4 134.1(3) . . ?
O53 Ho3 N4 74.8(4) . . ?
O55 Ho3 N4 140.8(3) . . ?
O3 Ho3 N4 74.7(3) . . ?
O56 Ho3 N4 140.3(4) . . ?
O7 Ho3 N4 69.6(3) . . ?
O58 Ho3 N4 114.3(3) . . ?
O4 Ho3 N4 75.3(3) . . ?
O53 Ho3 Cd4 111.9(2) . . ?
O55 Ho3 Cd4 112.19(19) . . ?
O3 Ho3 Cd4 160.5(2) . . ?
O56 Ho3 Cd4 63.1(2) . . ?
O7 Ho3 Cd4 37.3(2) . . ?
O58 Ho3 Cd4 37.80(19) . . ?
O4 Ho3 Cd4 97.0(2) . . ?
N4 Ho3 Cd4 102.7(3) . . ?
O6 Ho4 O2 127.0(3) . . ?
O6 Ho4 O29 108.6(3) . . ?
O2 Ho4 O29 83.3(3) . . ?
O6 Ho4 O32 86.6(3) . . ?
O2 Ho4 O32 115.8(3) . . ?
O29 Ho4 O32 141.9(3) . . ?
O6 Ho4 O34 78.6(3) . . ?
O2 Ho4 O34 150.3(3) . . ?
O29 Ho4 O34 73.1(3) . . ?
O32 Ho4 O34 76.3(3) . . ?
O6 Ho4 O31 160.8(3) . . ?
O2 Ho4 O31 71.7(3) . . ?
O29 Ho4 O31 75.1(3) . . ?
O32 Ho4 O31 80.1(3) . . ?
O34 Ho4 O31 84.8(3) . . ?
O6 Ho4 O5 62.9(3) . . ?
O2 Ho4 O5 74.5(3) . . ?
O29 Ho4 O5 70.5(3) . . ?
O32 Ho4 O5 144.0(3) . . ?
O34 Ho4 O5 112.6(3) . . ?
O31 Ho4 O5 133.9(3) . . ?
O6 Ho4 N1 71.0(3) . . ?
O2 Ho4 N1 69.7(4) . . ?
O29 Ho4 N1 142.0(3) . . ?
O32 Ho4 N1 75.6(3) . . ?
O34 Ho4 N1 139.4(4) . . ?
O31 Ho4 N1 118.1(3) . . ?
O5 Ho4 N1 76.7(3) . . ?
O6 Ho4 Cd6 160.8(2) . . ?
O2 Ho4 Cd6 38.4(2) . . ?
O29 Ho4 Cd6 63.0(2) . . ?
O32 Ho4 Cd6 110.8(2) . . ?
O34 Ho4 Cd6 112.7(2) . . ?
O31 Ho4 Cd6 37.76(15) . . ?
O5 Ho4 Cd6 98.0(2) . . ?
N1 Ho4 Cd6 104.4(3) . . ?
O35 Cd1 O33 92.8(3) . . ?
O35 Cd1 N3 170.0(3) . . ?
O33 Cd1 N3 95.2(3) . . ?
O35 Cd1 O6 106.3(3) . . ?
O33 Cd1 O6 95.2(3) . . ?
N3 Cd1 O6 79.1(4) . . ?
O35 Cd1 O40 88.2(3) . . ?
O33 Cd1 O40 94.7(3) . . ?
N3 Cd1 O40 85.1(4) . . ?
O6 Cd1 O40 162.0(3) . . ?
O35 Cd1 O36 84.2(3) . . ?
O33 Cd1 O36 176.4(3) . . ?
N3 Cd1 O36 88.0(3) . . ?
O6 Cd1 O36 83.8(3) . . ?
O40 Cd1 O36 87.2(3) . . ?
O54 Cd2 O3 107.1(3) . . ?
O54 Cd2 N2 169.8(3) . . ?
O3 Cd2 N2 80.7(4) . . ?
O54 Cd2 O52 88.8(3) . . ?
O3 Cd2 O52 93.5(3) . . ?
N2 Cd2 O52 97.3(3) . . ?
O54 Cd2 O51 86.7(3) . . ?
O3 Cd2 O51 85.1(3) . . ?
N2 Cd2 O51 87.6(3) . . ?
O52 Cd2 O51 174.6(3) . . ?
O54 Cd2 O49 86.9(3) . . ?
O3 Cd2 O49 164.0(3) . . ?
N2 Cd2 O49 84.5(4) . . ?
O52 Cd2 O49 94.7(3) . . ?
O51 Cd2 O49 88.0(3) . . ?
O45 Cd3 N9 168.7(3) . . ?
O45 Cd3 O18 103.8(3) . . ?
N9 Cd3 O18 79.6(3) . . ?
O45 Cd3 O48 85.0(3) . . ?
N9 Cd3 O48 84.6(3) . . ?
O18 Cd3 O48 85.4(3) . . ?
O45 Cd3 O47 92.0(3) . . ?
N9 Cd3 O47 98.5(3) . . ?
O18 Cd3 O47 95.4(3) . . ?
O48 Cd3 O47 176.9(3) . . ?
O45 Cd3 O30 89.3(3) . 14 ?
N9 Cd3 O30 85.8(3) . 14 ?
O18 Cd3 O30 163.5(3) . 14 ?
O48 Cd3 O30 85.8(3) . 14 ?
O47 Cd3 O30 94.2(3) . 14 ?
O11 Cd4 N6 84.6(4) . . ?
O11 Cd4 O57 76.6(3) . . ?
N6 Cd4 O57 161.2(3) . . ?
O11 Cd4 O7 149.9(3) . . ?
N6 Cd4 O7 98.4(3) . . ?
O57 Cd4 O7 97.6(3) . . ?
O11 Cd4 O58 136.3(3) . . ?
N6 Cd4 O58 107.5(3) . . ?
O57 Cd4 O58 87.0(3) . . ?
O7 Cd4 O58 71.5(3) . . ?
O11 Cd4 O8 84.7(3) . . ?
N6 Cd4 O8 85.9(3) . . ?
O57 Cd4 O8 91.6(3) . . ?
O7 Cd4 O8 65.8(3) . . ?
O58 Cd4 O8 136.8(3) . . ?
O11 Cd4 Ho3 154.9(2) . . ?
N6 Cd4 Ho3 120.4(3) . . ?
O57 Cd4 Ho3 78.4(2) . . ?
O7 Cd4 Ho3 37.7(2) . . ?
O58 Cd4 Ho3 38.86(18) . . ?
O8 Cd4 Ho3 98.7(2) . . ?
O10 Cd5 O38 102.2(3) . . ?
O10 Cd5 O37 145.3(3) . . ?
O38 Cd5 O37 102.4(3) . . ?
O10 Cd5 O42 77.0(3) . . ?
O38 Cd5 O42 118.4(3) . . ?
O37 Cd5 O42 111.3(3) . . ?
O10 Cd5 O36 92.9(3) . . ?
O38 Cd5 O36 153.6(3) . . ?
O37 Cd5 O36 55.8(3) . . ?
O42 Cd5 O36 85.8(3) . . ?
O10 Cd5 O9 65.5(4) . . ?
O38 Cd5 O9 78.1(3) . . ?
O37 Cd5 O9 96.4(4) . . ?
O42 Cd5 O9 141.8(3) . . ?
O36 Cd5 O9 89.0(3) . . ?
O10 Cd5 O39 128.5(3) . . ?
O38 Cd5 O39 52.5(3) . . ?
O37 Cd5 O39 86.1(3) . . ?
O42 Cd5 O39 79.7(3) . . ?
O36 Cd5 O39 130.4(3) . . ?
O9 Cd5 O39 129.5(3) . . ?
O22 Cd6 O31 135.7(3) 14 . ?
O22 Cd6 O28 77.3(3) 14 . ?
O31 Cd6 O28 87.6(3) . . ?
