# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_Eudbm4P
_database_code_depnum_ccdc_archive 'CCDC 1051982'
_audit_update_record             
;
2015-03-03 deposited with the CCDC.
2015-07-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            '[P8,8,8,1][Eu(dbm)4]'
_chemical_melting_point          ?
_chemical_formula_moiety         'C60 H44 Eu O8, C25 H54 P'
_chemical_formula_sum            'C85 H98 Eu O8 P'
_chemical_formula_weight         1436.24

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0024 0.0013 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0088 0.0050 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.0886 0.0796 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1701 3.1760 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

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

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

_cell_length_a                   32.475(2)
_cell_length_b                   22.412(3)
_cell_length_c                   20.852(3)
_cell_angle_alpha                90
_cell_angle_beta                 102.214(13)
_cell_angle_gamma                90
_cell_volume                     14833(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    120494
_cell_measurement_theta_min      0.589
_cell_measurement_theta_max      22.574

_exptl_crystal_description       'Thin needles'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.281
_exptl_crystal_F_000             6000
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    0.679
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?

_exptl_absorpt_correction_T_min  0.6855
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details   
;
        Parkin S,Moezzi B & Hope H, (1995) J. Appl. Cryst. 28, 53-56
        Cubic fit to sin(theta)/lambda - 24 parameters
;
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.6526
_diffrn_radiation_type           Synchrotron
_diffrn_source                   'Elettra Synchrotron - XRD1 BL'
_diffrn_measurement_device_type  
;
'Huber 4-circles Kappa Goniometer, Pilatus 2M detector'
;
_diffrn_measurement_method       'Rotating crystal'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            166768
_diffrn_reflns_av_unetI/netI     0.0215
_diffrn_reflns_av_R_equivalents  0.0318
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         0.589
_diffrn_reflns_theta_max         22.574
_diffrn_reflns_theta_full        22.574
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measured_fraction_theta_full 0.962
_diffrn_reflns_Laue_measured_fraction_max 0.962
_diffrn_reflns_Laue_measured_fraction_full 0.962
_diffrn_reflns_point_group_measured_fraction_max 0.962
_diffrn_reflns_point_group_measured_fraction_full 0.962
_reflns_number_total             24345
_reflns_number_gt                22945
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .


_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_decay_%        0


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

_computing_data_collection       'Elettra XRD1 Data Collection SW'
_computing_cell_refinement       XDS
_computing_data_reduction        'XDS - CCP4'
_computing_structure_solution    Sir2011
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Ortep3 for Windows'
_computing_publication_material  enCIFer/publCIF

_refine_special_details          
;
 Restrain on bond lenghts and angles (DFIX and DANG) have been 
 used. Soft thermal motion restrains (SIMU) have been applied to all 
 non-hydrogen atoms. Empirical absorption correction has been applied 
as implemented in the XABS2 program. Anisotropic thermal motion 
modelling was then applied to atoms with full occupancy. In the final 
refinement, all non-hydrogen atoms were treated anisotropically and 
the hydrogen atoms were included at calculated positions with isotropic 
Ufactors = 1.2 Ueq and Ufactors = 1.5 Ueq for methyl groups.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0465P)²+102.5059P] 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         24345
_refine_ls_number_parameters     1886
_refine_ls_number_restraints     3690
_refine_ls_R_factor_all          0.0632
_refine_ls_R_factor_gt           0.0607
_refine_ls_wR_factor_ref         0.1449
_refine_ls_wR_factor_gt          0.1434
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_restrained_S_all      1.006
_refine_ls_shift/su_max          0.019
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
EuA_1 Eu 0.05773(2) 0.24174(2) 0.14896(3) 0.01224(12) Uani 0.85 1 d . U P A 1
EuB_1 Eu 0.05611(10) 0.24233(13) 0.13187(12) 0.0071(7) Uiso 0.15 1 d . U P A 2
EuA_2 Eu 0.55455(2) 0.24513(2) 0.11318(2) 0.01314(8) Uani 0.85 1 d . U P B 1
EuB_2 Eu 0.55916(7) 0.24171(9) 0.14821(14) 0.0308(5) Uiso 0.15 1 d . U P C 2
C2BA_3 C 0.15020(18) 0.1984(3) -0.0755(3) 0.0348(13) Uani 0.65 1 d . U P D 1
H2B1_3 H 0.1509 0.2161 -0.1187 0.042 Uiso 0.65 1 calc R U P D 1
H2B2_3 H 0.1409 0.1564 -0.0823 0.042 Uiso 0.65 1 calc R U P D 1
C3BA_3 C 0.1950(3) 0.2013(5) -0.0298(5) 0.032(2) Uani 0.65 1 d . U P D 1
H3B1_3 H 0.2015 0.2431 -0.0159 0.038 Uiso 0.65 1 calc R U P D 1
H3B2_3 H 0.1951 0.1773 0.0101 0.038 Uiso 0.65 1 calc R U P D 1
C4BA_3 C 0.2292(3) 0.1780(5) -0.0635(5) 0.042(2) Uani 0.65 1 d . U P D 1
H4B1_3 H 0.2570 0.1850 -0.0342 0.051 Uiso 0.65 1 calc R U P D 1
H4B2_3 H 0.2283 0.2013 -0.1041 0.051 Uiso 0.65 1 calc R U P D 1
C5BA_3 C 0.2252(3) 0.1111(5) -0.0813(5) 0.039(2) Uani 0.65 1 d . U P D 1
H5B1_3 H 0.2442 0.1020 -0.1115 0.047 Uiso 0.65 1 calc R U P D 1
H5B2_3 H 0.1960 0.1030 -0.1051 0.047 Uiso 0.65 1 calc R U P D 1
C6BA_3 C 0.2361(3) 0.0690(5) -0.0212(5) 0.041(2) Uani 0.65 1 d . U P D 1
H6B1_3 H 0.2659 0.0749 0.0009 0.050 Uiso 0.65 1 calc R U P D 1
H6B2_3 H 0.2183 0.0795 0.0103 0.050 Uiso 0.65 1 calc R U P D 1
C7BA_3 C 0.2291(4) 0.0042(6) -0.0406(7) 0.041(3) Uani 0.65 1 d . U P D 1
H7B1_3 H 0.1990 -0.0014 -0.0618 0.049 Uiso 0.65 1 calc R U P D 1
H7B2_3 H 0.2460 -0.0054 -0.0735 0.049 Uiso 0.65 1 calc R U P D 1
C8BA_3 C 0.2403(3) -0.0393(4) 0.0153(5) 0.067(3) Uani 0.65 1 d . U P D 1
H8B1_3 H 0.2202 -0.0353 0.0442 0.100 Uiso 0.65 1 calc R U P D 1
H8B2_3 H 0.2688 -0.0308 0.0403 0.100 Uiso 0.65 1 calc R U P D 1
H8B3_3 H 0.2392 -0.0800 -0.0020 0.100 Uiso 0.65 1 calc R U P D 1
C2BB_3 C 0.15020(18) 0.1984(3) -0.0755(3) 0.0348(13) Uani 0.25 1 d . U P D 2
H2B3_3 H 0.1591 0.2245 -0.1084 0.042 Uiso 0.25 1 calc R U P D 2
H2B4_3 H 0.1350 0.1640 -0.0991 0.042 Uiso 0.25 1 calc R U P D 2
C3BB_3 C 0.1908(12) 0.1748(17) -0.0267(15) 0.032(6) Uiso 0.25 1 d . U P D 2
H3B3_3 H 0.2050 0.2079 0.0007 0.038 Uiso 0.25 1 calc R U P D 2
H3B4_3 H 0.1829 0.1440 0.0026 0.038 Uiso 0.25 1 calc R U P D 2
C4BB_3 C 0.2207(10) 0.1477(17) -0.0678(15) 0.044(6) Uiso 0.25 1 d . U P D 2
H4B3_3 H 0.2055 0.1164 -0.0970 0.053 Uiso 0.25 1 calc R U P D 2
H4B4_3 H 0.2291 0.1792 -0.0957 0.053 Uiso 0.25 1 calc R U P D 2
C5BB_3 C 0.2599(10) 0.1209(14) -0.0248(15) 0.056(6) Uiso 0.25 1 d . U P D 2
H5B3_3 H 0.2729 0.1518 0.0069 0.068 Uiso 0.25 1 calc R U P D 2
H5B4_3 H 0.2800 0.1121 -0.0532 0.068 Uiso 0.25 1 calc R U P D 2
C6BB_3 C 0.2551(12) 0.0614(16) 0.0160(19) 0.065(8) Uiso 0.25 1 d . U P D 2
H6B3_3 H 0.2831 0.0491 0.0414 0.078 Uiso 0.25 1 calc R U P D 2
H6B4_3 H 0.2368 0.0698 0.0475 0.078 Uiso 0.25 1 calc R U P D 2
C7BB_3 C 0.2384(15) 0.018(2) -0.024(2) 0.058(10) Uiso 0.25 1 d . U P D 2
H7B3_3 H 0.2544 0.0127 -0.0592 0.069 Uiso 0.25 1 calc R U P D 2
H7B4_3 H 0.2088 0.0272 -0.0446 0.069 Uiso 0.25 1 calc R U P D 2
C8BB_3 C 0.2403(3) -0.0393(4) 0.0153(5) 0.067(3) Uani 0.25 1 d . U P D 2
H8B4_3 H 0.2281 -0.0721 -0.0136 0.100 Uiso 0.25 1 calc R U P D 2
H8B5_3 H 0.2697 -0.0486 0.0353 0.100 Uiso 0.25 1 calc R U P D 2
H8B6_3 H 0.2243 -0.0342 0.0499 0.100 Uiso 0.25 1 calc R U P D 2
C2BC_3 C 0.15020(18) 0.1984(3) -0.0755(3) 0.0348(13) Uani 0.1 1 d . U P D 3
H2B5_3 H 0.1330 0.1669 -0.1015 0.042 Uiso 0.1 1 calc R U P D 3
H2B6_3 H 0.1580 0.2263 -0.1077 0.042 Uiso 0.1 1 calc R U P D 3
C3BC_3 C 0.188(2) 0.170(4) -0.045(3) 0.030(9) Uiso 0.1 1 d . U P D 3
H3B5_3 H 0.1958 0.1378 -0.0726 0.036 Uiso 0.1 1 calc R U P D 3
H3B6_3 H 0.1868 0.1544 -0.0012 0.036 Uiso 0.1 1 calc R U P D 3
C4BC_3 C 0.220(2) 0.228(3) -0.040(3) 0.044(10) Uiso 0.1 1 d . U P D 3
H4B5_3 H 0.2061 0.2632 -0.0262 0.053 Uiso 0.1 1 calc R U P D 3
H4B6_3 H 0.2457 0.2195 -0.0066 0.053 Uiso 0.1 1 calc R U P D 3
C5BC_3 C 0.232(2) 0.241(3) -0.104(4) 0.054(13) Uiso 0.1 1 d . U P D 3
H5B5_3 H 0.2065 0.2454 -0.1389 0.065 Uiso 0.1 1 calc R U P D 3
H5B6_3 H 0.2488 0.2076 -0.1159 0.065 Uiso 0.1 1 calc R U P D 3
C6BC_3 C 0.258(2) 0.299(3) -0.101(3) 0.041(13) Uiso 0.1 1 d . U P D 3
H6B5_3 H 0.2850 0.2925 -0.0684 0.049 Uiso 0.1 1 calc R U P D 3
H6B6_3 H 0.2427 0.3309 -0.0840 0.049 Uiso 0.1 1 calc R U P D 3
C7BC_3 C 0.269(2) 0.320(3) -0.165(4) 0.049(15) Uiso 0.1 1 d . U P D 3
H7B5_3 H 0.2858 0.2877 -0.1800 0.058 Uiso 0.1 1 calc R U P D 3
H7B6_3 H 0.2421 0.3221 -0.1981 0.058 Uiso 0.1 1 calc R U P D 3
C8BC_3 C 0.290(2) 0.373(3) -0.167(3) 0.041(14) Uiso 0.1 1 d . U P D 3
H8B7_3 H 0.2945 0.3798 -0.2117 0.062 Uiso 0.1 1 calc R U P D 3
H8B8_3 H 0.2735 0.4058 -0.1546 0.062 Uiso 0.1 1 calc R U P D 3
H8B9_3 H 0.3176 0.3712 -0.1365 0.062 Uiso 0.1 1 calc R U P D 3
P_3 P 0.07261(4) 0.25748(6) -0.09861(6) 0.0226(3) Uani 1 1 d . U . . .
CME_3 C 0.04552(17) 0.1948(2) -0.1417(3) 0.0278(11) Uani 1 1 d . U . . .
HME1_3 H 0.0384 0.1663 -0.1100 0.042 Uiso 1 1 calc R U . . .
HME2_3 H 0.0637 0.1753 -0.1673 0.042 Uiso 1 1 calc R U . . .
HME3_3 H 0.0196 0.2085 -0.1712 0.042 Uiso 1 1 calc R U . . .
C1A_3 C 0.03818(16) 0.2939(2) -0.0533(2) 0.0239(11) Uani 1 1 d . U . . .
H1A1_3 H 0.0338 0.2670 -0.0177 0.029 Uiso 1 1 calc R U . . .
H1A2_3 H 0.0523 0.3304 -0.0325 0.029 Uiso 1 1 calc R U . . .
C2A_3 C -0.00484(17) 0.3114(3) -0.0947(3) 0.0297(12) Uani 1 1 d . U . . .
H2A1_3 H -0.0192 0.2754 -0.1161 0.036 Uiso 1 1 calc R U . . .
H2A2_3 H -0.0009 0.3395 -0.1295 0.036 Uiso 1 1 calc R U . . .
C3A_3 C -0.03235(16) 0.3408(2) -0.0518(3) 0.0277(11) Uani 1 1 d . U . . .
H3A1_3 H -0.0389 0.3112 -0.0202 0.033 Uiso 1 1 calc R U . . .
H3A2_3 H -0.0166 0.3740 -0.0266 0.033 Uiso 1 1 calc R U . . .
C4A_3 C -0.07359(17) 0.3646(3) -0.0941(3) 0.0343(13) Uani 1 1 d . U . . .
H4A1_3 H -0.0667 0.3938 -0.1259 0.041 Uiso 1 1 calc R U . . .
H4A2_3 H -0.0890 0.3311 -0.1194 0.041 Uiso 1 1 calc R U . . .
C5A_3 C -0.10258(18) 0.3947(3) -0.0544(3) 0.0364(13) Uani 1 1 d . U . . .
H5A1_3 H -0.0864 0.4259 -0.0261 0.044 Uiso 1 1 calc R U . . .
H5A2_3 H -0.1260 0.4146 -0.0851 0.044 Uiso 1 1 calc R U . . .
C6A_3 C -0.12097(18) 0.3515(3) -0.0115(3) 0.0335(13) Uani 1 1 d . U . . .
H6A1_3 H -0.0982 0.3376 0.0248 0.040 Uiso 1 1 calc R U . . .
H6A2_3 H -0.1324 0.3163 -0.0380 0.040 Uiso 1 1 calc R U . . .
C7A_3 C -0.15602(19) 0.3801(3) 0.0172(3) 0.0405(14) Uani 1 1 d . U . . .
H7A1_3 H -0.1804 0.3893 -0.0189 0.049 Uiso 1 1 calc R U . . .