O22 Cd6 N11 83.0(3) 14 14 ?
O31 Cd6 N11 109.1(3) . 14 ?
O28 Cd6 N11 160.0(3) . 14 ?
O22 Cd6 O2 150.2(3) 14 . ?
O31 Cd6 O2 72.4(3) . . ?
O28 Cd6 O2 98.0(3) . . ?
N11 Cd6 O2 97.5(3) 14 . ?
O22 Cd6 O1 84.5(3) 14 . ?
O31 Cd6 O1 136.9(3) . . ?
O28 Cd6 O1 88.0(3) . . ?
N11 Cd6 O1 87.0(3) 14 . ?
O2 Cd6 O1 65.8(3) . . ?
O22 Cd6 Ho4 157.1(2) 14 . ?
O31 Cd6 Ho4 39.91(18) . . ?
O28 Cd6 Ho4 79.9(2) . . ?
N11 Cd6 Ho4 119.9(2) 14 . ?
O2 Cd6 Ho4 36.97(19) . . ?
O1 Cd6 Ho4 97.2(3) . . ?
O25 Cd7 O22 99.3(3) . 14 ?
O25 Cd7 O28 111.9(3) . . ?
O22 Cd7 O28 76.0(3) 14 . ?
O25 Cd7 O27 105.2(3) . . ?
O22 Cd7 O27 144.6(3) 14 . ?
O28 Cd7 O27 116.4(3) . . ?
O25 Cd7 O48 158.0(3) . 14 ?
O22 Cd7 O48 92.4(3) 14 14 ?
O28 Cd7 O48 88.9(3) . 14 ?
O27 Cd7 O48 56.9(3) . 14 ?
O25 Cd7 O21 80.3(3) . 14 ?
O22 Cd7 O21 66.9(3) 14 14 ?
O28 Cd7 O21 142.5(3) . 14 ?
O27 Cd7 O21 92.3(3) . 14 ?
O48 Cd7 O21 87.4(3) 14 14 ?
O25 Cd7 O26 52.9(3) . . ?
O22 Cd7 O26 128.0(3) 14 . ?
O28 Cd7 O26 77.0(3) . . ?
O27 Cd7 O26 87.4(3) . . ?
O48 Cd7 O26 130.5(3) 14 . ?
O21 Cd7 O26 131.0(3) 14 . ?
O10 Cd8 N5 81.3(4) . . ?
O10 Cd8 O42 78.1(3) . . ?
N5 Cd8 O42 159.4(4) . . ?
O10 Cd8 O14 150.4(3) . . ?
N5 Cd8 O14 98.8(4) . . ?
O42 Cd8 O14 98.2(3) . . ?
O10 Cd8 O41 136.8(3) . . ?
N5 Cd8 O41 111.4(4) . . ?
O42 Cd8 O41 85.0(3) . . ?
O14 Cd8 O41 70.9(3) . . ?
O10 Cd8 O13 83.3(3) . . ?
N5 Cd8 O13 87.7(3) . . ?
O42 Cd8 O13 88.4(3) . . ?
O14 Cd8 O13 67.2(2) . . ?
O41 Cd8 O13 136.1(3) . . ?
O10 Cd8 Ho2 156.1(2) . . ?
N5 Cd8 Ho2 122.5(3) . . ?
O42 Cd8 Ho2 78.1(2) . . ?
O14 Cd8 Ho2 37.64(19) . . ?
O41 Cd8 Ho2 38.07(18) . . ?
O13 Cd8 Ho2 98.10(18) . . ?
O69 Cd9 O23 77.7(3) . . ?
O69 Cd9 O50 89.7(3) . 14 ?
O23 Cd9 O50 137.8(3) . 14 ?
O69 Cd9 O19 98.2(3) . . ?
O23 Cd9 O19 150.2(3) . . ?
O50 Cd9 O19 70.8(2) 14 . ?
O69 Cd9 N12 157.8(3) . . ?
O23 Cd9 N12 81.5(3) . . ?
O50 Cd9 N12 111.1(3) 14 . ?
O19 Cd9 N12 96.0(3) . . ?
O69 Cd9 O20 87.9(3) . . ?
O23 Cd9 O20 84.1(3) . . ?
O50 Cd9 O20 136.2(3) 14 . ?
O19 Cd9 O20 66.3(3) . . ?
N12 Cd9 O20 82.3(3) . . ?
O69 Cd9 O49 80.1(3) . 14 ?
O23 Cd9 O49 86.5(3) . 14 ?
O50 Cd9 O49 51.5(2) 14 14 ?
O19 Cd9 O49 122.2(3) . 14 ?
N12 Cd9 O49 106.4(3) . 14 ?
O20 Cd9 O49 166.1(2) . 14 ?
O69 Cd9 Ho1 79.8(2) . . ?
O23 Cd9 Ho1 157.4(2) . . ?
O50 Cd9 Ho1 39.22(18) 14 . ?
O19 Cd9 Ho1 37.12(18) . . ?
N12 Cd9 Ho1 121.1(2) . . ?
O20 Cd9 Ho1 97.54(19) . . ?
O49 Cd9 Ho1 87.33(18) 14 . ?
O64 Cd10 O66 90.3(3) . . ?
O64 Cd10 O15 108.0(3) . . ?
O66 Cd10 O15 94.5(3) . . ?
O64 Cd10 N8 171.2(3) . . ?
O66 Cd10 N8 95.1(3) . . ?
O15 Cd10 N8 78.5(3) . . ?
O64 Cd10 O59 88.6(3) . . ?
O66 Cd10 O59 97.3(3) . . ?
O15 Cd10 O59 159.5(3) . . ?
N8 Cd10 O59 83.8(3) . . ?
O64 Cd10 O63 84.6(3) . . ?
O66 Cd10 O63 173.1(3) . . ?
O15 Cd10 O63 82.7(2) . . ?
N8 Cd10 O63 90.5(3) . . ?
O59 Cd10 O63 87.2(3) . . ?
O23 Cd11 O71 99.1(3) . . ?
O23 Cd11 O72 143.0(3) . . ?
O71 Cd11 O72 105.9(3) . . ?
O23 Cd11 O69 76.2(3) . . ?
O71 Cd11 O69 109.1(3) . . ?
O72 Cd11 O69 118.9(3) . . ?
O23 Cd11 O51 92.4(3) . 14 ?
O71 Cd11 O51 161.2(3) . 14 ?
O72 Cd11 O51 57.4(3) . 14 ?
O69 Cd11 O51 88.0(3) . 14 ?
O23 Cd11 O24 64.5(3) . . ?
O71 Cd11 O24 81.4(3) . . ?
O72 Cd11 O24 92.5(3) . . ?
O69 Cd11 O24 140.6(3) . . ?
O51 Cd11 O24 90.3(3) 14 . ?
O23 Cd11 O70 133.9(3) . . ?
O71 Cd11 O70 53.9(3) . . ?
O72 Cd11 O70 83.2(3) . . ?
O69 Cd11 O70 79.3(3) . . ?
O51 Cd11 O70 125.3(3) 14 . ?
O24 Cd11 O70 131.0(3) . . ?
O23 Cd11 C180 117.0(3) . . ?
O71 Cd11 C180 25.4(3) . . ?
O72 Cd11 C180 96.3(3) . . ?
O69 Cd11 C180 94.8(3) . . ?
O51 Cd11 C180 150.4(3) 14 . ?
O24 Cd11 C180 105.4(3) . . ?
O70 Cd11 C180 28.4(3) . . ?
O60 Cd12 O11 98.0(3) . . ?
O60 Cd12 O62 112.8(3) . . ?
O11 Cd12 O62 142.9(3) . . ?
O60 Cd12 O57 96.1(3) . . ?
O11 Cd12 O57 75.6(3) . . ?
O62 Cd12 O57 118.8(3) . . ?
O60 Cd12 O63 167.1(3) . . ?