H7A2_3 H -0.1457 0.4181 0.0389 0.049 Uiso 1 1 calc R U . . .
C8A_3 C -0.1704(2) 0.3389(3) 0.0671(4) 0.0481(16) Uani 1 1 d . U . . .
H8A1_3 H -0.1461 0.3276 0.1013 0.072 Uiso 1 1 calc R U . . .
H8A2_3 H -0.1834 0.3030 0.0447 0.072 Uiso 1 1 calc R U . . .
H8A3_3 H -0.1911 0.3599 0.0870 0.072 Uiso 1 1 calc R U . . .
C1B_3 C 0.11959(16) 0.2334(2) -0.0427(3) 0.0262(11) Uani 1 1 d . U . . .
H1B1_3 H 0.1343 0.2688 -0.0206 0.031 Uiso 1 1 calc R U . D 1
H1B2_3 H 0.1115 0.2079 -0.0085 0.031 Uiso 1 1 calc R U . D 1
C1C_3 C 0.08704(17) 0.3070(2) -0.1585(2) 0.0264(11) Uani 1 1 d . U . . .
H1C1_3 H 0.0952 0.2826 -0.1934 0.032 Uiso 1 1 calc R U . . .
H1C2_3 H 0.0619 0.3306 -0.1791 0.032 Uiso 1 1 calc R U . . .
C2C_3 C 0.12309(16) 0.3502(2) -0.1313(3) 0.0269(11) Uani 1 1 d . U . . .
H2C1_3 H 0.1495 0.3273 -0.1171 0.032 Uiso 1 1 calc R U . . .
H2C2_3 H 0.1170 0.3709 -0.0925 0.032 Uiso 1 1 calc R U . . .
C3C_3 C 0.12909(19) 0.3966(2) -0.1827(3) 0.0330(13) Uani 1 1 d . U . . .
H3C1_3 H 0.1317 0.3758 -0.2236 0.040 Uiso 1 1 calc R U . . .
H3C2_3 H 0.1039 0.4225 -0.1930 0.040 Uiso 1 1 calc R U . . .
C4C_3 C 0.16797(19) 0.4350(3) -0.1592(3) 0.0369(13) Uani 1 1 d . U . . .
H4C1_3 H 0.1935 0.4099 -0.1552 0.044 Uiso 1 1 calc R U . . .
H4C2_3 H 0.1674 0.4511 -0.1152 0.044 Uiso 1 1 calc R U . . .
C5C_3 C 0.1706(2) 0.4879(3) -0.2070(3) 0.0442(15) Uani 1 1 d . U . . .
H5C1_3 H 0.1693 0.4721 -0.2517 0.053 Uiso 1 1 calc R U . . .
H5C2_3 H 0.1461 0.5147 -0.2087 0.053 Uiso 1 1 calc R U . . .
C6C_3 C 0.2110(2) 0.5229(3) -0.1847(4) 0.0543(18) Uani 1 1 d . U . . .
H6C1_3 H 0.2351 0.4974 -0.1891 0.065 Uiso 1 1 calc R U . . .
H6C2_3 H 0.2142 0.5329 -0.1376 0.065 Uiso 1 1 calc R U . . .
C7C_3 C 0.2128(3) 0.5823(4) -0.2243(5) 0.070(2) Uani 1 1 d . U . . .
H7C1_3 H 0.1903 0.6094 -0.2164 0.083 Uiso 1 1 calc R U . . .
H7C2_3 H 0.2402 0.6021 -0.2073 0.083 Uiso 1 1 calc R U . . .
C8C_3 C 0.2079(3) 0.5738(4) -0.2932(5) 0.078(3) Uani 1 1 d . U . . .
H8C1_3 H 0.1799 0.5575 -0.3113 0.117 Uiso 1 1 calc R U . . .
H8C2_3 H 0.2294 0.5460 -0.3016 0.117 Uiso 1 1 calc R U . . .
H8C3_3 H 0.2111 0.6122 -0.3142 0.117 Uiso 1 1 calc R U . . .
PA_4 P 0.42950(5) 0.75520(6) 0.13193(9) 0.0169(3) Uani 0.85 1 d . U P E 1
CMEA_4 C 0.4559(2) 0.8191(3) 0.1730(4) 0.0217(13) Uani 0.85 1 d . U P E 1
HME1_4 H 0.4798 0.8060 0.2072 0.033 Uiso 0.85 1 calc R U P E 1
HME2_4 H 0.4362 0.8420 0.1931 0.033 Uiso 0.85 1 calc R U P E 1
HME3_4 H 0.4662 0.8442 0.1412 0.033 Uiso 0.85 1 calc R U P E 1
C1AA_4 C 0.41404(18) 0.7076(2) 0.1919(3) 0.0188(11) Uani 0.85 1 d . U P E 1
H1A1_4 H 0.4388 0.7013 0.2282 0.023 Uiso 0.85 1 calc R U P E 1
H1A2_4 H 0.3923 0.7285 0.2104 0.023 Uiso 0.85 1 calc R U P E 1
C2AA_4 C 0.3969(2) 0.6472(3) 0.1667(3) 0.0300(15) Uani 0.85 1 d . U P E 1
H2A1_4 H 0.4206 0.6207 0.1628 0.036 Uiso 0.85 1 calc R U P E 1
H2A2_4 H 0.3787 0.6520 0.1224 0.036 Uiso 0.85 1 calc R U P E 1
C3AA_4 C 0.3713(2) 0.6184(3) 0.2124(4) 0.0288(15) Uani 0.85 1 d . U P E 1
H3A1_4 H 0.3884 0.6188 0.2577 0.035 Uiso 0.85 1 calc R U P E 1
H3A2_4 H 0.3459 0.6431 0.2120 0.035 Uiso 0.85 1 calc R U P E 1
C4AA_4 C 0.3573(2) 0.5549(3) 0.1946(3) 0.0340(15) Uani 0.85 1 d . U P E 1
H4A1_4 H 0.3825 0.5298 0.1953 0.041 Uiso 0.85 1 calc R U P E 1
H4A2_4 H 0.3400 0.5542 0.1494 0.041 Uiso 0.85 1 calc R U P E 1
C5AA_4 C 0.3318(2) 0.5284(3) 0.2417(4) 0.0332(15) Uani 0.85 1 d . U P E 1
H5A1_4 H 0.3492 0.5297 0.2868 0.040 Uiso 0.85 1 calc R U P E 1
H5A2_4 H 0.3067 0.5536 0.2408 0.040 Uiso 0.85 1 calc R U P E 1
C6AA_4 C 0.3176(2) 0.4650(3) 0.2261(4) 0.0381(16) Uani 0.85 1 d . U P E 1
H6A1_4 H 0.3426 0.4396 0.2265 0.046 Uiso 0.85 1 calc R U P E 1
H6A2_4 H 0.2997 0.4636 0.1813 0.046 Uiso 0.85 1 calc R U P E 1
C7AA_4 C 0.2925(2) 0.4393(3) 0.2749(4) 0.0366(16) Uani 0.85 1 d . U P E 1
H7A1_4 H 0.3110 0.4385 0.3193 0.044 Uiso 0.85 1 calc R U P E 1
H7A2_4 H 0.2685 0.4661 0.2765 0.044 Uiso 0.85 1 calc R U P E 1
C8AA_4 C 0.2762(2) 0.3783(3) 0.2578(4) 0.0400(17) Uani 0.85 1 d . U P E 1
H8A1_4 H 0.2998 0.3510 0.2582 0.060 Uiso 0.85 1 calc R U P E 1
H8A2_4 H 0.2578 0.3786 0.2140 0.060 Uiso 0.85 1 calc R U P E 1
H8A3_4 H 0.2601 0.3649 0.2900 0.060 Uiso 0.85 1 calc R U P E 1
C1BA_4 C 0.3826(2) 0.7773(3) 0.0744(4) 0.0232(14) Uani 0.85 1 d . U P E 1
H1B1_4 H 0.3907 0.7939 0.0348 0.028 Uiso 0.85 1 calc R U P E 1
H1B2_4 H 0.3650 0.7416 0.0609 0.028 Uiso 0.85 1 calc R U P E 1
C2BA_4 C 0.3565(2) 0.8236(3) 0.1021(3) 0.0263(14) Uani 0.85 1 d . U P E 1
H2B1_4 H 0.3714 0.8625 0.1060 0.032 Uiso 0.85 1 calc R U P E 1
H2B2_4 H 0.3537 0.8112 0.1465 0.032 Uiso 0.85 1 calc R U P E 1
C5BA_4 C 0.2693(6) 0.7742(9) 0.1302(10) 0.050(4) Uani 0.56 1 d . U P E 1
H5B1_4 H 0.2957 0.7691 0.1636 0.060 Uiso 0.56 1 calc R U P E 1
H5B2_4 H 0.2576 0.8134 0.1386 0.060 Uiso 0.56 1 calc R U P E 1
C6BA_4 C 0.2362(5) 0.7234(8) 0.1461(9) 0.072(4) Uani 0.56 1 d . U P E 1
H6B1_4 H 0.2285 0.7334 0.1883 0.086 Uiso 0.56 1 calc R U P E 1
H6B2_4 H 0.2101 0.7253 0.1115 0.086 Uiso 0.56 1 calc R U P E 1
C7BA_4 C 0.2512(6) 0.6662(9) 0.1495(10) 0.089(5) Uani 0.56 1 d . U P E 1
H7B1_4 H 0.2785 0.6638 0.1813 0.107 Uiso 0.56 1 calc R U P E 1
H7B2_4 H 0.2555 0.6532 0.1061 0.107 Uiso 0.56 1 calc R U P E 1
C1CA_4 C 0.46468(18) 0.7171(3) 0.0901(3) 0.0199(12) Uani 0.85 1 d . U P E 1
H1C1_4 H 0.4497 0.6827 0.0660 0.024 Uiso 0.85 1 calc R U P E 1
H1C2_4 H 0.4725 0.7445 0.0574 0.024 Uiso 0.85 1 calc R U P E 1
C2CA_4 C 0.50514(18) 0.6946(3) 0.1361(3) 0.0219(12) Uani 0.85 1 d . U P E 1
H2C1_4 H 0.5190 0.7282 0.1630 0.026 Uiso 0.85 1 calc R U P E 1
H2C2_4 H 0.4976 0.6642 0.1661 0.026 Uiso 0.85 1 calc R U P E 1
C3CA_4 C 0.53631(18) 0.6671(3) 0.0979(3) 0.0238(13) Uani 0.85 1 d . U P E 1
H3C1_4 H 0.5217 0.6367 0.0669 0.029 Uiso 0.85 1 calc R U P E 1
H3C2_4 H 0.5470 0.6986 0.0724 0.029 Uiso 0.85 1 calc R U P E 1
C4CA_4 C 0.5735(2) 0.6381(3) 0.1459(3) 0.0328(15) Uani 0.85 1 d . U P E 1
H4C1_4 H 0.5877 0.6690 0.1766 0.039 Uiso 0.85 1 calc R U P E 1
H4C2_4 H 0.5623 0.6077 0.1720 0.039 Uiso 0.85 1 calc R U P E 1
C5CA_4 C 0.6062(2) 0.6085(3) 0.1129(4) 0.0357(15) Uani 0.85 1 d . U P E 1
H5C1_4 H 0.6265 0.5860 0.1464 0.043 Uiso 0.85 1 calc R U P E 1
H5C2_4 H 0.5917 0.5796 0.0797 0.043 Uiso 0.85 1 calc R U P E 1
C6CA_4 C 0.6303(2) 0.6533(3) 0.0797(4) 0.0386(16) Uani 0.85 1 d . U P E 1
H6C1_4 H 0.6396 0.6871 0.1099 0.046 Uiso 0.85 1 calc R U P E 1
H6C2_4 H 0.6113 0.6693 0.0399 0.046 Uiso 0.85 1 calc R U P E 1
C7CA_4 C 0.6689(3) 0.6246(4) 0.0604(5) 0.052(2) Uani 0.85 1 d . U P E 1
H7C1_4 H 0.6871 0.6070 0.1001 0.062 Uiso 0.85 1 calc R U P E 1
H7C2_4 H 0.6593 0.5918 0.0290 0.062 Uiso 0.85 1 calc R U P E 1
C8CA_4 C 0.6947(3) 0.6684(5) 0.0297(7) 0.093(4) Uani 0.85 1 d . U P E 1
H8C1_4 H 0.7008 0.7038 0.0577 0.139 Uiso 0.85 1 calc R U P E 1
H8C2_4 H 0.6787 0.6802 -0.0137 0.139 Uiso 0.85 1 calc R U P E 1
H8C3_4 H 0.7211 0.6495 0.0253 0.139 Uiso 0.85 1 calc R U P E 1
C8BA_4 C 0.2178(3) 0.6248(4) 0.1722(4) 0.075(3) Uani 0.56 1 d . U P E 1
H8B1_4 H 0.2169 0.6339 0.2179 0.112 Uiso 0.56 1 calc R U P E 1
H8B2_4 H 0.2257 0.5829 0.1687 0.112 Uiso 0.56 1 calc R U P E 1
H8B3_4 H 0.1900 0.6318 0.1442 0.112 Uiso 0.56 1 calc R U P E 1
C3BA_4 C 0.3120(2) 0.8311(3) 0.0576(3) 0.0476(16) Uani 0.85 1 d . U P E 1
H3B1_4 H 0.2989 0.8675 0.0713 0.057 Uiso 0.85 1 calc R U P E 1
H3B2_4 H 0.3151 0.8372 0.0118 0.057 Uiso 0.85 1 calc R U P E 1
C4BA_4 C 0.2828(2) 0.7792(4) 0.0593(4) 0.058(2) Uani 0.85 1 d . U P E 1
H4B1_4 H 0.2970 0.7418 0.0506 0.069 Uiso 0.85 1 calc R U P E 1
H4B2_4 H 0.2572 0.7841 0.0242 0.069 Uiso 0.85 1 calc R U P E 1
PB_4 P 0.4241(4) 0.7463(6) 0.0974(8) 0.043(3) Uiso 0.15 1 d . U P F 2
CMEB_4 C 0.4480(18) 0.808(2) 0.148(3) 0.044(14) Uiso 0.15 1 d . U P F 2
HME4_4 H 0.4617 0.7925 0.1915 0.067 Uiso 0.15 1 calc R U P F 2
HME5_4 H 0.4263 0.8367 0.1525 0.067 Uiso 0.15 1 calc R U P F 2
HME6_4 H 0.4691 0.8267 0.1275 0.067 Uiso 0.15 1 calc R U P F 2
C1AB_4 C 0.4064(13) 0.7001(17) 0.154(2) 0.032(7) Uiso 0.15 1 d . U P F 2
H1A3_4 H 0.4315 0.6797 0.1795 0.039 Uiso 0.15 1 calc R U P F 2
H1A4_4 H 0.3957 0.7266 0.1844 0.039 Uiso 0.15 1 calc R U P F 2
C2AB_4 C 0.3744(13) 0.6541(17) 0.133(2) 0.033(7) Uiso 0.15 1 d . U P F 2
H2A3_4 H 0.3818 0.6323 0.0956 0.039 Uiso 0.15 1 calc R U P F 2
H2A4_4 H 0.3472 0.6745 0.1158 0.039 Uiso 0.15 1 calc R U P F 2
C3AB_4 C 0.3672(17) 0.609(2) 0.183(3) 0.042(9) Uiso 0.15 1 d . U P F 2
H3A3_4 H 0.3931 0.5844 0.1960 0.051 Uiso 0.15 1 calc R U P F 2
H3A4_4 H 0.3623 0.6297 0.2219 0.051 Uiso 0.15 1 calc R U P F 2
C4AB_4 C 0.3311(12) 0.5677(16) 0.1584(18) 0.027(6) Uiso 0.15 1 d . U P F 2
H4A3_4 H 0.3371 0.5447 0.1210 0.033 Uiso 0.15 1 calc R U P F 2
H4A4_4 H 0.3058 0.5923 0.1415 0.033 Uiso 0.15 1 calc R U P F 2
C5AB_4 C 0.3199(19) 0.522(3) 0.210(3) 0.056(10) Uiso 0.15 1 d . U P F 2
H5A3_4 H 0.3463 0.5027 0.2330 0.067 Uiso 0.15 1 calc R U P F 2
H5A4_4 H 0.3085 0.5448 0.2430 0.067 Uiso 0.15 1 calc R U P F 2
C6AB_4 C 0.2901(16) 0.477(2) 0.183(2) 0.052(9) Uiso 0.15 1 d . U P F 2
H6A3_4 H 0.2966 0.4609 0.1416 0.062 Uiso 0.15 1 calc R U P F 2
H6A4_4 H 0.2612 0.4933 0.1727 0.062 Uiso 0.15 1 calc R U P F 2
C7AB_4 C 0.2932(16) 0.420(2) 0.239(3) 0.049(9) Uiso 0.15 1 d . U P F 2
H7A3_4 H 0.2697 0.3923 0.2231 0.058 Uiso 0.15 1 calc R U P F 2
H7A4_4 H 0.3198 0.3985 0.2403 0.058 Uiso 0.15 1 calc R U P F 2
C8AB_4 C 0.291(2) 0.441(3) 0.314(3) 0.075(15) Uiso 0.15 1 d . U P F 2
H8A4_4 H 0.3018 0.4089 0.3445 0.112 Uiso 0.15 1 calc R U P F 2
H8A5_4 H 0.2623 0.4510 0.3160 0.112 Uiso 0.15 1 calc R U P F 2
H8A6_4 H 0.3092 0.4767 0.3257 0.112 Uiso 0.15 1 calc R U P F 2
C1BB_4 C 0.3793(16) 0.774(2) 0.048(2) 0.027(9) Uiso 0.15 1 d . U P F 2
H1B3_4 H 0.3881 0.7983 0.0136 0.033 Uiso 0.15 1 calc R U P F 2
H1B4_4 H 0.3634 0.7395 0.0253 0.033 Uiso 0.15 1 calc R U P F 2
C2BB_4 C 0.3486(15) 0.811(2) 0.077(2) 0.031(8) Uiso 0.15 1 d . U P F 2
H2B3_4 H 0.3467 0.7889 0.1170 0.037 Uiso 0.15 1 calc R U P F 2
H2B4_4 H 0.3652 0.8473 0.0924 0.037 Uiso 0.15 1 calc R U P F 2
C3BB_4 C 0.3120(2) 0.8311(3) 0.0576(3) 0.0476(16) Uani 0.15 1 d . U P F 2
H3B3_4 H 0.3082 0.8472 0.0125 0.057 Uiso 0.15 1 calc R U P F 2
H3B4_4 H 0.3064 0.8634 0.0871 0.057 Uiso 0.15 1 calc R U P F 2
C4BB_4 C 0.2828(2) 0.7792(4) 0.0593(4) 0.058(2) Uani 0.15 1 d . U P F 2
H4B3_4 H 0.2563 0.7882 0.0276 0.069 Uiso 0.15 1 calc R U P F 2
H4B4_4 H 0.2955 0.7443 0.0417 0.069 Uiso 0.15 1 calc R U P F 2
C5BB_4 C 0.2719(10) 0.7609(11) 0.1173(14) 0.046(6) Uiso 0.44 1 d . U P F 2
H5B3_4 H 0.2560 0.7935 0.1330 0.055 Uiso 0.44 1 calc R U P F 2
H5B4_4 H 0.2980 0.7546 0.1508 0.055 Uiso 0.44 1 calc R U P F 2
C6BB_4 C 0.2469(4) 0.7072(5) 0.1121(6) 0.023(2) Uiso 0.44 1 d . U P F 2
H6B3_4 H 0.2623 0.6745 0.0955 0.027 Uiso 0.44 1 calc R U P F 2
H6B4_4 H 0.2201 0.7136 0.0801 0.027 Uiso 0.44 1 calc R U P F 2
C7BB_4 C 0.2370(4) 0.6881(6) 0.1803(6) 0.023(2) Uiso 0.44 1 d . U P F 2
H7B3_4 H 0.2632 0.6881 0.2148 0.027 Uiso 0.44 1 calc R U P F 2
H7B4_4 H 0.2169 0.7164 0.1934 0.027 Uiso 0.44 1 calc R U P F 2
C8BB_4 C 0.2178(3) 0.6248(4) 0.1722(4) 0.075(3) Uani 0.44 1 d . U P F 2
H8BA_4 H 0.2113 0.6118 0.2139 0.112 Uiso 0.44 1 calc R U P F 2
H8BB_4 H 0.1919 0.6253 0.1382 0.112 Uiso 0.44 1 calc R U P F 2
H8BC_4 H 0.2380 0.5971 0.1595 0.112 Uiso 0.44 1 calc R U P F 2
C1CB_4 C 0.4583(13) 0.7111(19) 0.054(2) 0.038(9) Uiso 0.15 1 d . U P F 2
H1C3_4 H 0.4445 0.6742 0.0342 0.046 Uiso 0.15 1 calc R U P F 2
H1C4_4 H 0.4621 0.7378 0.0181 0.046 Uiso 0.15 1 calc R U P F 2
C2CB_4 C 0.5024(14) 0.6944(19) 0.095(2) 0.039(8) Uiso 0.15 1 d . U P F 2
H2C3_4 H 0.4996 0.6662 0.1303 0.047 Uiso 0.15 1 calc R U P F 2
H2C4_4 H 0.5170 0.7307 0.1155 0.047 Uiso 0.15 1 calc R U P F 2
C3CB_4 C 0.5290(12) 0.6648(17) 0.048(2) 0.032(7) Uiso 0.15 1 d . U P F 2
H3C3_4 H 0.5123 0.6331 0.0214 0.038 Uiso 0.15 1 calc R U P F 2
H3C4_4 H 0.5366 0.6951 0.0180 0.038 Uiso 0.15 1 calc R U P F 2
C4CB_4 C 0.5703(15) 0.637(2) 0.093(2) 0.050(8) Uiso 0.15 1 d . U P F 2
H4C3_4 H 0.5864 0.6693 0.1194 0.060 Uiso 0.15 1 calc R U P F 2
H4C4_4 H 0.5622 0.6075 0.1228 0.060 Uiso 0.15 1 calc R U P F 2
C5CB_4 C 0.5979(14) 0.608(2) 0.052(2) 0.045(8) Uiso 0.15 1 d . U P F 2
H5C3_4 H 0.6212 0.5867 0.0817 0.054 Uiso 0.15 1 calc R U P F 2
H5C4_4 H 0.5811 0.5772 0.0234 0.054 Uiso 0.15 1 calc R U P F 2
C6CB_4 C 0.6163(15) 0.650(2) 0.010(2) 0.048(9) Uiso 0.15 1 d . U P F 2
H6C3_4 H 0.6301 0.6825 0.0382 0.057 Uiso 0.15 1 calc R U P F 2
H6C4_4 H 0.5927 0.6674 -0.0225 0.057 Uiso 0.15 1 calc R U P F 2
C7CB_4 C 0.649(2) 0.625(3) -0.029(3) 0.074(12) Uiso 0.15 1 d . U P F 2
H7C3_4 H 0.6739 0.6110 0.0037 0.089 Uiso 0.15 1 calc R U P F 2
H7C4_4 H 0.6363 0.5888 -0.0531 0.089 Uiso 0.15 1 calc R U P F 2
C8CB_4 C 0.6639(16) 0.661(2) -0.074(3) 0.057(12) Uiso 0.15 1 d . U P F 2
H8C4_4 H 0.6631 0.7031 -0.0609 0.086 Uiso 0.15 1 calc R U P F 2
H8C5_4 H 0.6459 0.6561 -0.1180 0.086 Uiso 0.15 1 calc R U P F 2
H8C6_4 H 0.6929 0.6501 -0.0754 0.086 Uiso 0.15 1 calc R U P F 2
O1_5 O 0.00837(11) 0.23773(14) 0.21798(17) 0.0221(7) Uani 1 1 d . U . . .
C1_5 C -0.01945(15) 0.1981(2) 0.2210(2) 0.0206(10) Uani 1 1 d . U . . .
C2_5 C -0.01378(15) 0.1372(2) 0.2138(2) 0.0221(10) Uani 1 1 d . U . . .
H2_5 H -0.0357 0.1111 0.2197 0.027 Uiso 1 1 calc R U . . .
C3_5 C 0.02272(15) 0.1117(2) 0.1981(2) 0.0193(10) Uani 1 1 d . U . . .
O3_5 O 0.05233(10) 0.14193(14) 0.18437(17) 0.0213(7) Uani 1 1 d . U . . .
C4_5 C 0.02742(10) 0.04431(9) 0.19462(17) 0.0205(10) Uani 1 1 d G U . . .
C5_5 C 0.00247(10) 0.00434(13) 0.22041(17) 0.0269(11) Uani 1 1 d G U . . .
H5_5 H -0.0179 0.0187 0.2433 0.032 Uiso 1 1 calc R U . . .
C6_5 C 0.00735(10) -0.05669(12) 0.21276(18) 0.0307(12) Uani 1 1 d G U . . .
H6_5 H -0.0097 -0.0840 0.2304 0.037 Uiso 1 1 calc R U . . .
C7_5 C 0.03717(11) -0.07776(9) 0.17933(18) 0.0289(12) Uani 1 1 d G U . . .
H7_5 H 0.0405 -0.1195 0.1741 0.035 Uiso 1 1 calc R U . . .
C8_5 C 0.06211(10) -0.03779(12) 0.15355(17) 0.0258(11) Uani 1 1 d G U . . .
H8_5 H 0.0825 -0.0522 0.1307 0.031 Uiso 1 1 calc R U . . .
C9_5 C 0.05724(9) 0.02324(11) 0.16119(16) 0.0216(10) Uani 1 1 d G U . . .
H9_5 H 0.0743 0.0506 0.1436 0.026 Uiso 1 1 calc R U . . .
C10_5 C -0.06119(8) 0.22162(13) 0.23295(18) 0.0222(10) Uani 1 1 d G U . . .
C11_5 C -0.06656(9) 0.28309(12) 0.23460(19) 0.0300(12) Uani 1 1 d G U . . .
H11_5 H -0.0442 0.3090 0.2301 0.036 Uiso 1 1 calc R U . . .
C12_5 C -0.10468(10) 0.30669(10) 0.2429(2) 0.0374(14) Uani 1 1 d G U . . .
H12_5 H -0.1084 0.3487 0.2440 0.045 Uiso 1 1 calc R U . . .
C13_5 C -0.13743(8) 0.26882(14) 0.2495(2) 0.0340(13) Uani 1 1 d G U . . .
H13_5 H -0.1635 0.2849 0.2551 0.041 Uiso 1 1 calc R U . . .
C14_5 C -0.13205(9) 0.20735(13) 0.2478(2) 0.0337(13) Uani 1 1 d G U . . .
H14_5 H -0.1544 0.1815 0.2523 0.040 Uiso 1 1 calc R U . . .
C15_5 C -0.09393(10) 0.18375(10) 0.23955(18) 0.0302(12) Uani 1 1 d G U . . .
H15_5 H -0.0903 0.1417 0.2384 0.036 Uiso 1 1 calc R U . . .