O11 Cd12 O63 94.8(3) . . ?
O62 Cd12 O63 54.8(3) . . ?
O57 Cd12 O63 88.2(3) . . ?
O60 Cd12 O12 87.3(3) . . ?
O11 Cd12 O12 65.4(3) . . ?
O62 Cd12 O12 95.0(3) . . ?
O57 Cd12 O12 141.0(3) . . ?
O63 Cd12 O12 97.0(3) . . ?
O60 Cd12 C168 26.8(3) . . ?
O11 Cd12 C168 117.0(3) . . ?
O62 Cd12 C168 99.2(3) . . ?
O57 Cd12 C168 83.1(3) . . ?
O63 Cd12 C168 143.4(3) . . ?
O12 Cd12 C168 112.0(3) . . ?
O60 Cd12 C170 137.8(2) . . ?
O11 Cd12 C170 122.6(2) . . ?
O62 Cd12 C170 25.4(2) . . ?
O57 Cd12 C170 104.1(3) . . ?
O63 Cd12 C170 29.5(2) . . ?
O12 Cd12 C170 98.8(3) . . ?
C168 Cd12 C170 120.0(4) . . ?
C8 N1 C9 106.4(12) . . ?
C8 N1 Ho4 134.2(11) . . ?
C9 N1 Ho4 119.2(9) . . ?
C15 N2 C14 119.7(12) . . ?
C15 N2 Cd2 122.8(9) . . ?
C14 N2 Cd2 117.5(9) . . ?
C30 N3 C31 115.2(13) . . ?
C30 N3 Cd1 122.9(10) . . ?
C31 N3 Cd1 120.3(9) . . ?
C37 N4 C36 112.5(12) . . ?
C37 N4 Ho3 130.8(10) . . ?
C36 N4 Ho3 115.9(8) . . ?
C52 N5 C53 116.6(14) . . ?
C52 N5 Cd8 128.8(12) . . ?
C53 N5 Cd8 113.9(9) . . ?
C59 N6 C58 117.1(10) . . ?
C59 N6 Cd4 122.3(9) . . ?
C58 N6 Cd4 119.7(8) . . ?
C74 N7 C75 111.6(7) . . ?
C74 N7 Ho2 127.4(6) . . ?
C75 N7 Ho2 119.1(5) . . ?
C81 N8 C80 117.5(8) . . ?
C81 N8 Cd10 124.9(6) . . ?
C80 N8 Cd10 117.0(5) . . ?
C96 N9 C97 114.7(8) . . ?
C96 N9 Cd3 124.3(6) . . ?
C97 N9 Cd3 120.5(5) . . ?
C103 N10 C102 107.0(7) . . ?
C103 N10 Ho1 129.9(5) . . ?
C102 N10 Ho1 120.4(5) . . ?
C118 N11 C119 118.3(8) . . ?
C118 N11 Cd6 126.9(7) . 14 ?
C119 N11 Cd6 114.6(5) . 14 ?
C125 N12 C124 122.4(8) . . ?
C125 N12 Cd9 124.3(7) . . ?
C124 N12 Cd9 113.2(5) . . ?
C2 O1 C1 115.9(13) . . ?
C2 O1 Cd6 117.7(10) . . ?
C1 O1 Cd6 120.5(9) . . ?
C7 O2 Ho4 139.7(9) . . ?
C7 O2 Cd6 114.0(9) . . ?
Ho4 O2 Cd6 104.6(3) . . ?
C21 O3 Ho3 126.3(11) . . ?
C21 O3 Cd2 118.3(11) . . ?
Ho3 O3 Cd2 115.3(4) . . ?
C20 O4 C22 117.4(12) . . ?
C20 O4 Ho3 113.8(10) . . ?
C22 O4 Ho3 128.8(8) . . ?
C24 O5 C23 115.6(12) . . ?
C24 O5 Ho4 115.0(9) . . ?
C23 O5 Ho4 129.2(8) . . ?
C29 O6 Ho4 123.8(10) . . ?
C29 O6 Cd1 121.9(10) . . ?
Ho4 O6 Cd1 114.1(4) . . ?
C43 O7 Cd4 118.3(9) . . ?
C43 O7 Ho3 136.5(9) . . ?
Cd4 O7 Ho3 105.0(4) . . ?
C42 O8 C44 114.5(13) . . ?
C42 O8 Cd4 114.6(9) . . ?
C44 O8 Cd4 122.4(9) . . ?
C46 O9 C45 102.8(13) . . ?
C46 O9 Cd5 122.7(11) . . ?
C45 O9 Cd5 121.6(8) . . ?
C51 O10 Cd5 121.0(9) . . ?
C51 O10 Cd8 133.2(10) . . ?
Cd5 O10 Cd8 103.8(4) . . ?
C65 O11 Cd4 127.6(7) . . ?
C65 O11 Cd12 124.9(7) . . ?
Cd4 O11 Cd12 105.6(3) . . ?
C66 O12 C64 116.6(8) . . ?
C66 O12 Cd12 118.4(5) . . ?
C64 O12 Cd12 121.5(7) . . ?
C68 O13 C67 121.9(8) . . ?
C68 O13 Cd8 111.1(6) . . ?
C67 O13 Cd8 126.8(5) . . ?
C73 O14 Cd8 123.0(6) . . ?
C73 O14 Ho2 127.1(6) . . ?
Cd8 O14 Ho2 105.6(3) . . ?
C87 O15 Ho1 125.9(7) . . ?
C87 O15 Cd10 118.9(7) . . ?
Ho1 O15 Cd10 114.4(3) . . ?
C86 O16 C88 111.5(7) . . ?
C86 O16 Ho1 115.6(6) . . ?
C88 O16 Ho1 132.8(5) . . ?
C90 O17 C89 113.1(9) . . ?
C90 O17 Ho2 116.5(7) . . ?
C89 O17 Ho2 129.2(5) . . ?
C95 O18 Cd3 122.5(6) . . ?
C95 O18 Ho2 122.5(6) . . ?
Cd3 O18 Ho2 115.0(3) . . ?
C109 O19 Ho1 130.5(7) . . ?
C109 O19 Cd9 121.2(7) . . ?
Ho1 O19 Cd9 105.5(3) . . ?
C108 O20 C110 117.1(8) . . ?
C108 O20 Cd9 112.5(7) . . ?
C110 O20 Cd9 128.8(5) . . ?
C112 O21 C111 119.2(10) . . ?
C112 O21 Cd7 112.3(9) . 14 ?
C111 O21 Cd7 115.8(5) . 14 ?
C117 O22 Cd6 130.5(8) . 14 ?
C117 O22 Cd7 123.0(8) . 14 ?
Cd6 O22 Cd7 105.3(3) 14 14 ?
C131 O23 Cd11 121.2(8) . . ?
C131 O23 Cd9 133.2(8) . . ?
Cd11 O23 Cd9 102.7(3) . . ?
C130 O24 C132 115.0(8) . . ?
C130 O24 Cd11 115.5(7) . . ?
C132 O24 Cd11 122.2(5) . . ?
C134 O25 Cd7 104.0(6) . . ?
C134 O26 Cd7 92.1(6) . . ?
C136 O27 Cd7 96.3(6) . . ?
C138 O28 Cd6 122.4(6) . . ?
C138 O28 Cd7 135.7(6) . . ?
Cd6 O28 Cd7 101.3(3) . . ?
C138 O29 Ho4 151.0(6) . . ?
C140 O30 Cd3 133.7(5) . 14 ?
C140 O31 Cd6 104.2(5) . . ?
C140 O31 Ho4 144.4(5) . . ?
Cd6 O31 Ho4 102.3(3) . . ?
C142 O32 Ho4 139.3(6) . . ?
C142 O33 Cd1 131.5(6) . . ?
C144 O34 Ho4 164.7(6) . . ?
C144 O35 Cd1 113.4(6) . . ?