O1A_6 O 0.09044(10) 0.31370(15) 0.23111(16) 0.0221(7) Uani 0.85 1 d D U P A 1
C1A_6 C 0.12803(19) 0.3326(3) 0.2432(3) 0.0206(17) Uani 0.85 1 d D U P A 1
C2A_6 C 0.16347(17) 0.2969(2) 0.2406(3) 0.0175(12) Uani 0.85 1 d D U P A 1
H2A_6 H 0.1906 0.3145 0.2532 0.021 Uiso 0.85 1 calc R U P A 1
C3A_6 C 0.16097(17) 0.2373(2) 0.2204(3) 0.0187(12) Uani 0.85 1 d D U P A 1
C4A_6 C 0.20102(10) 0.20021(16) 0.2272(2) 0.0219(12) Uani 0.85 1 d DG U P A 1
C5A_6 C 0.23889(12) 0.21691(16) 0.2679(2) 0.0373(16) Uani 0.85 1 d G U P A 1
H5A_6 H 0.2406 0.2529 0.2923 0.045 Uiso 0.85 1 calc R U P A 1
C6A_6 C 0.27427(10) 0.1809(2) 0.2729(2) 0.049(2) Uani 0.85 1 d G U P A 1
H6A_6 H 0.3002 0.1923 0.3008 0.059 Uiso 0.85 1 calc R U P A 1
C7A_6 C 0.27178(11) 0.12815(19) 0.2372(3) 0.0446(19) Uani 0.85 1 d G U P A 1
H7A_6 H 0.2960 0.1035 0.2406 0.054 Uiso 0.85 1 calc R U P A 1
C8A_6 C 0.23391(13) 0.11145(16) 0.1965(2) 0.0434(18) Uani 0.85 1 d G U P A 1
H8A_6 H 0.2322 0.0754 0.1721 0.052 Uiso 0.85 1 calc R U P A 1
C9A_6 C 0.19853(10) 0.14749(18) 0.1914(2) 0.0347(16) Uani 0.85 1 d G U P A 1
H9A_6 H 0.1726 0.1361 0.1636 0.042 Uiso 0.85 1 calc R U P A 1
C10A_6 C 0.13519(13) 0.39885(13) 0.2576(2) 0.0243(19) Uani 0.85 1 d DG U P A 1
C11A_6 C 0.16747(12) 0.42954(15) 0.2375(2) 0.0257(13) Uani 0.85 1 d G U P A 1
H11A_6 H 0.1856 0.4092 0.2146 0.031 Uiso 0.85 1 calc R U P A 1
C12A_6 C 0.17325(11) 0.49006(15) 0.2511(2) 0.0352(15) Uani 0.85 1 d G U P A 1
H12A_6 H 0.1953 0.5110 0.2374 0.042 Uiso 0.85 1 calc R U P A 1
C13A_6 C 0.14675(13) 0.51989(12) 0.2846(2) 0.0281(14) Uani 0.85 1 d G U P A 1
H13A_6 H 0.1507 0.5613 0.2939 0.034 Uiso 0.85 1 calc R U P A 1
C14A_6 C 0.11447(12) 0.48920(17) 0.3047(2) 0.0300(16) Uani 0.85 1 d G U P A 1
H14A_6 H 0.0964 0.5096 0.3276 0.036 Uiso 0.85 1 calc R U P A 1
C15A_6 C 0.10869(12) 0.42868(17) 0.2912(2) 0.0232(12) Uani 0.85 1 d G U P A 1
H15A_6 H 0.0866 0.4077 0.3049 0.028 Uiso 0.85 1 calc R U P A 1
O3A_6 O 0.12711(10) 0.21026(15) 0.19347(18) 0.0257(8) Uani 0.85 1 d D U P A 1
O1B_6 O 0.09044(10) 0.31370(15) 0.23111(16) 0.0221(7) Uani 0.15 1 d D U P A 2
C1B_6 C 0.1279(6) 0.3311(10) 0.2325(12) 0.019(8) Uiso 0.15 1 d D U P A 2
C2B_6 C 0.1619(8) 0.2995(10) 0.2162(16) 0.042(10) Uiso 0.15 1 d D U P A 2
H2B_6 H 0.1879 0.3200 0.2205 0.051 Uiso 0.15 1 calc R U P A 2
C3B_6 C 0.1603(7) 0.2400(10) 0.1941(17) 0.032(8) Uiso 0.15 1 d D U P A 2
O3B_6 O 0.12711(10) 0.21026(15) 0.19347(18) 0.0257(8) Uani 0.15 1 d D U P A 2
C4B_6 C 0.1982(6) 0.2088(12) 0.1751(11) 0.043(8) Uiso 0.15 1 d DG U P A 2
C5B_6 C 0.2341(8) 0.2404(9) 0.1698(15) 0.055(10) Uiso 0.15 1 d G U P A 2
H5B_6 H 0.2356 0.2822 0.1778 0.066 Uiso 0.15 1 calc R U P A 2
C6B_6 C 0.2679(7) 0.2109(13) 0.1528(17) 0.054(11) Uiso 0.15 1 d G U P A 2
H6B_6 H 0.2925 0.2325 0.1492 0.065 Uiso 0.15 1 calc R U P A 2
C7B_6 C 0.2658(8) 0.1498(13) 0.1412(15) 0.066(11) Uiso 0.15 1 d G U P A 2
H7B_6 H 0.2889 0.1297 0.1295 0.079 Uiso 0.15 1 calc R U P A 2
C8B_6 C 0.2298(10) 0.1182(9) 0.1465(18) 0.050(9) Uiso 0.15 1 d G U P A 2
H8B_6 H 0.2284 0.0765 0.1385 0.060 Uiso 0.15 1 calc R U P A 2
C9B_6 C 0.1960(7) 0.1477(12) 0.1635(16) 0.057(10) Uiso 0.15 1 d G U P A 2
H9B_6 H 0.1715 0.1261 0.1671 0.068 Uiso 0.15 1 calc R U P A 2
C10B_6 C 0.1357(9) 0.3935(9) 0.2614(10) 0.025(9) Uiso 0.15 1 d DG U P A 2
C11B_6 C 0.1764(8) 0.4115(12) 0.2901(16) 0.063(9) Uiso 0.15 1 d G U P A 2
H11B_6 H 0.1993 0.3849 0.2914 0.076 Uiso 0.15 1 calc R U P A 2
C12B_6 C 0.1835(9) 0.4683(13) 0.3169(17) 0.069(10) Uiso 0.15 1 d G U P A 2
H12B_6 H 0.2113 0.4805 0.3365 0.083 Uiso 0.15 1 calc R U P A 2
C13B_6 C 0.1499(12) 0.5072(10) 0.3149(15) 0.055(10) Uiso 0.15 1 d G U P A 2
H13B_6 H 0.1547 0.5460 0.3332 0.066 Uiso 0.15 1 calc R U P A 2
C14B_6 C 0.1092(10) 0.4892(13) 0.2862(18) 0.054(10) Uiso 0.15 1 d G U P A 2
H14B_6 H 0.0862 0.5158 0.2849 0.065 Uiso 0.15 1 calc R U P A 2
C15B_6 C 0.1021(7) 0.4324(14) 0.2594(16) 0.049(9) Uiso 0.15 1 d G U P A 2
H15B_6 H 0.0743 0.4201 0.2398 0.059 Uiso 0.15 1 calc R U P A 2
O1_7 O 0.02274(11) 0.33139(14) 0.11519(18) 0.0251(8) Uani 1 1 d . U . . .
C1_7 C 0.03285(16) 0.3843(2) 0.1041(2) 0.0238(11) Uani 1 1 d . U . . .
C2_7 C 0.07199(17) 0.4005(2) 0.0912(3) 0.0270(11) Uani 1 1 d . U . . .
H2_7 H 0.0775 0.4416 0.0858 0.032 Uiso 1 1 calc R U . . .
C3_7 C 0.10339(16) 0.3588(2) 0.0860(2) 0.0219(10) Uani 1 1 d . U . . .
O3_7 O 0.09996(10) 0.30257(14) 0.09132(16) 0.0208(7) Uani 1 1 d . U . . .
C4_7 C 0.14507(8) 0.38064(14) 0.07147(18) 0.0268(11) Uani 1 1 d G U . . .
C5_7 C 0.15082(9) 0.43884(13) 0.0521(2) 0.0329(12) Uani 1 1 d G U . . .
H5_7 H 0.1280 0.4663 0.0457 0.040 Uiso 1 1 calc R U . . .
C6_7 C 0.18991(11) 0.45685(12) 0.0420(2) 0.0440(15) Uani 1 1 d G U . . .
H6_7 H 0.1938 0.4966 0.0287 0.053 Uiso 1 1 calc R U . . .
C7_7 C 0.22324(9) 0.41666(16) 0.0512(2) 0.0448(16) Uani 1 1 d G U . . .
H7_7 H 0.2500 0.4290 0.0443 0.054 Uiso 1 1 calc R U . . .
C8_7 C 0.21749(9) 0.35846(15) 0.0707(2) 0.0414(15) Uani 1 1 d G U . . .
H8_7 H 0.2403 0.3310 0.0770 0.050 Uiso 1 1 calc R U . . .
C9_7 C 0.17840(11) 0.34045(12) 0.08077(19) 0.0328(13) Uani 1 1 d G U . . .
H9_7 H 0.1745 0.3007 0.0940 0.039 Uiso 1 1 calc R U . . .
C10_7 C -0.00140(9) 0.43047(14) 0.1043(2) 0.0307(12) Uani 1 1 d G U . . .
C11_7 C 0.00078(11) 0.48864(15) 0.0821(3) 0.0517(19) Uani 1 1 d G U . . .
H11_7 H 0.0252 0.5018 0.0679 0.062 Uiso 1 1 calc R U . . .
C12_7 C -0.03274(14) 0.52751(13) 0.0808(3) 0.071(3) Uani 1 1 d G U . . .
H12_7 H -0.0312 0.5673 0.0656 0.085 Uiso 1 1 calc R U . . .
C13_7 C -0.06845(11) 0.50822(16) 0.1015(3) 0.058(2) Uani 1 1 d G U . . .
H13_7 H -0.0914 0.5348 0.1006 0.069 Uiso 1 1 calc R U . . .
C14_7 C -0.07063(10) 0.45005(17) 0.1237(2) 0.0441(15) Uani 1 1 d G U . . .
H14_7 H -0.0950 0.4369 0.1379 0.053 Uiso 1 1 calc R U . . .
C15_7 C -0.03711(11) 0.41117(13) 0.1251(2) 0.0349(13) Uani 1 1 d G U . . .
H15_7 H -0.0386 0.3714 0.1402 0.042 Uiso 1 1 calc R U . . .
O1_8 O 0.06637(10) 0.17760(14) 0.05918(16) 0.0192(7) Uani 1 1 d . U . . .
C1_8 C 0.04386(15) 0.1371(2) 0.0261(2) 0.0182(10) Uani 1 1 d . U . . .
C2_8 C -0.00004(15) 0.1394(2) 0.0082(2) 0.0206(10) Uani 1 1 d . U . . .
H2_8 H -0.0142 0.1110 -0.0225 0.025 Uiso 1 1 calc R U . . .
C3_8 C -0.02453(15) 0.1820(2) 0.0337(2) 0.0194(10) Uani 1 1 d . U . . .
O3_8 O -0.01022(10) 0.21946(14) 0.07746(17) 0.0220(7) Uani 1 1 d . U . . .
C4_8 C -0.07156(7) 0.18067(15) 0.00895(15) 0.0202(10) Uani 1 1 d G U . . .
C5_8 C -0.08948(9) 0.17123(16) -0.05693(13) 0.0263(11) Uani 1 1 d G U . . .
H5_8 H -0.0720 0.1665 -0.0877 0.032 Uiso 1 1 calc R U . . .
C6_8 C -0.13303(9) 0.16878(17) -0.07774(12) 0.0350(13) Uani 1 1 d G U . . .
H6_8 H -0.1453 0.1623 -0.1228 0.042 Uiso 1 1 calc R U . . .
C7_8 C -0.15867(7) 0.17577(17) -0.03266(17) 0.0351(13) Uani 1 1 d G U . . .
H7_8 H -0.1884 0.1741 -0.0469 0.042 Uiso 1 1 calc R U . . .
C8_8 C -0.14075(9) 0.18521(16) 0.03321(15) 0.0311(12) Uani 1 1 d G U . . .
H8_8 H -0.1583 0.1900 0.0640 0.037 Uiso 1 1 calc R U . . .
C9_8 C -0.09720(9) 0.18766(16) 0.05402(12) 0.0283(12) Uani 1 1 d G U . . .
H9_8 H -0.0850 0.1941 0.0990 0.034 Uiso 1 1 calc R U . . .
C10_8 C 0.06727(9) 0.08320(11) 0.00737(17) 0.0209(10) Uani 1 1 d G U . . .
C11_8 C 0.04711(7) 0.03724(13) -0.03187(16) 0.0242(11) Uani 1 1 d G U . . .
H11_8 H 0.0180 0.0404 -0.0515 0.029 Uiso 1 1 calc R U . . .
C12_8 C 0.06954(10) -0.01337(12) -0.04235(17) 0.0299(12) Uani 1 1 d G U . . .
H12_8 H 0.0558 -0.0448 -0.0692 0.036 Uiso 1 1 calc R U . . .
C13_8 C 0.11212(10) -0.01803(12) -0.01358(19) 0.0344(13) Uani 1 1 d G U . . .
H13_8 H 0.1274 -0.0526 -0.0207 0.041 Uiso 1 1 calc R U . . .
C14_8 C 0.13228(7) 0.02793(15) 0.02566(18) 0.0359(13) Uani 1 1 d G U . . .
H14_8 H 0.1614 0.0247 0.0453 0.043 Uiso 1 1 calc R U . . .
C15_8 C 0.10985(9) 0.07854(13) 0.03614(17) 0.0281(11) Uani 1 1 d G U . . .
H15_8 H 0.1236 0.1099 0.0630 0.034 Uiso 1 1 calc R U . . .
O1A_9 O 0.58804(12) 0.31582(17) 0.1955(2) 0.0151(8) Uani 0.85 1 d D U P B 1
C1A_9 C 0.62570(18) 0.3348(2) 0.2092(3) 0.0170(12) Uani 0.85 1 d D U P B 1
C2A_9 C 0.66097(19) 0.3023(3) 0.1981(3) 0.0205(13) Uani 0.85 1 d D U P B 1
H2A_9 H 0.6880 0.3204 0.2095 0.025 Uiso 0.85 1 calc R U P B 1
C3A_9 C 0.65797(17) 0.2446(2) 0.1710(3) 0.0179(13) Uani 0.85 1 d D U P B 1
O3A_9 O 0.62451(14) 0.21462(19) 0.1561(3) 0.0204(10) Uani 0.85 1 d D U P B 1
C4A_9 C 0.69705(14) 0.2137(2) 0.1586(2) 0.0211(14) Uani 0.85 1 d DG U P B 1
C5A_9 C 0.73271(18) 0.24524(19) 0.1516(4) 0.0283(19) Uani 0.85 1 d G U P B 1
H5A_9 H 0.7333 0.2875 0.1555 0.034 Uiso 0.85 1 calc R U P B 1
C6A_9 C 0.76747(17) 0.2149(3) 0.1388(5) 0.0329(19) Uani 0.85 1 d G U P B 1
H6A_9 H 0.7918 0.2365 0.1341 0.039 Uiso 0.85 1 calc R U P B 1
C7A_9 C 0.76656(17) 0.1531(3) 0.1331(4) 0.0328(19) Uani 0.85 1 d G U P B 1
H7A_9 H 0.7903 0.1324 0.1244 0.039 Uiso 0.85 1 calc R U P B 1
C8A_9 C 0.73090(18) 0.12164(19) 0.1401(3) 0.0300(16) Uani 0.85 1 d G U P B 1
H8A_9 H 0.7303 0.0794 0.1362 0.036 Uiso 0.85 1 calc R U P B 1
C9A_9 C 0.69615(14) 0.1519(2) 0.1528(2) 0.0218(13) Uani 0.85 1 d G U P B 1
H9A_9 H 0.6718 0.1304 0.1576 0.026 Uiso 0.85 1 calc R U P B 1
C10A_9 C 0.63289(12) 0.39596(13) 0.24195(19) 0.0238(15) Uani 0.85 1 d DG U P B
1
C11A_9 C 0.59791(9) 0.43277(17) 0.2370(2) 0.0268(13) Uani 0.85 1 d G U P B 1
H11A_9 H 0.5711 0.4197 0.2135 0.032 Uiso 0.85 1 calc R U P B 1
C12A_9 C 0.60214(11) 0.48870(17) 0.2665(3) 0.0435(19) Uani 0.85 1 d G U P B 1
H12A_9 H 0.5782 0.5139 0.2632 0.052 Uiso 0.85 1 calc R U P B 1
C13A_9 C 0.64134(13) 0.50782(15) 0.3009(2) 0.0429(19) Uani 0.85 1 d G U P B 1
H13A_9 H 0.6442 0.5460 0.3211 0.052 Uiso 0.85 1 calc R U P B 1
C14A_9 C 0.67632(10) 0.47100(18) 0.3058(2) 0.0371(16) Uani 0.85 1 d G U P B 1
H14A_9 H 0.7031 0.4841 0.3293 0.045 Uiso 0.85 1 calc R U P B 1
C15A_9 C 0.67209(10) 0.41507(16) 0.2763(2) 0.0254(13) Uani 0.85 1 d G U P B 1
H15A_9 H 0.6960 0.3899 0.2797 0.030 Uiso 0.85 1 calc R U P B 1
O1B_9 O 0.5945(8) 0.3143(12) 0.2263(15) 0.036(8) Uiso 0.15 1 d D U P C 2
C1B_9 C 0.6322(8) 0.3323(10) 0.2330(12) 0.024(8) Uiso 0.15 1 d D U P C 2
C2B_9 C 0.6655(10) 0.2981(12) 0.2188(15) 0.028(9) Uiso 0.15 1 d D U P C 2
H2B_9 H 0.6924 0.3166 0.2255 0.034 Uiso 0.15 1 calc R U P C 2
C3B_9 C 0.6625(9) 0.2390(13) 0.1956(18) 0.035(9) Uiso 0.15 1 d D U P C 2
O3B_9 O 0.6285(10) 0.2099(15) 0.1811(17) 0.041(10) Uiso 0.15 1 d D U P C 2
C4B_9 C 0.7005(9) 0.2092(15) 0.1770(13) 0.023(8) Uiso 0.15 1 d DG U P C 2
C5B_9 C 0.7355(13) 0.2380(13) 0.163(3) 0.027(9) Uiso 0.15 1 d G U P C 2
H5B_9 H 0.7373 0.2803 0.1651 0.032 Uiso 0.15 1 calc R U P C 2
C6B_9 C 0.7679(12) 0.205(2) 0.147(3) 0.033(10) Uiso 0.15 1 d G U P C 2
H6B_9 H 0.7919 0.2246 0.1371 0.040 Uiso 0.15 1 calc R U P C 2
C7B_9 C 0.7653(13) 0.1430(19) 0.144(2) 0.033(9) Uiso 0.15 1 d G U P C 2
H7B_9 H 0.7874 0.1204 0.1323 0.040 Uiso 0.15 1 calc R U P C 2
C8B_9 C 0.7302(14) 0.1142(13) 0.157(2) 0.036(9) Uiso 0.15 1 d G U P C 2
H8B_9 H 0.7284 0.0719 0.1555 0.043 Uiso 0.15 1 calc R U P C 2
C9B_9 C 0.6978(10) 0.1473(15) 0.1741(16) 0.035(9) Uiso 0.15 1 d G U P C 2
H9B_9 H 0.6739 0.1276 0.1835 0.042 Uiso 0.15 1 calc R U P C 2
C10B_9 C 0.6397(9) 0.3984(8) 0.2486(11) 0.037(9) Uiso 0.15 1 d DG U P C 2
C11B_9 C 0.6114(9) 0.4273(12) 0.2795(15) 0.057(9) Uiso 0.15 1 d G U P C 2
H11B_9 H 0.5885 0.4059 0.2903 0.069 Uiso 0.15 1 calc R U P C 2
C12B_9 C 0.6165(10) 0.4877(12) 0.2946(16) 0.042(8) Uiso 0.15 1 d G U P C 2
H12B_9 H 0.5971 0.5074 0.3157 0.050 Uiso 0.15 1 calc R U P C 2
C13B_9 C 0.6499(11) 0.5191(9) 0.2788(15) 0.053(10) Uiso 0.15 1 d G U P C 2
H13B_9 H 0.6533 0.5603 0.2891 0.063 Uiso 0.15 1 calc R U P C 2
C14B_9 C 0.6782(9) 0.4902(12) 0.2479(18) 0.064(9) Uiso 0.15 1 d G U P C 2
H14B_9 H 0.7010 0.5116 0.2371 0.077 Uiso 0.15 1 calc R U P C 2
C15B_9 C 0.6731(9) 0.4298(12) 0.2328(16) 0.060(9) Uiso 0.15 1 d G U P C 2
H15B_9 H 0.6925 0.4101 0.2117 0.072 Uiso 0.15 1 calc R U P C 2
O1A_10 O 0.51798(12) 0.33339(16) 0.0786(2) 0.0210(9) Uani 0.85 1 d D U P B 1
C1A_10 C 0.52864(17) 0.3866(2) 0.0717(2) 0.0175(11) Uani 0.85 1 d D U P B 1
C2A_10 C 0.56817(18) 0.4044(3) 0.0608(3) 0.0205(13) Uani 0.85 1 d D U P B 1
H2A_10 H 0.5737 0.4458 0.0579 0.025 Uiso 0.85 1 calc R U P B 1
C3A_10 C 0.59990(17) 0.3635(2) 0.0540(3) 0.0174(12) Uani 0.85 1 d D U P B 1
O3A_10 O 0.59622(12) 0.30725(16) 0.0564(2) 0.0172(8) Uani 0.85 1 d D U P B 1
C4A_10 C 0.64208(10) 0.38665(18) 0.0431(2) 0.0203(12) Uani 0.85 1 d DG U P B 1
C5A_10 C 0.65068(14) 0.44694(16) 0.0373(3) 0.038(2) Uani 0.85 1 d G U P B 1
H5A_10 H 0.6299 0.4759 0.0405 0.046 Uiso 0.85 1 calc R U P B 1
C6A_10 C 0.68973(17) 0.46479(15) 0.0269(3) 0.047(2) Uani 0.85 1 d G U P B 1
H6A_10 H 0.6956 0.5060 0.0229 0.057 Uiso 0.85 1 calc R U P B 1
C7A_10 C 0.72017(12) 0.4224(2) 0.0222(3) 0.0329(16) Uani 0.85 1 d G U P B 1
H7A_10 H 0.7469 0.4346 0.0151 0.039 Uiso 0.85 1 calc R U P B 1
C8A_10 C 0.71157(11) 0.36207(18) 0.0280(2) 0.0267(14) Uani 0.85 1 d G U P B 1
H8A_10 H 0.7324 0.3331 0.0248 0.032 Uiso 0.85 1 calc R U P B 1
C9A_10 C 0.67253(12) 0.34422(14) 0.0384(2) 0.0238(13) Uani 0.85 1 d G U P B 1
H9A_10 H 0.6666 0.3030 0.0423 0.029 Uiso 0.85 1 calc R U P B 1
C10A_10 C 0.49489(10) 0.43170(16) 0.0754(2) 0.0197(12) Uani 0.85 1 d DG U P B 1
C11A_10 C 0.50310(11) 0.49226(18) 0.0852(3) 0.0307(19) Uani 0.85 1 d G U P B 1
H11A_10 H 0.5310 0.5069 0.0889 0.037 Uiso 0.85 1 calc R U P B 1
C12A_10 C 0.47058(15) 0.53134(13) 0.0896(3) 0.037(2) Uani 0.85 1 d G U P B 1
H12A_10 H 0.4762 0.5727 0.0963 0.044 Uiso 0.85 1 calc R U P B 1
C13A_10 C 0.42984(13) 0.50986(16) 0.0842(2) 0.0312(14) Uani 0.85 1 d G U P B 1
H13A_10 H 0.4076 0.5366 0.0872 0.037 Uiso 0.85 1 calc R U P B 1
C14A_10 C 0.42162(9) 0.44930(18) 0.0744(2) 0.0373(16) Uani 0.85 1 d G U P B 1
H14A_10 H 0.3938 0.4346 0.0707 0.045 Uiso 0.85 1 calc R U P B 1
C15A_10 C 0.45414(12) 0.41022(13) 0.0700(2) 0.0302(14) Uani 0.85 1 d G U P B 1
H15A_10 H 0.4485 0.3688 0.0633 0.036 Uiso 0.85 1 calc R U P B 1
O1B_10 O 0.5248(8) 0.3307(10) 0.1162(14) 0.034(6) Uiso 0.15 1 d D U P C 2
C1B_10 C 0.5340(7) 0.3835(10) 0.1043(12) 0.034(7) Uiso 0.15 1 d D U P C 2
C2B_10 C 0.5721(7) 0.4011(12) 0.0874(15) 0.027(8) Uiso 0.15 1 d D U P C 2
H2B_10 H 0.5769 0.4422 0.0805 0.032 Uiso 0.15 1 calc R U P C 2
C3B_10 C 0.6032(8) 0.3587(11) 0.0804(17) 0.031(8) Uiso 0.15 1 d D U P C 2
O3B_10 O 0.6003(10) 0.3033(11) 0.0895(16) 0.041(8) Uiso 0.15 1 d D U P C 2
C4B_10 C 0.6452(7) 0.3805(13) 0.0677(11) 0.031(8) Uiso 0.15 1 d DG U P C 2
C5B_10 C 0.6522(10) 0.4405(12) 0.0570(17) 0.029(9) Uiso 0.15 1 d G U P C 2
H5B_10 H 0.6305 0.4689 0.0572 0.034 Uiso 0.15 1 calc R U P C 2
C6B_10 C 0.6910(12) 0.4590(11) 0.046(2) 0.046(10) Uiso 0.15 1 d G U P C 2
H6B_10 H 0.6958 0.5000 0.0387 0.055 Uiso 0.15 1 calc R U P C 2
C7B_10 C 0.7227(8) 0.4175(16) 0.0457(17) 0.044(10) Uiso 0.15 1 d G U P C 2
H7B_10 H 0.7492 0.4301 0.0381 0.053 Uiso 0.15 1 calc R U P C 2
C8B_10 C 0.7157(8) 0.3575(15) 0.0564(17) 0.045(9) Uiso 0.15 1 d G U P C 2
H8B_10 H 0.7374 0.3291 0.0562 0.054 Uiso 0.15 1 calc R U P C 2
C9B_10 C 0.6769(9) 0.3390(10) 0.0674(15) 0.039(9) Uiso 0.15 1 d G U P C 2
H9B_10 H 0.6721 0.2979 0.0747 0.047 Uiso 0.15 1 calc R U P C 2
C10B_10 C 0.5005(6) 0.4294(11) 0.1106(10) 0.042(8) Uiso 0.15 1 d DG U P C 2
C11B_10 C 0.5022(8) 0.4893(12) 0.0942(17) 0.038(10) Uiso 0.15 1 d G U P C 2
H11B_10 H 0.5254 0.5039 0.0776 0.045 Uiso 0.15 1 calc R U P C 2
C12B_10 C 0.4701(10) 0.5279(9) 0.102(2) 0.032(9) Uiso 0.15 1 d G U P C 2
H12B_10 H 0.4713 0.5688 0.0907 0.039 Uiso 0.15 1 calc R U P C 2
C13B_10 C 0.4362(8) 0.5065(12) 0.1262(16) 0.058(9) Uiso 0.15 1 d G U P C 2
H13B_10 H 0.4143 0.5328 0.1315 0.070 Uiso 0.15 1 calc R U P C 2
C14B_10 C 0.4344(8) 0.4466(13) 0.1426(16) 0.053(9) Uiso 0.15 1 d G U P C 2
H14B_10 H 0.4113 0.4320 0.1592 0.064 Uiso 0.15 1 calc R U P C 2
C15B_10 C 0.4666(8) 0.4080(9) 0.1348(14) 0.048(8) Uiso 0.15 1 d G U P C 2
H15B_10 H 0.4653 0.3671 0.1461 0.058 Uiso 0.15 1 calc R U P C 2
O1A_11 O 0.50404(12) 0.24612(17) 0.1820(2) 0.0186(8) Uani 0.85 1 d D U P B 1
C1A_11 C 0.47574(16) 0.2075(2) 0.1852(2) 0.0179(11) Uani 0.85 1 d D U P B 1
C2A_11 C 0.48235(18) 0.1455(2) 0.1858(3) 0.0201(12) Uani 0.85 1 d D U P B 1
H2A_11 H 0.4604 0.1199 0.1930 0.024 Uiso 0.85 1 calc R U P B 1
C3A_11 C 0.52010(17) 0.1197(2) 0.1761(3) 0.0185(13) Uani 0.85 1 d D U P B 1
O3A_11 O 0.54888(12) 0.14798(16) 0.1575(2) 0.0157(8) Uani 0.85 1 d D U P B 1
C4A_11 C 0.52838(16) 0.05410(14) 0.1896(2) 0.0245(17) Uani 0.85 1 d DG U P B 1
C5A_11 C 0.51172(13) 0.02263(16) 0.2357(2) 0.0258(13) Uani 0.85 1 d G U P B 1
H5A_11 H 0.4938 0.0422 0.2596 0.031 Uiso 0.85 1 calc R U P B 1
C6A_11 C 0.52133(14) -0.03743(16) 0.2468(2) 0.0300(14) Uani 0.85 1 d G U P B 1
H6A_11 H 0.5099 -0.0589 0.2783 0.036 Uiso 0.85 1 calc R U P B 1
C7A_11 C 0.54760(14) -0.06601(14) 0.2119(2) 0.0274(13) Uani 0.85 1 d G U P B 1
H7A_11 H 0.5542 -0.1071 0.2195 0.033 Uiso 0.85 1 calc R U P B 1
C8A_11 C 0.56425(16) -0.0345(2) 0.1658(2) 0.0262(17) Uani 0.85 1 d G U P B 1
H8A_11 H 0.5822 -0.0541 0.1419 0.031 Uiso 0.85 1 calc R U P B 1
C9A_11 C 0.55465(19) 0.0255(2) 0.1547(3) 0.026(2) Uani 0.85 1 d G U P B 1
H9A_11 H 0.5660 0.0470 0.1232 0.031 Uiso 0.85 1 calc R U P B 1
C10A_11 C 0.43179(9) 0.23225(17) 0.1834(2) 0.0251(13) Uani 0.85 1 d DG U P B 1
C11A_11 C 0.39702(12) 0.19589(14) 0.1827(2) 0.0350(15) Uani 0.85 1 d G U P B 1
H11A_11 H 0.4003 0.1538 0.1855 0.042 Uiso 0.85 1 calc R U P B 1
C12A_11 C 0.35739(10) 0.2211(2) 0.1780(3) 0.0468(19) Uani 0.85 1 d G U P B 1
H12A_11 H 0.3336 0.1963 0.1775 0.056 Uiso 0.85 1 calc R U P B 1
C13A_11 C 0.35253(10) 0.2827(2) 0.1739(3) 0.053(2) Uani 0.85 1 d G U P B 1
H13A_11 H 0.3254 0.3000 0.1707 0.064 Uiso 0.85 1 calc R U P B 1
C14A_11 C 0.38729(14) 0.31908(15) 0.1746(3) 0.052(2) Uani 0.85 1 d G U P B 1
H14A_11 H 0.3840 0.3612 0.1718 0.062 Uiso 0.85 1 calc R U P B 1
C15A_11 C 0.42692(11) 0.29385(16) 0.1793(3) 0.0385(17) Uani 0.85 1 d G U P B 1