C146 O36 Cd5 90.7(6) . . ?
C146 O36 Cd1 133.7(6) . . ?
Cd5 O36 Cd1 134.8(3) . . ?
C146 O37 Cd5 98.2(6) . . ?
C148 O38 Cd5 101.5(6) . . ?
C148 O39 Cd5 90.8(6) . . ?
C152 O40 Cd1 130.5(6) . . ?
C152 O41 Ho2 144.9(6) . . ?
C152 O41 Cd8 100.8(6) . . ?
Ho2 O41 Cd8 103.3(3) . . ?
C150 O42 Cd8 135.1(6) . . ?
C150 O42 Cd5 123.6(6) . . ?
Cd8 O42 Cd5 100.7(3) . . ?
C150 O43 Ho2 152.2(6) . . ?
C154 O44 Ho2 159.8(6) . . ?
C154 O45 Cd3 106.9(5) . . ?
C156 O46 Ho2 144.2(6) . . ?
C156 O47 Cd3 130.0(6) . . ?
C136 O48 Cd3 132.9(6) 14 . ?
C136 O48 Cd7 90.7(6) 14 14 ?
Cd3 O48 Cd7 136.4(4) . 14 ?
C158 O49 Cd2 132.6(5) . . ?
C158 O49 Cd9 88.9(6) . 14 ?
Cd2 O49 Cd9 135.5(3) . 14 ?
C158 O50 Cd9 105.4(5) . 14 ?
C158 O50 Ho1 142.3(5) . 14 ?
Cd9 O50 Ho1 103.3(3) 14 14 ?
C178 O51 Cd2 130.0(6) 14 . ?
C178 O51 Cd11 93.7(6) 14 14 ?
Cd2 O51 Cd11 136.2(3) . 14 ?
C160 O52 Cd2 122.0(5) . . ?
C160 O53 Ho3 139.6(6) . . ?
C162 O54 Cd2 105.6(5) . . ?
C162 O55 Ho3 170.3(6) . . ?
C166 O56 Ho3 142.8(6) . . ?
C166 O57 Cd4 122.2(6) . . ?
C166 O57 Cd12 134.3(7) . . ?
Cd4 O57 Cd12 102.1(3) . . ?
C164 O58 Cd4 109.9(6) . . ?
C164 O58 Ho3 137.5(6) . . ?
Cd4 O58 Ho3 103.3(3) . . ?
C164 O59 Cd10 131.5(6) . . ?
C168 O60 Cd12 99.4(6) . . ?
C170 O62 Cd12 98.6(6) . . ?
C170 O63 Cd12 88.5(6) . . ?
C170 O63 Cd10 137.8(6) . . ?
Cd12 O63 Cd10 133.7(4) . . ?
C172 O64 Cd10 108.6(7) . . ?
C172 O65 Ho1 168.4(7) . . ?
C174 O66 Cd10 132.4(6) . . ?
C174 O67 Ho1 142.0(5) . . ?
C176 O68 Ho1 149.2(6) . . ?
C176 O69 Cd9 124.3(5) . . ?
C176 O69 Cd11 131.0(6) . . ?
Cd9 O69 Cd11 103.3(3) . . ?
C180 O70 Cd11 80.5(6) . . ?
C180 O71 Cd11 96.4(6) . . ?
C178 O72 Cd11 94.3(5) . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O1 C2 C3 127.7(17) . . ?
O1 C2 C7 112.9(17) . . ?
C3 C2 C7 119.4(17) . . ?
C4 C3 C2 117.2(17) . . ?
C4 C3 H3A 121.4 . . ?
C2 C3 H3A 121.4 . . ?
C3 C4 C5 128.7(16) . . ?
C3 C4 H4A 115.7 . . ?
C5 C4 H4A 115.7 . . ?
C6 C5 C4 116.2(15) . . ?
C6 C5 H5A 121.9 . . ?
C4 C5 H5A 121.9 . . ?
C8 C6 C5 115.4(17) . . ?
C8 C6 C7 131.6(16) . . ?
C5 C6 C7 112.9(15) . . ?
O2 C7 C2 121.4(16) . . ?
O2 C7 C6 112.9(15) . . ?
C2 C7 C6 125.4(16) . . ?
N1 C8 C6 118.6(16) . . ?
N1 C8 H8A 120.7 . . ?
C6 C8 H8A 120.7 . . ?
N1 C9 C10 107.0(10) . . ?
N1 C9 H9A 110.3 . . ?
C10 C9 H9A 110.3 . . ?
N1 C9 H9B 110.3 . . ?
C10 C9 H9B 110.3 . . ?
H9A C9 H9B 108.6 . . ?
C11 C10 C9 111.4(12) . . ?
C11 C10 H10A 109.4 . . ?
C9 C10 H10A 109.3 . . ?
C11 C10 H10B 109.3 . . ?
C9 C10 H10B 109.3 . . ?
H10A C10 H10B 108.0 . . ?
C12 C11 C10 107.6(12) . . ?
C12 C11 H11B 110.2 . . ?
C10 C11 H11B 110.2 . . ?
C12 C11 H11C 110.2 . . ?
C10 C11 H11C 110.2 . . ?
H11B C11 H11C 108.5 . . ?
C13 C12 C11 109.9(12) . . ?
C13 C12 H12A 109.7 . . ?
C11 C12 H12A 109.7 . . ?
C13 C12 H12B 109.7 . . ?
C11 C12 H12B 109.7 . . ?
H12A C12 H12B 108.2 . . ?
C12 C13 C14 107.7(11) . . ?
C12 C13 H13A 110.2 . . ?
C14 C13 H13A 110.2 . . ?
C12 C13 H13B 110.2 . . ?
C14 C13 H13B 110.2 . . ?
H13A C13 H13B 108.5 . . ?
N2 C14 C13 105.1(11) . . ?
N2 C14 H14A 110.7 . . ?
C13 C14 H14A 110.7 . . ?
N2 C14 H14B 110.7 . . ?
C13 C14 H14B 110.7 . . ?
H14A C14 H14B 108.8 . . ?
N2 C15 C16 128.5(14) . . ?
N2 C15 H15A 115.8 . . ?
C16 C15 H15A 115.8 . . ?
C21 C16 C17 126.7(16) . . ?
C21 C16 C15 119.0(16) . . ?
C17 C16 C15 113.4(15) . . ?
C18 C17 C16 114.6(15) . . ?
C18 C17 H17A 122.7 . . ?
C16 C17 H17A 122.7 . . ?
C19 C18 C17 123.5(16) . . ?
C19 C18 H18A 118.2 . . ?
C17 C18 H18A 118.2 . . ?
C18 C19 C20 116.4(16) . . ?
C18 C19 H19A 121.8 . . ?
C20 C19 H19A 121.8 . . ?
C21 C20 C19 129.8(18) . . ?
C21 C20 O4 111.6(16) . . ?
C19 C20 O4 118.6(17) . . ?
O3 C21 C20 117.9(17) . . ?
O3 C21 C16 133.7(18) . . ?
C20 C21 C16 108.0(18) . . ?
O4 C22 H22A 109.5 . . ?
O4 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
O4 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O5 C23 H23A 109.5 . . ?
O5 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
O5 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C29 C24 C25 125.1(18) . . ?
C29 C24 O5 110.0(16) . . ?
C25 C24 O5 124.9(16) . . ?
C26 C25 C24 118.6(17) . . ?
C26 C25 H25A 120.7 . . ?
C24 C25 H25A 120.7 . . ?
C25 C26 C27 125.5(17) . . ?
C25 C26 H26A 117.2 . . ?
C27 C26 H26A 117.2 . . ?
C26 C27 C28 110.0(16) . . ?
C26 C27 H27A 109.7 . . ?
C28 C27 H27A 109.7 . . ?
C26 C27 H27B 109.7 . . ?
C28 C27 H27B 109.7 . . ?
H27A C27 H27B 108.2 . . ?
C29 C28 C27 127.5(15) . . ?
C29 C28 C30 124.0(16) . . ?
C27 C28 C30 107.8(16) . . ?
O6 C29 C24 120.3(17) . . ?
O6 C29 C28 127.3(16) . . ?
C24 C29 C28 112.4(16) . . ?
N3 C30 C28 125.7(16) . . ?
N3 C30 H30A 117.1 . . ?
C28 C30 H30A 117.1 . . ?
N3 C31 C32 102.3(10) . . ?
N3 C31 H31A 111.3 . . ?
C32 C31 H31A 111.3 . . ?
N3 C31 H31B 111.3 . . ?
C32 C31 H31B 111.3 . . ?
H31A C31 H31B 109.2 . . ?
C33 C32 C31 104.7(11) . . ?
C33 C32 H32A 110.8 . . ?
C31 C32 H32A 110.8 . . ?
C33 C32 H32B 110.8 . . ?
C31 C32 H32B 110.8 . . ?
H32A C32 H32B 108.9 . . ?
C34 C33 C32 106.6(11) . . ?
C34 C33 H33A 110.4 . . ?
C32 C33 H33A 110.4 . . ?
C34 C33 H33B 110.4 . . ?
C32 C33 H33B 110.4 . . ?
H33A C33 H33B 108.6 . . ?
C35 C34 C33 105.4(11) . . ?
C35 C34 H34A 110.7 . . ?
C33 C34 H34A 110.7 . . ?
C35 C34 H34B 110.7 . . ?
C33 C34 H34B 110.7 . . ?
H34A C34 H34B 108.8 . . ?
C34 C35 C36 108.5(12) . . ?
C34 C35 H35A 110.0 . . ?
C36 C35 H35A 110.0 . . ?
C34 C35 H35B 110.0 . . ?
C36 C35 H35B 110.0 . . ?
H35A C35 H35B 108.4 . . ?
C35 C36 N4 105.5(11) . . ?
C35 C36 H36A 110.6 . . ?
N4 C36 H36A 110.6 . . ?
C35 C36 H36B 110.6 . . ?
N4 C36 H36B 110.6 . . ?
H36A C36 H36B 108.8 . . ?
N4 C37 C38 122.0(15) . . ?
N4 C37 H37A 119.0 . . ?
C38 C37 H37A 119.0 . . ?
C43 C38 C37 128.4(17) . . ?
C43 C38 C39 115.9(16) . . ?
C37 C38 C39 115.7(16) . . ?
C40 C39 C38 133.5(15) . . ?
C40 C39 H39A 103.8 . . ?
C38 C39 H39A 103.8 . . ?
C40 C39 H39B 103.8 . . ?
C38 C39 H39B 103.8 . . ?
H39A C39 H39B 105.4 . . ?
C39 C40 C41 105.3(14) . . ?
C39 C40 H40A 127.4 . . ?
C41 C40 H40A 127.4 . . ?
C42 C41 C40 124.5(16) . . ?
C42 C41 H41A 117.8 . . ?
C40 C41 H41A 117.8 . . ?
C41 C42 O8 126.5(16) . . ?
C41 C42 C43 124.8(16) . . ?
O8 C42 C43 108.7(16) . . ?
O7 C43 C38 121.4(15) . . ?
O7 C43 C42 122.3(15) . . ?
C38 C43 C42 115.6(16) . . ?
O8 C44 H44A 109.5 . . ?
O8 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
O8 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
O9 C45 H45A 109.5 . . ?
O9 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
O9 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C47 C46 O9 140.3(18) . . ?
C47 C46 C51 114.9(17) . . ?
O9 C46 C51 104.4(16) . . ?
C46 C47 C48 127.2(19) . . ?
C46 C47 H47A 116.4 . . ?
C48 C47 H47A 116.4 . . ?
C49 C48 C47 121.9(19) . . ?
C49 C48 H48B 119.0 . . ?
C47 C48 H48B 119.0 . . ?
C48 C49 C50 116.2(17) . . ?
C48 C49 H49A 121.9 . . ?
C50 C49 H49A 121.9 . . ?
C49 C50 C52 113.3(16) . . ?
C49 C50 C51 122.4(16) . . ?
C52 C50 C51 124.1(17) . . ?
O10 C51 C50 121.7(16) . . ?
O10 C51 C46 121.4(16) . . ?
C50 C51 C46 116.8(15) . . ?
N5 C52 C50 129.7(17) . . ?
N5 C52 H52A 115.2 . . ?
C50 C52 H52A 115.2 . . ?
N5 C53 C54 99.8(12) . . ?
N5 C53 H53A 111.8 . . ?
C54 C53 H53A 111.8 . . ?
N5 C53 H53B 111.8 . . ?
C54 C53 H53B 111.8 . . ?
H53A C53 H53B 109.5 . . ?
C53 C54 C55 108.9(15) . . ?
C53 C54 H54A 109.9 . . ?
C55 C54 H54A 109.9 . . ?
C53 C54 H54B 109.9 . . ?
C55 C54 H54B 109.9 . . ?
H54A C54 H54B 108.3 . . ?
C56 C55 C54 121.5(16) . . ?
C56 C55 H55A 107.0 . . ?
C54 C55 H55A 107.0 . . ?
C56 C55 H55B 107.0 . . ?
C54 C55 H55B 107.0 . . ?
H55A C55 H55B 106.7 . . ?
C55 C56 C57 114.4(15) . . ?
C55 C56 H56A 108.7 . . ?
C57 C56 H56A 108.7 . . ?
C55 C56 H56B 108.7 . . ?
C57 C56 H56B 108.7 . . ?
H56A C56 H56B 107.6 . . ?
C58 C57 C56 101.3(12) . . ?
C58 C57 H57A 111.5 . . ?
C56 C57 H57A 111.5 . . ?
C58 C57 H57B 111.5 . . ?
C56 C57 H57B 111.5 . . ?
H57A C57 H57B 109.3 . . ?
N6 C58 C57 103.6(11) . . ?
N6 C58 H58A 111.0 . . ?
C57 C58 H58A 111.0 . . ?
N6 C58 H58B 111.0 . . ?
C57 C58 H58B 111.0 . . ?
H58A C58 H58B 109.0 . . ?
N6 C59 C60 135.7(13) . . ?
N6 C59 H59A 112.2 . . ?
C60 C59 H59A 112.2 . . ?
C65 C60 C61 121.8(14) . . ?
C65 C60 C59 120.1(14) . . ?
C61 C60 C59 118.0(14) . . ?
C62 C61 C60 115.3(15) . . ?
C62 C61 H61A 122.3 . . ?
C60 C61 H61A 122.3 . . ?
C63 C62 C61 129.2(17) . . ?
C63 C62 H62A 115.4 . . ?
C61 C62 H62A 115.4 . . ?
C62 C63 C64 111.9(16) . . ?
C62 C63 H63A 124.1 . . ?
C64 C63 H63A 124.1 . . ?
C63 C64 O12 123.0(14) . . ?
C63 C64 C65 128.2(14) . . ?
O12 C64 C65 108.8(14) . . ?
C60 C65 O11 127.8(15) . . ?
C60 C65 C64 113.5(13) . . ?
O11 C65 C64 118.1(14) . . ?
O12 C66 H66A 109.5 . . ?
O12 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
O12 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
O13 C67 H67A 109.5 . . ?
O13 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
O13 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
O13 C68 C69 117.1(13) . . ?
O13 C68 C73 116.9(11) . . ?
C69 C68 C73 125.1(12) . . ?
C68 C69 C70 115.5(13) . . ?
C68 C69 H69A 108.4 . . ?
C70 C69 H69A 108.4 . . ?
C68 C69 H69B 108.4 . . ?
C70 C69 H69B 108.4 . . ?
H69A C69 H69B 107.5 . . ?