H15A_11 H 0.4507 0.3187 0.1798 0.046 Uiso 0.85 1 calc R U P B 1
O1B_11 O 0.5106(8) 0.2373(11) 0.2184(16) 0.041(7) Uiso 0.15 1 d D U P C 2
C1B_11 C 0.4828(7) 0.1995(9) 0.2242(12) 0.027(6) Uiso 0.15 1 d D U P C 2
C2B_11 C 0.4869(8) 0.1376(10) 0.2158(14) 0.022(7) Uiso 0.15 1 d D U P C 2
H2B_11 H 0.4648 0.1116 0.2213 0.026 Uiso 0.15 1 calc R U P C 2
C3B_11 C 0.5235(9) 0.1138(10) 0.1992(18) 0.027(8) Uiso 0.15 1 d D U P C 2
O3B_11 O 0.5546(9) 0.1440(12) 0.1894(16) 0.041(8) Uiso 0.15 1 d D U P C 2
C4B_11 C 0.5268(10) 0.0468(8) 0.1915(13) 0.033(9) Uiso 0.15 1 d DG U P C 2
C5B_11 C 0.4997(8) 0.0068(11) 0.2124(14) 0.037(8) Uiso 0.15 1 d G U P C 2
H5B_11 H 0.4778 0.0211 0.2321 0.044 Uiso 0.15 1 calc R U P C 2
C6B_11 C 0.5047(8) -0.0542(10) 0.2045(15) 0.038(7) Uiso 0.15 1 d G U P C 2
H6B_11 H 0.4862 -0.0816 0.2188 0.046 Uiso 0.15 1 calc R U P C 2
C7B_11 C 0.5368(9) -0.0751(9) 0.1756(15) 0.034(7) Uiso 0.15 1 d G U P C 2
H7B_11 H 0.5402 -0.1167 0.1701 0.040 Uiso 0.15 1 calc R U P C 2
C8B_11 C 0.5639(11) -0.0350(14) 0.155(2) 0.045(10) Uiso 0.15 1 d G U P C 2
H8B_11 H 0.5858 -0.0493 0.1349 0.054 Uiso 0.15 1 calc R U P C 2
C9B_11 C 0.5589(11) 0.0259(13) 0.1626(19) 0.022(9) Uiso 0.15 1 d G U P C 2
H9B_11 H 0.5774 0.0533 0.1483 0.026 Uiso 0.15 1 calc R U P C 2
C10B_11 C 0.4403(6) 0.2232(11) 0.2330(9) 0.039(7) Uiso 0.15 1 d DG U P C 2
C11B_11 C 0.4078(8) 0.1849(8) 0.2393(14) 0.050(9) Uiso 0.15 1 d G U P C 2
H11B_11 H 0.4118 0.1429 0.2386 0.061 Uiso 0.15 1 calc R U P C 2
C12B_11 C 0.3693(7) 0.2079(11) 0.2467(16) 0.052(9) Uiso 0.15 1 d G U P C 2
H12B_11 H 0.3471 0.1817 0.2510 0.062 Uiso 0.15 1 calc R U P C 2
C13B_11 C 0.3634(6) 0.2693(12) 0.2477(14) 0.050(9) Uiso 0.15 1 d G U P C 2
H13B_11 H 0.3371 0.2851 0.2527 0.060 Uiso 0.15 1 calc R U P C 2
C14B_11 C 0.3960(8) 0.3076(9) 0.2414(16) 0.055(9) Uiso 0.15 1 d G U P C 2
H14B_11 H 0.3919 0.3496 0.2422 0.066 Uiso 0.15 1 calc R U P C 2
C15B_11 C 0.4344(7) 0.2846(10) 0.2341(14) 0.046(8) Uiso 0.15 1 d G U P C 2
H15B_11 H 0.4567 0.3108 0.2298 0.055 Uiso 0.15 1 calc R U P C 2
O1A_12 O 0.56605(13) 0.17622(17) 0.0319(2) 0.0174(9) Uani 0.85 1 d D U P B 1
C1A_12 C 0.54492(18) 0.1336(2) 0.0012(3) 0.0175(12) Uani 0.85 1 d D U P B 1
C2A_12 C 0.50111(17) 0.1339(2) -0.0190(3) 0.0194(12) Uani 0.85 1 d D U P B 1
H2A_12 H 0.4879 0.1025 -0.0464 0.023 Uiso 0.85 1 calc R U P B 1
C3A_12 C 0.47557(16) 0.1791(2) -0.0004(3) 0.0175(11) Uani 0.85 1 d D U P B 1
O3A_12 O 0.48823(13) 0.21884(17) 0.0420(2) 0.0197(9) Uani 0.85 1 d D U P B 1
C4A_12 C 0.42959(9) 0.17980(18) -0.03200(18) 0.0225(12) Uani 0.85 1 d DG U P B
1
C5A_12 C 0.40012(12) 0.1884(2) 0.00673(15) 0.0321(14) Uani 0.85 1 d G U P B 1
H5A_12 H 0.4092 0.1938 0.0528 0.039 Uiso 0.85 1 calc R U P B 1
C6A_12 C 0.35738(11) 0.1891(2) -0.0219(2) 0.0401(17) Uani 0.85 1 d G U P B 1
H6A_12 H 0.3372 0.1950 0.0046 0.048 Uiso 0.85 1 calc R U P B 1
C7A_12 C 0.34411(9) 0.1813(2) -0.0892(2) 0.0431(18) Uani 0.85 1 d G U P B 1
H7A_12 H 0.3149 0.1818 -0.1088 0.052 Uiso 0.85 1 calc R U P B 1
C8A_12 C 0.37357(12) 0.1727(2) -0.12794(15) 0.0399(17) Uani 0.85 1 d G U P B 1
H8A_12 H 0.3645 0.1673 -0.1740 0.048 Uiso 0.85 1 calc R U P B 1
C9A_12 C 0.41631(11) 0.17194(19) -0.09934(17) 0.0273(13) Uani 0.85 1 d G U P B
1
H9A_12 H 0.4364 0.1661 -0.1258 0.033 Uiso 0.85 1 calc R U P B 1
C10A_12 C 0.56986(13) 0.07883(16) -0.0101(2) 0.0204(12) Uani 0.85 1 d DG U P B
1
C11A_12 C 0.61216(13) 0.0771(2) 0.0209(2) 0.0261(14) Uani 0.85 1 d G U P B 1
H11A_12 H 0.6246 0.1102 0.0462 0.031 Uiso 0.85 1 calc R U P B 1
C12A_12 C 0.63622(13) 0.0269(3) 0.0150(3) 0.0347(18) Uani 0.85 1 d G U P B 1
H12A_12 H 0.6651 0.0257 0.0362 0.042 Uiso 0.85 1 calc R U P B 1
C13A_12 C 0.61798(19) -0.0215(2) -0.0221(3) 0.043(2) Uani 0.85 1 d G U P B 1
H13A_12 H 0.6344 -0.0558 -0.0262 0.051 Uiso 0.85 1 calc R U P B 1
C14A_12 C 0.5757(2) -0.0198(2) -0.0532(3) 0.044(2) Uani 0.85 1 d G U P B 1
H14A_12 H 0.5632 -0.0529 -0.0785 0.053 Uiso 0.85 1 calc R U P B 1
C15A_12 C 0.55161(13) 0.0304(2) -0.0472(2) 0.0301(15) Uani 0.85 1 d G U P B 1
H15A_12 H 0.5227 0.0316 -0.0684 0.036 Uiso 0.85 1 calc R U P B 1
O1B_12 O 0.5682(10) 0.1760(12) 0.0603(14) 0.037(8) Uiso 0.15 1 d D U P C 2
C1B_12 C 0.5465(7) 0.1357(10) 0.0268(12) 0.014(7) Uiso 0.15 1 d D U P C 2
C2B_12 C 0.5022(7) 0.1356(12) 0.0114(14) 0.029(8) Uiso 0.15 1 d D U P C 2
H2B_12 H 0.4880 0.1041 -0.0147 0.034 Uiso 0.15 1 calc R U P C 2
C3B_12 C 0.4783(6) 0.1805(12) 0.0334(16) 0.028(7) Uiso 0.15 1 d D U P C 2
O3B_12 O 0.4913(8) 0.2215(11) 0.0734(13) 0.025(6) Uiso 0.15 1 d D U P C 2
C4B_12 C 0.4306(5) 0.1782(8) 0.0106(13) 0.035(7) Uiso 0.15 1 d DG U P C 2
C5B_12 C 0.4043(7) 0.1871(12) 0.0544(10) 0.042(8) Uiso 0.15 1 d G U P C 2
H5B_12 H 0.4161 0.1946 0.0994 0.051 Uiso 0.15 1 calc R U P C 2
C6B_12 C 0.3609(7) 0.1850(13) 0.0323(13) 0.046(8) Uiso 0.15 1 d G U P C 2
H6B_12 H 0.3429 0.1911 0.0622 0.055 Uiso 0.15 1 calc R U P C 2
C7B_12 C 0.3437(5) 0.1741(12) -0.0335(14) 0.040(9) Uiso 0.15 1 d G U P C 2
H7B_12 H 0.3140 0.1727 -0.0486 0.048 Uiso 0.15 1 calc R U P C 2
C8B_12 C 0.3700(8) 0.1652(13) -0.0773(10) 0.040(7) Uiso 0.15 1 d G U P C 2
H8B_12 H 0.3583 0.1578 -0.1223 0.048 Uiso 0.15 1 calc R U P C 2
C9B_12 C 0.4135(7) 0.1673(12) -0.0552(12) 0.037(8) Uiso 0.15 1 d G U P C 2
H9B_12 H 0.4315 0.1613 -0.0851 0.045 Uiso 0.15 1 calc R U P C 2
C10B_12 C 0.5709(9) 0.0808(10) 0.0138(12) 0.031(8) Uiso 0.15 1 d DG U P C 2
C11B_12 C 0.6135(10) 0.0793(14) 0.0427(16) 0.036(9) Uiso 0.15 1 d G U P C 2
H11B_12 H 0.6262 0.1119 0.0687 0.043 Uiso 0.15 1 calc R U P C 2
C12B_12 C 0.6377(9) 0.0301(19) 0.0336(19) 0.044(10) Uiso 0.15 1 d G U P C 2
H12B_12 H 0.6669 0.0291 0.0534 0.053 Uiso 0.15 1 calc R U P C 2
C13B_12 C 0.6192(12) -0.0176(14) -0.0045(18) 0.029(9) Uiso 0.15 1 d G U P C 2
H13B_12 H 0.6357 -0.0512 -0.0107 0.035 Uiso 0.15 1 calc R U P C 2
C14B_12 C 0.5765(12) -0.0161(12) -0.0334(17) 0.030(8) Uiso 0.15 1 d G U P C 2
H14B_12 H 0.5639 -0.0487 -0.0594 0.036 Uiso 0.15 1 calc R U P C 2
C15B_12 C 0.5524(9) 0.0331(14) -0.0243(15) 0.033(9) Uiso 0.15 1 d G U P C 2
H15B_12 H 0.5232 0.0342 -0.0440 0.039 Uiso 0.15 1 calc R U P C 2


_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
EuA_1 O1_7 2.342(3) . ?
EuA_1 O3A_6 2.356(3) . ?
EuA_1 O1_5 2.372(3) . ?
EuA_1 O3_5 2.374(3) . ?
EuA_1 O1_8 2.423(3) . ?
EuA_1 O3_7 2.425(3) . ?
EuA_1 O1A_6 2.428(3) . ?
EuA_1 O3_8 2.439(3) . ?
EuB_1 O1_8 2.174(4) . ?
EuB_1 O3_7 2.253(4) . ?
EuB_1 O1_7 2.263(4) . ?
EuB_1 O3_8 2.271(5) . ?
EuB_1 O3B_6 2.496(5) . ?
EuB_1 O3_5 2.517(4) . ?
EuB_1 O1_5 2.611(4) . ?
EuB_1 O1B_6 2.666(4) . ?
EuB_1 C1_8 3.195(5) . ?
EuB_1 C3_8 3.257(6) . ?
EuA_2 O1A_10 2.341(4) . ?
EuA_2 O3A_9 2.360(5) . ?
EuA_2 O1A_12 2.380(4) . ?
EuA_2 O3A_11 2.387(4) . ?
EuA_2 O1A_11 2.397(4) . ?
EuA_2 O3A_12 2.416(4) . ?
EuA_2 O3A_10 2.418(4) . ?
EuA_2 O1A_9 2.418(4) . ?
EuB_2 O1B_10 2.31(2) . ?
EuB_2 O3B_9 2.32(3) . ?
EuB_2 O1B_11 2.37(3) . ?
EuB_2 O3B_11 2.37(3) . ?
EuB_2 O3B_10 2.42(3) . ?
EuB_2 O1B_9 2.41(3) . ?
EuB_2 O1B_12 2.42(3) . ?
EuB_2 O3B_12 2.46(2) . ?
C2BA_3 C1B_3 1.535(7) . ?
C2BA_3 C3BA_3 1.563(11) . ?
C2BA_3 H2B1_3 0.9900 . ?
C2BA_3 H2B2_3 0.9900 . ?
C3BA_3 C4BA_3 1.526(13) . ?
C3BA_3 H3B1_3 0.9900 . ?
C3BA_3 H3B2_3 0.9900 . ?
C4BA_3 C5BA_3 1.543(15) . ?
C4BA_3 H4B1_3 0.9900 . ?
C4BA_3 H4B2_3 0.9900 . ?
C5BA_3 C6BA_3 1.549(14) . ?
C5BA_3 H5B1_3 0.9900 . ?
C5BA_3 H5B2_3 0.9900 . ?
C6BA_3 C7BA_3 1.513(16) . ?
C6BA_3 H6B1_3 0.9900 . ?
C6BA_3 H6B2_3 0.9900 . ?
C7BA_3 C8BA_3 1.504(16) . ?
C7BA_3 H7B1_3 0.9900 . ?
C7BA_3 H7B2_3 0.9900 . ?
C8BA_3 H8B1_3 0.9800 . ?
C8BA_3 H8B2_3 0.9800 . ?
C8BA_3 H8B3_3 0.9800 . ?
C2BB_3 C1B_3 1.535(7) . ?
C2BB_3 C3BB_3 1.58(3) . ?
C2BB_3 H2B3_3 0.9900 . ?
C2BB_3 H2B4_3 0.9900 . ?
C3BB_3 C4BB_3 1.55(5) . ?
C3BB_3 H3B3_3 0.9900 . ?
C3BB_3 H3B4_3 0.9900 . ?
C4BB_3 C5BB_3 1.52(4) . ?
C4BB_3 H4B3_3 0.9900 . ?
C4BB_3 H4B4_3 0.9900 . ?
C5BB_3 C6BB_3 1.61(5) . ?
C5BB_3 H5B3_3 0.9900 . ?
C5BB_3 H5B4_3 0.9900 . ?
C6BB_3 C7BB_3 1.33(5) . ?
C6BB_3 H6B3_3 0.9900 . ?
C6BB_3 H6B4_3 0.9900 . ?
C7BB_3 C8BB_3 1.51(5) . ?
C7BB_3 H7B3_3 0.9900 . ?
C7BB_3 H7B4_3 0.9900 . ?
C8BB_3 H8B4_3 0.9800 . ?
C8BB_3 H8B5_3 0.9800 . ?
C8BB_3 H8B6_3 0.9800 . ?
C2BC_3 C3BC_3 1.41(7) . ?
C2BC_3 C1B_3 1.535(7) . ?
C2BC_3 H2B5_3 0.9900 . ?
C2BC_3 H2B6_3 0.9900 . ?
C3BC_3 C4BC_3 1.64(10) . ?
C3BC_3 H3B5_3 0.9900 . ?
C3BC_3 H3B6_3 0.9900 . ?
C4BC_3 C5BC_3 1.49(10) . ?
C4BC_3 H4B5_3 0.9900 . ?
C4BC_3 H4B6_3 0.9900 . ?
C5BC_3 C6BC_3 1.53(9) . ?
C5BC_3 H5B5_3 0.9900 . ?
C5BC_3 H5B6_3 0.9900 . ?
C6BC_3 C7BC_3 1.53(9) . ?
C6BC_3 H6B5_3 0.9900 . ?
C6BC_3 H6B6_3 0.9900 . ?
C7BC_3 C8BC_3 1.39(9) . ?
C7BC_3 H7B5_3 0.9900 . ?
C7BC_3 H7B6_3 0.9900 . ?
C8BC_3 H8B7_3 0.9800 . ?
C8BC_3 H8B8_3 0.9800 . ?
C8BC_3 H8B9_3 0.9800 . ?
P_3 CME_3 1.794(5) . ?
P_3 C1B_3 1.796(5) . ?
P_3 C1A_3 1.805(5) . ?
P_3 C1C_3 1.806(5) . ?
CME_3 HME1_3 0.9800 . ?
CME_3 HME2_3 0.9800 . ?
CME_3 HME3_3 0.9800 . ?
C1A_3 C2A_3 1.530(7) . ?
C1A_3 H1A1_3 0.9900 . ?
C1A_3 H1A2_3 0.9900 . ?
C2A_3 C3A_3 1.539(7) . ?
C2A_3 H2A1_3 0.9900 . ?
C2A_3 H2A2_3 0.9900 . ?
C3A_3 C4A_3 1.535(7) . ?
C3A_3 H3A1_3 0.9900 . ?
C3A_3 H3A2_3 0.9900 . ?
C4A_3 C5A_3 1.535(8) . ?
C4A_3 H4A1_3 0.9900 . ?
C4A_3 H4A2_3 0.9900 . ?
C5A_3 C6A_3 1.522(8) . ?
C5A_3 H5A1_3 0.9900 . ?
C5A_3 H5A2_3 0.9900 . ?
C6A_3 C7A_3 1.534(8) . ?
C6A_3 H6A1_3 0.9900 . ?
C6A_3 H6A2_3 0.9900 . ?
C7A_3 C8A_3 1.536(9) . ?
C7A_3 H7A1_3 0.9900 . ?
C7A_3 H7A2_3 0.9900 . ?
C8A_3 H8A1_3 0.9800 . ?
C8A_3 H8A2_3 0.9800 . ?
C8A_3 H8A3_3 0.9800 . ?
C1B_3 H1B1_3 0.9900 . ?
C1B_3 H1B2_3 0.9900 . ?
C1C_3 C2C_3 1.532(7) . ?
C1C_3 H1C1_3 0.9900 . ?
C1C_3 H1C2_3 0.9900 . ?
C2C_3 C3C_3 1.534(7) . ?
C2C_3 H2C1_3 0.9900 . ?
C2C_3 H2C2_3 0.9900 . ?
C3C_3 C4C_3 1.521(8) . ?
C3C_3 H3C1_3 0.9900 . ?
C3C_3 H3C2_3 0.9900 . ?
C4C_3 C5C_3 1.562(8) . ?
C4C_3 H4C1_3 0.9900 . ?
C4C_3 H4C2_3 0.9900 . ?
C5C_3 C6C_3 1.516(9) . ?
C5C_3 H5C1_3 0.9900 . ?
C5C_3 H5C2_3 0.9900 . ?
C6C_3 C7C_3 1.575(11) . ?
C6C_3 H6C1_3 0.9900 . ?
C6C_3 H6C2_3 0.9900 . ?
C7C_3 C8C_3 1.425(13) . ?
C7C_3 H7C1_3 0.9900 . ?
C7C_3 H7C2_3 0.9900 . ?
C8C_3 H8C1_3 0.9800 . ?
C8C_3 H8C2_3 0.9800 . ?
C8C_3 H8C3_3 0.9800 . ?
PA_4 CMEA_4 1.792(7) . ?
PA_4 C1CA_4 1.794(6) . ?
PA_4 C1AA_4 1.795(5) . ?
PA_4 C1BA_4 1.796(7) . ?
CMEA_4 HME1_4 0.9800 . ?
CMEA_4 HME2_4 0.9800 . ?
CMEA_4 HME3_4 0.9800 . ?
C1AA_4 C2AA_4 1.514(8) . ?
C1AA_4 H1A1_4 0.9900 . ?
C1AA_4 H1A2_4 0.9900 . ?
C2AA_4 C3AA_4 1.533(8) . ?
C2AA_4 H2A1_4 0.9900 . ?
C2AA_4 H2A2_4 0.9900 . ?
C3AA_4 C4AA_4 1.516(9) . ?
C3AA_4 H3A1_4 0.9900 . ?
C3AA_4 H3A2_4 0.9900 . ?
C4AA_4 C5AA_4 1.533(9) . ?
C4AA_4 H4A1_4 0.9900 . ?
C4AA_4 H4A2_4 0.9900 . ?
C5AA_4 C6AA_4 1.508(9) . ?
C5AA_4 H5A1_4 0.9900 . ?
C5AA_4 H5A2_4 0.9900 . ?
C6AA_4 C7AA_4 1.544(10) . ?
C6AA_4 H6A1_4 0.9900 . ?
C6AA_4 H6A2_4 0.9900 . ?
C7AA_4 C8AA_4 1.483(10) . ?
C7AA_4 H7A1_4 0.9900 . ?
C7AA_4 H7A2_4 0.9900 . ?
C8AA_4 H8A1_4 0.9800 . ?
C8AA_4 H8A2_4 0.9800 . ?
C8AA_4 H8A3_4 0.9800 . ?
C1BA_4 C2BA_4 1.528(9) . ?
C1BA_4 H1B1_4 0.9900 . ?
C1BA_4 H1B2_4 0.9900 . ?
C2BA_4 C3BA_4 1.552(9) . ?
C2BA_4 H2B1_4 0.9900 . ?
C2BA_4 H2B2_4 0.9900 . ?
C5BA_4 C6BA_4 1.65(3) . ?
C5BA_4 C4BA_4 1.63(2) . ?
C5BA_4 H5B1_4 0.9900 . ?
C5BA_4 H5B2_4 0.9900 . ?
C6BA_4 C7BA_4 1.37(2) . ?
C6BA_4 H6B1_4 0.9900 . ?
C6BA_4 H6B2_4 0.9900 . ?
C7BA_4 C8BA_4 1.574(19) . ?
C7BA_4 H7B1_4 0.9900 . ?
C7BA_4 H7B2_4 0.9900 . ?
C1CA_4 C2CA_4 1.538(8) . ?
C1CA_4 H1C1_4 0.9900 . ?
C1CA_4 H1C2_4 0.9900 . ?
C2CA_4 C3CA_4 1.541(8) . ?
C2CA_4 H2C1_4 0.9900 . ?
C2CA_4 H2C2_4 0.9900 . ?
C3CA_4 C4CA_4 1.539(9) . ?
C3CA_4 H3C1_4 0.9900 . ?
C3CA_4 H3C2_4 0.9900 . ?
C4CA_4 C5CA_4 1.532(8) . ?
C4CA_4 H4C1_4 0.9900 . ?
C4CA_4 H4C2_4 0.9900 . ?
C5CA_4 C6CA_4 1.527(10) . ?
C5CA_4 H5C1_4 0.9900 . ?
C5CA_4 H5C2_4 0.9900 . ?
C6CA_4 C7CA_4 1.537(9) . ?
C6CA_4 H6C1_4 0.9900 . ?
C6CA_4 H6C2_4 0.9900 . ?
C7CA_4 C8CA_4 1.517(13) . ?
C7CA_4 H7C1_4 0.9900 . ?
C7CA_4 H7C2_4 0.9900 . ?
C8CA_4 H8C1_4 0.9800 . ?
C8CA_4 H8C2_4 0.9800 . ?
C8CA_4 H8C3_4 0.9800 . ?
C8BA_4 H8B1_4 0.9800 . ?
C8BA_4 H8B2_4 0.9800 . ?
C8BA_4 H8B3_4 0.9800 . ?
C3BA_4 C4BA_4 1.505(11) . ?
C3BA_4 H3B1_4 0.9900 . ?
C3BA_4 H3B2_4 0.9900 . ?
C4BA_4 H4B1_4 0.9900 . ?
C4BA_4 H4B2_4 0.9900 . ?
PB_4 C1BB_4 1.71(5) . ?
PB_4 C1AB_4 1.75(4) . ?
PB_4 C1CB_4 1.76(5) . ?
PB_4 CMEB_4 1.80(5) . ?
CMEB_4 HME4_4 0.9800 . ?
CMEB_4 HME5_4 0.9800 . ?
CMEB_4 HME6_4 0.9800 . ?
C1AB_4 C2AB_4 1.46(6) . ?
C1AB_4 H1A3_4 0.9900 . ?
C1AB_4 H1A4_4 0.9900 . ?
C2AB_4 C3AB_4 1.51(6) . ?
C2AB_4 H2A3_4 0.9900 . ?
C2AB_4 H2A4_4 0.9900 . ?
C3AB_4 C4AB_4 1.49(6) . ?
C3AB_4 H3A3_4 0.9900 . ?
C3AB_4 H3A4_4 0.9900 . ?
C4AB_4 C5AB_4 1.58(7) . ?
C4AB_4 H4A3_4 0.9900 . ?
C4AB_4 H4A4_4 0.9900 . ?
C5AB_4 C6AB_4 1.44(7) . ?
C5AB_4 H5A3_4 0.9900 . ?
C5AB_4 H5A4_4 0.9900 . ?
C6AB_4 C7AB_4 1.70(7) . ?
C6AB_4 H6A3_4 0.9900 . ?
C6AB_4 H6A4_4 0.9900 . ?
C7AB_4 C8AB_4 1.65(8) . ?
C7AB_4 H7A3_4 0.9900 . ?
C7AB_4 H7A4_4 0.9900 . ?
C8AB_4 H8A4_4 0.9800 . ?
C8AB_4 H8A5_4 0.9800 . ?
C8AB_4 H8A6_4 0.9800 . ?
C1BB_4 C2BB_4 1.52(6) . ?
C1BB_4 H1B3_4 0.9900 . ?
C1BB_4 H1B4_4 0.9900 . ?
C2BB_4 C3BB_4 1.25(5) . ?
C2BB_4 H2B3_4 0.9900 . ?
C2BB_4 H2B4_4 0.9900 . ?
C3BB_4 C4BB_4 1.505(11) . ?
C3BB_4 H3B3_4 0.9900 . ?
C3BB_4 H3B4_4 0.9900 . ?
C4BB_4 C5BB_4 1.39(3) . ?
C4BB_4 H4B3_4 0.9900 . ?
C4BB_4 H4B4_4 0.9900 . ?
C5BB_4 C6BB_4 1.44(3) . ?
C5BB_4 H5B3_4 0.9900 . ?
C5BB_4 H5B4_4 0.9900 . ?
C6BB_4 C7BB_4 1.582(16) . ?
C6BB_4 H6B3_4 0.9900 . ?
C6BB_4 H6B4_4 0.9900 . ?
C7BB_4 C8BB_4 1.544(15) . ?
C7BB_4 H7B3_4 0.9900 . ?
C7BB_4 H7B4_4 0.9900 . ?
C8BB_4 H8BA_4 0.9800 . ?
C8BB_4 H8BB_4 0.9800 . ?
C8BB_4 H8BC_4 0.9800 . ?
C1CB_4 C2CB_4 1.55(6) . ?
C1CB_4 H1C3_4 0.9900 . ?
C1CB_4 H1C4_4 0.9900 . ?
C2CB_4 C3CB_4 1.58(6) . ?
C2CB_4 H2C3_4 0.9900 . ?
C2CB_4 H2C4_4 0.9900 . ?
C3CB_4 C4CB_4 1.59(6) . ?
C3CB_4 H3C3_4 0.9900 . ?
C3CB_4 H3C4_4 0.9900 . ?
C4CB_4 C5CB_4 1.51(6) . ?
C4CB_4 H4C3_4 0.9900 . ?
C4CB_4 H4C4_4 0.9900 . ?
C5CB_4 C6CB_4 1.50(6) . ?
C5CB_4 H5C3_4 0.9900 . ?
C5CB_4 H5C4_4 0.9900 . ?
C6CB_4 C7CB_4 1.57(7) . ?
C6CB_4 H6C3_4 0.9900 . ?
C6CB_4 H6C4_4 0.9900 . ?
C7CB_4 C8CB_4 1.41(7) . ?
C7CB_4 H7C3_4 0.9900 . ?
C7CB_4 H7C4_4 0.9900 . ?
C8CB_4 H8C4_4 0.9800 . ?
C8CB_4 H8C5_4 0.9800 . ?
C8CB_4 H8C6_4 0.9800 . ?
O1_5 C1_5 1.277(6) . ?
C1_5 C2_5 1.390(7) . ?
C1_5 C10_5 1.523(5) . ?
C2_5 C3_5 1.415(7) . ?
C2_5 H2_5 0.9500 . ?
C3_5 O3_5 1.257(6) . ?
C3_5 C4_5 1.522(5) . ?
C4_5 C5_5 1.3900 . ?
C4_5 C9_5 1.3900 . ?
C5_5 C6_5 1.3900 . ?
C5_5 H5_5 0.9500 . ?
C6_5 C7_5 1.3900 . ?
C6_5 H6_5 0.9500 . ?
C7_5 C8_5 1.3900 . ?
C7_5 H7_5 0.9500 . ?
C8_5 C9_5 1.3900 . ?
C8_5 H8_5 0.9500 . ?
C9_5 H9_5 0.9500 . ?
C10_5 C11_5 1.3900 . ?
C10_5 C15_5 1.3900 . ?
C11_5 C12_5 1.3900 . ?
C11_5 H11_5 0.9500 . ?
C12_5 C13_5 1.3900 . ?
C12_5 H12_5 0.9500 . ?
C13_5 C14_5 1.3900 . ?
C13_5 H13_5 0.9500 . ?
C14_5 C15_5 1.3900 . ?
C14_5 H14_5 0.9500 . ?
C15_5 H15_5 0.9500 . ?
O1A_6 C1A_6 1.266(7) . ?
C1A_6 C2A_6 1.412(8) . ?
C1A_6 C10A_6 1.522(7) . ?
C2A_6 C3A_6 1.399(7) . ?
C2A_6 H2A_6 0.9500 . ?
C3A_6 O3A_6 1.277(6) . ?
C3A_6 C4A_6 1.524(6) . ?
C4A_6 C5A_6 1.3900 . ?
C4A_6 C9A_6 1.3900 . ?
C5A_6 C6A_6 1.3900 . ?
C5A_6 H5A_6 0.9500 . ?
C6A_6 C7A_6 1.3900 . ?
C6A_6 H6A_6 0.9500 . ?
C7A_6 C8A_6 1.3900 . ?
C7A_6 H7A_6 0.9500 . ?
C8A_6 C9A_6 1.3900 . ?
C8A_6 H8A_6 0.9500 . ?
C9A_6 H9A_6 0.9500 . ?
C10A_6 C11A_6 1.3900 . ?
C10A_6 C15A_6 1.3900 . ?
C11A_6 C12A_6 1.3900 . ?
C11A_6 H11A_6 0.9500 . ?
C12A_6 C13A_6 1.3900 . ?
C12A_6 H12A_6 0.9500 . ?
C13A_6 C14A_6 1.3900 . ?
C13A_6 H13A_6 0.9500 . ?
C14A_6 C15A_6 1.3900 . ?
C14A_6 H14A_6 0.9500 . ?
C15A_6 H15A_6 0.9500 . ?
O1B_6 C1B_6 1.272(18) . ?
C1B_6 C2B_6 1.411(18) . ?
C1B_6 C10B_6 1.523(18) . ?
C2B_6 C3B_6 1.410(18) . ?
C2B_6 H2B_6 0.9500 . ?
C3B_6 O3B_6 1.264(18) . ?
C3B_6 C4B_6 1.537(17) . ?
C4B_6 C5B_6 1.3900 . ?
C4B_6 C9B_6 1.3900 . ?
C5B_6 C6B_6 1.3900 . ?
C5B_6 H5B_6 0.9500 . ?
C6B_6 C7B_6 1.3900 . ?
C6B_6 H6B_6 0.9500 . ?
C7B_6 C8B_6 1.3900 . ?
C7B_6 H7B_6 0.9500 . ?
C8B_6 C9B_6 1.3900 . ?
C8B_6 H8B_6 0.9500 . ?
C9B_6 H9B_6 0.9500 . ?