C71 C70 C69 117.8(15) . . ?
C71 C70 H70A 121.1 . . ?
C69 C70 H70A 121.1 . . ?
C72 C71 C70 121.9(17) . . ?
C72 C71 H71A 119.1 . . ?
C70 C71 H71A 119.1 . . ?
C71 C72 C73 125.8(16) . . ?
C71 C72 C74 114.4(15) . . ?
C73 C72 C74 119.8(15) . . ?
O14 C73 C72 128.1(14) . . ?
O14 C73 C68 119.1(12) . . ?
C72 C73 C68 112.8(13) . . ?
N7 C74 C72 124.3(13) . . ?
N7 C74 H74A 117.8 . . ?
C72 C74 H74A 117.8 . . ?
N7 C75 C76 104.3(9) . . ?
N7 C75 H75A 110.9 . . ?
C76 C75 H75A 110.9 . . ?
N7 C75 H75B 110.9 . . ?
C76 C75 H75B 110.9 . . ?
H75A C75 H75B 108.9 . . ?
C77 C76 C75 108.4(12) . . ?
C77 C76 H76A 110.0 . . ?
C75 C76 H76A 110.0 . . ?
C77 C76 H76B 110.0 . . ?
C75 C76 H76B 110.0 . . ?
H76A C76 H76B 108.4 . . ?
C78 C77 C76 111.0(12) . . ?
C78 C77 H77A 109.4 . . ?
C76 C77 H77A 109.4 . . ?
C78 C77 H77B 109.4 . . ?
C76 C77 H77B 109.4 . . ?
H77A C77 H77B 108.0 . . ?
C77 C78 C79 110.4(11) . . ?
C77 C78 H78A 109.6 . . ?
C79 C78 H78A 109.6 . . ?
C77 C78 H78B 109.6 . . ?
C79 C78 H78B 109.6 . . ?
H78A C78 H78B 108.1 . . ?
C78 C79 C80 105.7(10) . . ?
C78 C79 H79A 110.6 . . ?
C80 C79 H79A 110.6 . . ?
C78 C79 H79B 110.6 . . ?
C80 C79 H79B 110.6 . . ?
H79A C79 H79B 108.7 . . ?
N8 C80 C79 106.3(9) . . ?
N8 C80 H80A 110.5 . . ?
C79 C80 H80A 110.5 . . ?
N8 C80 H80B 110.5 . . ?
C79 C80 H80B 110.5 . . ?
H80A C80 H80B 108.7 . . ?
N8 C81 C82 123.1(13) . . ?
N8 C81 H81A 118.4 . . ?
C82 C81 H81A 118.4 . . ?
C81 C82 C87 124.4(16) . . ?
C81 C82 C83 110.0(16) . . ?
C87 C82 C83 125.5(14) . . ?
C84 C83 C82 121.1(16) . . ?
C84 C83 H83A 119.4 . . ?
C82 C83 H83A 119.4 . . ?
C83 C84 C85 115.9(15) . . ?
C83 C84 H84A 122.1 . . ?
C85 C84 H84A 122.1 . . ?
C84 C85 C86 128.5(14) . . ?
C84 C85 H85A 115.8 . . ?
C86 C85 H85A 115.8 . . ?
O16 C86 C87 109.1(12) . . ?
O16 C86 C85 133.3(13) . . ?
C87 C86 C85 117.5(13) . . ?
O15 C87 C82 129.3(13) . . ?
O15 C87 C86 118.9(14) . . ?
C82 C87 C86 111.1(13) . . ?
O16 C88 H88A 109.5 . . ?
O16 C88 H88B 109.5 . . ?
H88A C88 H88B 109.5 . . ?
O16 C88 H88C 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
O17 C89 H89A 109.5 . . ?
O17 C89 H89B 109.5 . . ?
H89A C89 H89B 109.5 . . ?
O17 C89 H89C 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
C91 C90 O17 124.7(15) . . ?
C91 C90 C95 129.6(14) . . ?
O17 C90 C95 105.7(13) . . ?
C90 C91 C92 113.6(14) . . ?
C90 C91 H91A 123.2 . . ?
C92 C91 H91A 123.2 . . ?
C93 C92 C91 123.4(16) . . ?
C93 C92 H92A 118.3 . . ?
C91 C92 H92A 118.3 . . ?
C94 C93 C92 117.3(17) . . ?
C94 C93 H93A 121.3 . . ?
C92 C93 H93A 121.3 . . ?
C93 C94 C95 127.9(16) . . ?
C93 C94 C96 111.5(15) . . ?
C95 C94 C96 118.3(15) . . ?
O18 C95 C94 130.4(14) . . ?
O18 C95 C90 121.6(13) . . ?
C94 C95 C90 108.0(13) . . ?
N9 C96 C94 125.9(12) . . ?
N9 C96 H96A 117.0 . . ?
C94 C96 H96A 117.0 . . ?
N9 C97 C98 114.1(10) . . ?
N9 C97 H97A 108.7 . . ?
C98 C97 H97A 108.7 . . ?
N9 C97 H97B 108.7 . . ?
C98 C97 H97B 108.7 . . ?
H97A C97 H97B 107.6 . . ?
C97 C98 C99 113.9(11) . . ?
C97 C98 H98A 108.8 . . ?
C99 C98 H98A 108.8 . . ?
C97 C98 H98B 108.8 . . ?
C99 C98 H98B 108.8 . . ?
H98A C98 H98B 107.7 . . ?
C100 C99 C98 116.0(12) . . ?
C100 C99 H99A 108.3 . . ?
C98 C99 H99A 108.3 . . ?
C100 C99 H99B 108.3 . . ?
C98 C99 H99B 108.3 . . ?
H99A C99 H99B 107.4 . . ?
C99 C100 C101 108.8(11) . . ?
C99 C100 H10C 109.9 . . ?
C101 C100 H10C 109.9 . . ?
C99 C100 H10D 109.9 . . ?
C101 C100 H10D 109.9 . . ?
H10C C100 H10D 108.3 . . ?
C102 C101 C100 107.7(12) . . ?
C102 C101 H10E 110.2 . . ?
C100 C101 H10E 110.2 . . ?
C102 C101 H10F 110.2 . . ?
C100 C101 H10F 110.2 . . ?
H10E C101 H10F 108.5 . . ?
C101 C102 N10 107.3(11) . . ?
C101 C102 H10G 110.3 . . ?
N10 C102 H10G 110.3 . . ?
C101 C102 H10H 110.3 . . ?
N10 C102 H10H 110.3 . . ?
H10G C102 H10H 108.5 . . ?
N10 C103 C104 117.1(11) . . ?
N10 C103 H10I 121.5 . . ?
C104 C103 H10I 121.5 . . ?
C109 C104 C105 119.1(15) . . ?
C109 C104 C103 129.9(15) . . ?
C105 C104 C103 110.7(14) . . ?
C106 C105 C104 120.5(15) . . ?
C106 C105 H10J 119.7 . . ?
C104 C105 H10J 119.7 . . ?
C107 C106 C105 120.5(16) . . ?
C107 C106 H10K 119.8 . . ?
C105 C106 H10K 119.8 . . ?
C106 C107 C108 119.4(15) . . ?
C106 C107 H10L 120.3 . . ?
C108 C107 H10L 120.3 . . ?
O20 C108 C109 117.9(13) . . ?
O20 C108 C107 121.7(14) . . ?
C109 C108 C107 120.1(14) . . ?
O19 C109 C104 121.6(14) . . ?
O19 C109 C108 118.1(14) . . ?
C104 C109 C108 120.2(14) . . ?
O20 C110 H11D 109.5 . . ?
O20 C110 H11E 109.5 . . ?
H11D C110 H11E 109.5 . . ?
O20 C110 H11F 109.5 . . ?
H11D C110 H11F 109.5 . . ?
H11E C110 H11F 109.5 . . ?
O21 C111 H11G 109.5 . . ?
O21 C111 H11H 109.5 . . ?
H11G C111 H11H 109.5 . . ?
O21 C111 H11I 109.5 . . ?
H11G C111 H11I 109.5 . . ?
H11H C111 H11I 109.5 . . ?
O21 C112 C113 122.6(18) . . ?
O21 C112 C117 119.4(16) . . ?
C113 C112 C117 118.0(15) . . ?
C112 C113 C114 125.6(16) . . ?
C112 C113 H11J 117.2 . . ?
C114 C113 H11J 117.2 . . ?
C115 C114 C113 113.0(15) . . ?
C115 C114 H11K 123.5 . . ?
C113 C114 H11K 123.5 . . ?
C116 C115 C114 124.2(17) . . ?
C116 C115 H11L 117.9 . . ?
C114 C115 H11L 117.9 . . ?
C117 C116 C115 118.0(16) . . ?
C117 C116 C118 131.8(15) . . ?
C115 C116 C118 110.2(15) . . ?
O22 C117 C116 123.1(14) . . ?
O22 C117 C112 115.8(15) . . ?
C116 C117 C112 120.8(14) . . ?
N11 C118 C116 124.1(13) . . ?
N11 C118 H11M 118.0 . . ?
C116 C118 H11M 118.0 . . ?
N11 C119 C120 108.7(10) . . ?
N11 C119 H11N 110.0 . . ?
C120 C119 H11N 110.0 . . ?
N11 C119 H11O 110.0 . . ?
C120 C119 H11O 110.0 . . ?
H11N C119 H11O 108.3 . . ?
C119 C120 C121 110.6(12) . . ?
C119 C120 H12C 109.5 . . ?
C121 C120 H12C 109.5 . . ?
C119 C120 H12D 109.5 . . ?
C121 C120 H12D 109.5 . . ?
H12C C120 H12D 108.1 . . ?
C122 C121 C120 118.1(14) . . ?
C122 C121 H12E 107.8 . . ?
C120 C121 H12E 107.8 . . ?
C122 C121 H12F 107.8 . . ?
C120 C121 H12F 107.8 . . ?
H12E C121 H12F 107.1 . . ?
C121 C122 C123 110.0(12) . . ?
C121 C122 H12G 109.7 . . ?
C123 C122 H12G 109.7 . . ?
C121 C122 H12H 109.7 . . ?
C123 C122 H12H 109.7 . . ?
H12G C122 H12H 108.2 . . ?
C124 C123 C122 108.4(11) . . ?
C124 C123 H12I 110.0 . . ?
C122 C123 H12I 110.0 . . ?
C124 C123 H12J 110.0 . . ?
C122 C123 H12J 110.0 . . ?
H12I C123 H12J 108.4 . . ?
N12 C124 C123 107.4(10) . . ?
N12 C124 H12K 110.2 . . ?
C123 C124 H12K 110.2 . . ?
N12 C124 H12L 110.2 . . ?
C123 C124 H12L 110.2 . . ?
H12K C124 H12L 108.5 . . ?
N12 C125 C126 131.3(14) . . ?
N12 C125 H12M 114.4 . . ?
C126 C125 H12M 114.4 . . ?
C131 C126 C127 117.0(15) . . ?
C131 C126 C125 127.7(17) . . ?
C127 C126 C125 115.0(16) . . ?
C128 C127 C126 122.1(15) . . ?
C128 C127 H12N 119.0 . . ?
C126 C127 H12N 119.0 . . ?
C127 C128 C129 119.5(15) . . ?
C127 C128 H12O 120.2 . . ?
C129 C128 H12O 120.2 . . ?
C128 C129 C130 117.7(13) . . ?
C128 C129 H12P 107.9 . . ?
C130 C129 H12P 107.9 . . ?
C128 C129 H12Q 107.9 . . ?
C130 C129 H12Q 107.9 . . ?
H12P C129 H12Q 107.2 . . ?
O24 C130 C131 116.4(13) . . ?
O24 C130 C129 121.1(13) . . ?
C131 C130 C129 122.5(14) . . ?
C130 C131 O23 117.9(15) . . ?
C130 C131 C126 121.3(14) . . ?
O23 C131 C126 120.9(15) . . ?
O24 C132 H13C 109.5 . . ?
O24 C132 H13D 109.5 . . ?
H13C C132 H13D 109.5 . . ?
O24 C132 H13E 109.5 . . ?
H13C C132 H13E 109.5 . . ?
H13D C132 H13E 109.5 . . ?
C134 C133 H13F 109.5 . . ?
C134 C133 H13G 109.5 . . ?
H13F C133 H13G 109.5 . . ?
C134 C133 H13H 109.5 . . ?
H13F C133 H13H 109.5 . . ?
H13G C133 H13H 109.5 . . ?
O26 C134 O25 108.8(11) . . ?
O26 C134 C133 127.6(13) . . ?
O25 C134 C133 122.1(13) . . ?
C136 C135 H13I 109.5 . . ?
C136 C135 H13J 109.5 . . ?
H13I C135 H13J 109.5 . . ?
C136 C135 H13K 109.5 . . ?
H13I C135 H13K 109.5 . . ?
H13J C135 H13K 109.5 . . ?
O27 C136 O48 116.1(10) . 14 ?
O27 C136 C135 117.4(12) . . ?
O48 C136 C135 125.3(12) 14 . ?
C138 C137 H13M 109.5 . . ?
C138 C137 H13N 109.5 . . ?
H13M C137 H13N 109.5 . . ?
C138 C137 H13O 109.5 . . ?
H13M C137 H13O 109.5 . . ?
H13N C137 H13O 109.5 . . ?
O29 C138 O28 118.4(10) . . ?
O29 C138 C137 127.7(11) . . ?
O28 C138 C137 113.9(11) . . ?
C140 C139 H13P 109.5 . . ?
C140 C139 H13Q 109.5 . . ?
H13P C139 H13Q 109.5 . . ?
C140 C139 H13R 109.5 . . ?
H13P C139 H13R 109.5 . . ?
H13Q C139 H13R 109.5 . . ?
O30 C140 O31 118.6(9) . . ?
O30 C140 C139 117.2(10) . . ?
O31 C140 C139 124.1(10) . . ?
C142 C141 H14C 109.5 . . ?
C142 C141 H14D 109.5 . . ?
H14C C141 H14D 109.5 . . ?
C142 C141 H14E 109.5 . . ?
H14C C141 H14E 109.5 . . ?
H14D C141 H14E 109.5 . . ?
O33 C142 O32 124.3(11) . . ?
O33 C142 C141 123.1(11) . . ?
O32 C142 C141 112.3(11) . . ?
C144 C143 H14F 109.5 . . ?
C144 C143 H14G 109.5 . . ?
H14F C143 H14G 109.5 . . ?
C144 C143 H14H 109.5 . . ?
H14F C143 H14H 109.5 . . ?
H14G C143 H14H 109.5 . . ?
O34 C144 O35 119.0(11) . . ?
O34 C144 C143 119.8(12) . . ?
O35 C144 C143 121.2(12) . . ?
C146 C145 H14I 109.5 . . ?
C146 C145 H14J 109.5 . . ?
H14I C145 H14J 109.5 . . ?
C146 C145 H14K 109.5 . . ?
H14I C145 H14K 109.5 . . ?
H14J C145 H14K 109.5 . . ?
O37 C146 O36 114.6(11) . . ?
O37 C146 C145 122.8(11) . . ?
O36 C146 C145 122.7(11) . . ?
C148 C147 H14L 109.5 . . ?
C148 C147 H14M 109.5 . . ?
H14L C147 H14M 109.5 . . ?
C148 C147 H14N 109.5 . . ?
H14L C147 H14N 109.5 . . ?
H14M C147 H14N 109.5 . . ?
O39 C148 O38 114.5(10) . . ?
O39 C148 C147 121.9(11) . . ?
O38 C148 C147 122.1(12) . . ?
C150 C149 H14O 109.5 . . ?
C150 C149 H14P 109.5 . . ?
H14O C149 H14P 109.5 . . ?
C150 C149 H14Q 109.5 . . ?
H14O C149 H14Q 109.5 . . ?
H14P C149 H14Q 109.5 . . ?
O43 C150 O42 99.0(11) . . ?
O43 C150 C149 128.4(13) . . ?
O42 C150 C149 132.5(13) . . ?
C152 C151 H15B 109.5 . . ?
C152 C151 H15C 109.5 . . ?
H15B C151 H15C 109.5 . . ?
C152 C151 H15D 109.5 . . ?
H15B C151 H15D 109.5 . . ?
H15C C151 H15D 109.5 . . ?
O41 C152 O40 120.8(11) . . ?
O41 C152 C151 118.9(10) . . ?
O40 C152 C151 119.8(10) . . ?
C154 C153 H15E 109.5 . . ?
C154 C153 H15F 109.5 . . ?
H15E C153 H15F 109.5 . . ?
C154 C153 H15G 109.5 . . ?
H15E C153 H15G 109.5 . . ?
H15F C153 H15G 109.5 . . ?
O44 C154 O45 129.7(10) . . ?
O44 C154 C153 124.2(11) . . ?
O45 C154 C153 105.9(10) . . ?
C156 C155 H15H 109.5 . . ?
C156 C155 H15I 109.5 . . ?
H15H C155 H15I 109.5 . . ?
C156 C155 H15J 109.5 . . ?
H15H C155 H15J 109.5 . . ?
H15I C155 H15J 109.5 . . ?
O46 C156 O47 123.5(11) . . ?
O46 C156 C155 125.7(11) . . ?
O47 C156 C155 110.9(10) . . ?
C158 C157 H15K 109.5 . . ?
C158 C157 H15L 109.5 . . ?
H15K C157 H15L 109.5 . . ?
C158 C157 H15M 109.5 . . ?
H15K C157 H15M 109.5 . . ?
H15L C157 H15M 109.5 . . ?
O50 C158 O49 113.8(9) . . ?
O50 C158 C157 125.5(11) . . ?
O49 C158 C157 120.3(11) . . ?
C160 C159 H15N 109.5 . . ?
C160 C159 H15O 109.5 . . ?
H15N C159 H15O 109.5 . . ?
C160 C159 H15P 109.5 . . ?
H15N C159 H15P 109.5 . . ?
H15O C159 H15P 109.5 . . ?
O53 C160 O52 135.4(10) . . ?
O53 C160 C159 125.4(10) . . ?
O52 C160 C159 99.2(9) . . ?
C162 C161 H16A 109.5 . . ?
C162 C161 H16B 109.5 . . ?
H16A C161 H16B 109.5 . . ?
C162 C161 H16C 109.5 . . ?
H16A C161 H16C 109.5 . . ?
H16B C161 H16C 109.5 . . ?
O55 C162 O54 124.4(10) . . ?
O55 C162 C161 134.1(11) . . ?
O54 C162 C161 101.5(9) . . ?
C164 C163 H16D 109.5 . . ?
C164 C163 H16E 109.5 . . ?
H16D C163 H16E 109.5 . . ?
C164 C163 H16F 109.5 . . ?
H16D C163 H16F 109.5 . . ?
H16E C163 H16F 109.5 . . ?
O58 C164 O59 110.6(11) . . ?
O58 C164 C163 130.8(12) . . ?
O59 C164 C163 118.1(12) . . ?
C166 C165 H16G 109.5 . . ?
C166 C165 H16H 109.5 . . ?
H16G C165 H16H 109.5 . . ?
C166 C165 H16I 109.5 . . ?
H16G C165 H16I 109.5 . . ?
H16H C165 H16I 109.5 . . ?
O56 C166 O57 116.9(12) . . ?
O56 C166 C165 126.3(12) . . ?
O57 C166 C165 116.6(12) . . ?
C168 C167 H16J 109.5 . . ?
C168 C167 H16K 109.5 . . ?
H16J C167 H16K 109.5 . . ?
C168 C167 H16L 109.5 . . ?
H16J C167 H16L 109.5 . . ?
H16K C167 H16L 109.5 . . ?
O60 C168 O61 127.2(10) . . ?
O60 C168 C167 116.7(12) . . ?
O61 C168 C167 115.0(11) . . ?
O60 C168 Cd12 53.8(5) . . ?
O61 C168 Cd12 75.0(5) . . ?
C167 C168 Cd12 169.9(11) . . ?
C170 C169 H16M 109.5 . . ?
C170 C169 H16N 109.5 . . ?
H16M C169 H16N 109.5 . . ?
C170 C169 H16O 109.5 . . ?
H16M C169 H16O 109.5 . . ?
H16N C169 H16O 109.5 . . ?
O62 C170 O63 117.5(11) . . ?
O62 C170 C169 126.3(11) . . ?
O63 C170 C169 116.1(10) . . ?
O62 C170 Cd12 56.0(6) . . ?
O63 C170 Cd12 62.0(5) . . ?
C169 C170 Cd12 170.1(9) . . ?
C172 C171 H17B 109.5 . . ?
C172 C171 H17C 109.5 . . ?
H17B C171 H17C 109.5 . . ?
C172 C171 H17D 109.5 . . ?
H17B C171 H17D 109.5 . . ?
H17C C171 H17D 109.5 . . ?
O65 C172 O64 125.7(13) . . ?
O65 C172 C171 122.5(12) . . ?
O64 C172 C171 111.2(11) . . ?
C174 C173 H17E 109.5 . . ?
C174 C173 H17F 109.5 . . ?
H17E C173 H17F 109.5 . . ?
C174 C173 H17G 109.5 . . ?
H17E C173 H17G 109.5 . . ?
H17F C173 H17G 109.5 . . ?
O66 C174 O67 122.2(10) . . ?
O66 C174 C173 124.0(12) . . ?
O67 C174 C173 113.3(11) . . ?
C176 C175 H17H 109.5 . . ?
C176 C175 H17I 109.5 . . ?
H17H C175 H17I 109.5 . . ?
C176 C175 H17J 109.5 . . ?
H17H C175 H17J 109.5 . . ?
H17I C175 H17J 109.5 . . ?
O68 C176 O69 114.5(10) . . ?
O68 C176 C175 124.0(12) . . ?
O69 C176 C175 121.4(11) . . ?
C178 C177 H17K 109.5 . . ?
C178 C177 H17L 109.5 . . ?
H17K C177 H17L 109.5 . . ?
C178 C177 H17M 109.5 . . ?
H17K C177 H17M 109.5 . . ?
H17L C177 H17M 109.5 . . ?
O51 C178 O72 114.3(9) 14 . ?
O51 C178 C177 127.6(12) 14 . ?
O72 C178 C177 117.8(11) . . ?
C180 C179 H17O 109.5 . . ?
C180 C179 H17P 109.5 . . ?
H17O C179 H17P 109.5 . . ?
C180 C179 H17Q 109.5 . . ?
H17O C179 H17Q 109.5 . . ?
H17P C179 H17Q 109.5 . . ?
O71 C180 O70 129.2(11) . . ?
O71 C180 C179 120.6(11) . . ?
O70 C180 C179 110.1(11) . . ?
O71 C180 Cd11 58.2(6) . . ?
O70 C180 Cd11 71.0(6) . . ?
C179 C180 Cd11 174.1(9) . . ?

_diffrn_measured_fraction_theta_max 0.973
_diffrn_reflns_theta_full        24.90
_diffrn_measured_fraction_theta_full 0.973
_refine_diff_density_max         1.515
_refine_diff_density_min         -1.057
_refine_diff_density_rms         0.134
_database_code_depnum_ccdc_archive 'CCDC 1004328'