C10B_6 C11B_6 1.3900 . ?
C10B_6 C15B_6 1.3900 . ?
C11B_6 C12B_6 1.3900 . ?
C11B_6 H11B_6 0.9500 . ?
C12B_6 C13B_6 1.3900 . ?
C12B_6 H12B_6 0.9500 . ?
C13B_6 C14B_6 1.3900 . ?
C13B_6 H13B_6 0.9500 . ?
C14B_6 C15B_6 1.3900 . ?
C14B_6 H14B_6 0.9500 . ?
C15B_6 H15B_6 0.9500 . ?
O1_7 C1_7 1.264(6) . ?
C1_7 C2_7 1.402(7) . ?
C1_7 C10_7 1.520(5) . ?
C2_7 C3_7 1.405(7) . ?
C2_7 H2_7 0.9500 . ?
C3_7 O3_7 1.271(6) . ?
C3_7 C4_7 1.529(5) . ?
C4_7 C5_7 1.3900 . ?
C4_7 C9_7 1.3900 . ?
C5_7 C6_7 1.3900 . ?
C5_7 H5_7 0.9500 . ?
C6_7 C7_7 1.3900 . ?
C6_7 H6_7 0.9500 . ?
C7_7 C8_7 1.3900 . ?
C7_7 H7_7 0.9500 . ?
C8_7 C9_7 1.3900 . ?
C8_7 H8_7 0.9500 . ?
C9_7 H9_7 0.9500 . ?
C10_7 C11_7 1.3900 . ?
C10_7 C15_7 1.3900 . ?
C11_7 C12_7 1.3900 . ?
C11_7 H11_7 0.9500 . ?
C12_7 C13_7 1.3900 . ?
C12_7 H12_7 0.9500 . ?
C13_7 C14_7 1.3900 . ?
C13_7 H13_7 0.9500 . ?
C14_7 C15_7 1.3900 . ?
C14_7 H14_7 0.9500 . ?
C15_7 H15_7 0.9500 . ?
O1_8 C1_8 1.273(6) . ?
C1_8 C2_8 1.396(7) . ?
C1_8 C10_8 1.522(5) . ?
C2_8 C3_8 1.417(6) . ?
C2_8 H2_8 0.9500 . ?
C3_8 O3_8 1.254(6) . ?
C3_8 C4_8 1.505(5) . ?
C4_8 C5_8 1.3900 . ?
C4_8 C9_8 1.3900 . ?
C5_8 C6_8 1.3900 . ?
C5_8 H5_8 0.9500 . ?
C6_8 C7_8 1.3900 . ?
C6_8 H6_8 0.9500 . ?
C7_8 C8_8 1.3900 . ?
C7_8 H7_8 0.9500 . ?
C8_8 C9_8 1.3900 . ?
C8_8 H8_8 0.9500 . ?
C9_8 H9_8 0.9500 . ?
C10_8 C11_8 1.3900 . ?
C10_8 C15_8 1.3900 . ?
C11_8 C12_8 1.3900 . ?
C11_8 H11_8 0.9500 . ?
C12_8 C13_8 1.3900 . ?
C12_8 H12_8 0.9500 . ?
C13_8 C14_8 1.3900 . ?
C13_8 H13_8 0.9500 . ?
C14_8 C15_8 1.3900 . ?
C14_8 H14_8 0.9500 . ?
C15_8 H15_8 0.9500 . ?
O1A_9 C1A_9 1.269(6) . ?
C1A_9 C2A_9 1.417(7) . ?
C1A_9 C10A_9 1.527(6) . ?
C2A_9 C3A_9 1.407(7) . ?
C2A_9 H2A_9 0.9500 . ?
C3A_9 O3A_9 1.259(6) . ?
C3A_9 C4A_9 1.515(6) . ?
C4A_9 C5A_9 1.3900 . ?
C4A_9 C9A_9 1.3900 . ?
C5A_9 C6A_9 1.3900 . ?
C5A_9 H5A_9 0.9500 . ?
C6A_9 C7A_9 1.3900 . ?
C6A_9 H6A_9 0.9500 . ?
C7A_9 C8A_9 1.3900 . ?
C7A_9 H7A_9 0.9500 . ?
C8A_9 C9A_9 1.3900 . ?
C8A_9 H8A_9 0.9500 . ?
C9A_9 H9A_9 0.9500 . ?
C10A_9 C11A_9 1.3900 . ?
C10A_9 C15A_9 1.3900 . ?
C11A_9 C12A_9 1.3900 . ?
C11A_9 H11A_9 0.9500 . ?
C12A_9 C13A_9 1.3900 . ?
C12A_9 H12A_9 0.9500 . ?
C13A_9 C14A_9 1.3900 . ?
C13A_9 H13A_9 0.9500 . ?
C14A_9 C15A_9 1.3900 . ?
C14A_9 H14A_9 0.9500 . ?
C15A_9 H15A_9 0.9500 . ?
O1B_9 C1B_9 1.267(18) . ?
C1B_9 C2B_9 1.408(18) . ?
C1B_9 C10B_9 1.526(18) . ?
C2B_9 C3B_9 1.408(18) . ?
C2B_9 H2B_9 0.9500 . ?
C3B_9 O3B_9 1.263(18) . ?
C3B_9 C4B_9 1.523(18) . ?
C4B_9 C5B_9 1.3900 . ?
C4B_9 C9B_9 1.3900 . ?
C5B_9 C6B_9 1.3900 . ?
C5B_9 H5B_9 0.9500 . ?
C6B_9 C7B_9 1.3900 . ?
C6B_9 H6B_9 0.9500 . ?
C7B_9 C8B_9 1.3900 . ?
C7B_9 H7B_9 0.9500 . ?
C8B_9 C9B_9 1.3900 . ?
C8B_9 H8B_9 0.9500 . ?
C9B_9 H9B_9 0.9500 . ?
C10B_9 C11B_9 1.3900 . ?
C10B_9 C15B_9 1.3900 . ?
C11B_9 C12B_9 1.3900 . ?
C11B_9 H11B_9 0.9500 . ?
C12B_9 C13B_9 1.3900 . ?
C12B_9 H12B_9 0.9500 . ?
C13B_9 C14B_9 1.3900 . ?
C13B_9 H13B_9 0.9500 . ?
C14B_9 C15B_9 1.3900 . ?
C14B_9 H14B_9 0.9500 . ?
C15B_9 H15B_9 0.9500 . ?
O1A_10 C1A_10 1.258(6) . ?
C1A_10 C2A_10 1.409(7) . ?
C1A_10 C10A_10 1.505(6) . ?
C2A_10 C3A_10 1.409(7) . ?
C2A_10 H2A_10 0.9500 . ?
C3A_10 O3A_10 1.268(6) . ?
C3A_10 C4A_10 1.526(6) . ?
C4A_10 C5A_10 1.3900 . ?
C4A_10 C9A_10 1.3900 . ?
C5A_10 C6A_10 1.3900 . ?
C5A_10 H5A_10 0.9500 . ?
C6A_10 C7A_10 1.3900 . ?
C6A_10 H6A_10 0.9500 . ?
C7A_10 C8A_10 1.3900 . ?
C7A_10 H7A_10 0.9500 . ?
C8A_10 C9A_10 1.3900 . ?
C8A_10 H8A_10 0.9500 . ?
C9A_10 H9A_10 0.9500 . ?
C10A_10 C11A_10 1.3900 . ?
C10A_10 C15A_10 1.3900 . ?
C11A_10 C12A_10 1.3900 . ?
C11A_10 H11A_10 0.9500 . ?
C12A_10 C13A_10 1.3900 . ?
C12A_10 H12A_10 0.9500 . ?
C13A_10 C14A_10 1.3900 . ?
C13A_10 H13A_10 0.9500 . ?
C14A_10 C15A_10 1.3900 . ?
C14A_10 H14A_10 0.9500 . ?
C15A_10 H15A_10 0.9500 . ?
O1B_10 C1B_10 1.258(18) . ?
C1B_10 C2B_10 1.412(18) . ?
C1B_10 C10B_10 1.525(18) . ?
C2B_10 C3B_10 1.416(18) . ?
C2B_10 H2B_10 0.9500 . ?
C3B_10 O3B_10 1.262(18) . ?
C3B_10 C4B_10 1.525(18) . ?
C4B_10 C5B_10 1.3900 . ?
C4B_10 C9B_10 1.3900 . ?
C5B_10 C6B_10 1.3900 . ?
C5B_10 H5B_10 0.9500 . ?
C6B_10 C7B_10 1.3900 . ?
C6B_10 H6B_10 0.9500 . ?
C7B_10 C8B_10 1.3900 . ?
C7B_10 H7B_10 0.9500 . ?
C8B_10 C9B_10 1.3900 . ?
C8B_10 H8B_10 0.9500 . ?
C9B_10 H9B_10 0.9500 . ?
C10B_10 C11B_10 1.3900 . ?
C10B_10 C15B_10 1.3900 . ?
C11B_10 C12B_10 1.3900 . ?
C11B_10 H11B_10 0.9500 . ?
C12B_10 C13B_10 1.3900 . ?
C12B_10 H12B_10 0.9500 . ?
C13B_10 C14B_10 1.3900 . ?
C13B_10 H13B_10 0.9500 . ?
C14B_10 C15B_10 1.3900 . ?
C14B_10 H14B_10 0.9500 . ?
C15B_10 H15B_10 0.9500 . ?
O1A_11 C1A_11 1.274(6) . ?
C1A_11 C2A_11 1.406(7) . ?
C1A_11 C10A_11 1.524(6) . ?
C2A_11 C3A_11 1.408(7) . ?
C2A_11 H2A_11 0.9500 . ?
C3A_11 O3A_11 1.257(6) . ?
C3A_11 C4A_11 1.511(6) . ?
C4A_11 C5A_11 1.3900 . ?
C4A_11 C9A_11 1.3900 . ?
C5A_11 C6A_11 1.3900 . ?
C5A_11 H5A_11 0.9500 . ?
C6A_11 C7A_11 1.3900 . ?
C6A_11 H6A_11 0.9500 . ?
C7A_11 C8A_11 1.3900 . ?
C7A_11 H7A_11 0.9500 . ?
C8A_11 C9A_11 1.3900 . ?
C8A_11 H8A_11 0.9500 . ?
C9A_11 H9A_11 0.9500 . ?
C10A_11 C11A_11 1.3900 . ?
C10A_11 C15A_11 1.3900 . ?
C11A_11 C12A_11 1.3900 . ?
C11A_11 H11A_11 0.9500 . ?
C12A_11 C13A_11 1.3900 . ?
C12A_11 H12A_11 0.9500 . ?
C13A_11 C14A_11 1.3900 . ?
C13A_11 H13A_11 0.9500 . ?
C14A_11 C15A_11 1.3900 . ?
C14A_11 H14A_11 0.9500 . ?
C15A_11 H15A_11 0.9500 . ?
O1B_11 C1B_11 1.262(18) . ?
C1B_11 C2B_11 1.407(17) . ?
C1B_11 C10B_11 1.526(17) . ?
C2B_11 C3B_11 1.412(18) . ?
C2B_11 H2B_11 0.9500 . ?
C3B_11 O3B_11 1.265(18) . ?
C3B_11 C4B_11 1.516(18) . ?
C4B_11 C5B_11 1.3900 . ?
C4B_11 C9B_11 1.3900 . ?
C5B_11 C6B_11 1.3900 . ?
C5B_11 H5B_11 0.9500 . ?
C6B_11 C7B_11 1.3900 . ?
C6B_11 H6B_11 0.9500 . ?
C7B_11 C8B_11 1.3900 . ?
C7B_11 H7B_11 0.9500 . ?
C8B_11 C9B_11 1.3900 . ?
C8B_11 H8B_11 0.9500 . ?
C9B_11 H9B_11 0.9500 . ?
C10B_11 C11B_11 1.3900 . ?
C10B_11 C15B_11 1.3900 . ?
C11B_11 C12B_11 1.3900 . ?
C11B_11 H11B_11 0.9500 . ?
C12B_11 C13B_11 1.3900 . ?
C12B_11 H12B_11 0.9500 . ?
C13B_11 C14B_11 1.3900 . ?
C13B_11 H13B_11 0.9500 . ?
C14B_11 C15B_11 1.3900 . ?
C14B_11 H14B_11 0.9500 . ?
C15B_11 H15B_11 0.9500 . ?
O1A_12 C1A_12 1.268(7) . ?
C1A_12 C2A_12 1.395(7) . ?
C1A_12 C10A_12 1.516(6) . ?
C2A_12 C3A_12 1.415(7) . ?
C2A_12 H2A_12 0.9500 . ?
C3A_12 O3A_12 1.260(7) . ?
C3A_12 C4A_12 1.499(6) . ?
C4A_12 C5A_12 1.3900 . ?
C4A_12 C9A_12 1.3900 . ?
C5A_12 C6A_12 1.3900 . ?
C5A_12 H5A_12 0.9500 . ?
C6A_12 C7A_12 1.3900 . ?
C6A_12 H6A_12 0.9500 . ?
C7A_12 C8A_12 1.3900 . ?
C7A_12 H7A_12 0.9500 . ?
C8A_12 C9A_12 1.3900 . ?
C8A_12 H8A_12 0.9500 . ?
C9A_12 H9A_12 0.9500 . ?
C10A_12 C11A_12 1.3900 . ?
C10A_12 C15A_12 1.3900 . ?
C11A_12 C12A_12 1.3900 . ?
C11A_12 H11A_12 0.9500 . ?
C12A_12 C13A_12 1.3900 . ?
C12A_12 H12A_12 0.9500 . ?
C13A_12 C14A_12 1.3900 . ?
C13A_12 H13A_12 0.9500 . ?
C14A_12 C15A_12 1.3900 . ?
C14A_12 H14A_12 0.9500 . ?
C15A_12 H15A_12 0.9500 . ?
O1B_12 C1B_12 1.262(18) . ?
C1B_12 C2B_12 1.404(17) . ?
C1B_12 C10B_12 1.518(17) . ?
C2B_12 C3B_12 1.408(17) . ?
C2B_12 H2B_12 0.9500 . ?
C3B_12 O3B_12 1.253(18) . ?
C3B_12 C4B_12 1.519(17) . ?
C4B_12 C5B_12 1.3900 . ?
C4B_12 C9B_12 1.3900 . ?
C5B_12 C6B_12 1.3900 . ?
C5B_12 H5B_12 0.9500 . ?
C6B_12 C7B_12 1.3900 . ?
C6B_12 H6B_12 0.9500 . ?
C7B_12 C8B_12 1.3900 . ?
C7B_12 H7B_12 0.9500 . ?
C8B_12 C9B_12 1.3900 . ?
C8B_12 H8B_12 0.9500 . ?
C9B_12 H9B_12 0.9500 . ?
C10B_12 C11B_12 1.3900 . ?
C10B_12 C15B_12 1.3900 . ?
C11B_12 C12B_12 1.3900 . ?
C11B_12 H11B_12 0.9500 . ?
C12B_12 C13B_12 1.3900 . ?
C12B_12 H12B_12 0.9500 . ?
C13B_12 C14B_12 1.3900 . ?
C13B_12 H13B_12 0.9500 . ?
C14B_12 C15B_12 1.3900 . ?
C14B_12 H14B_12 0.9500 . ?
C15B_12 H15B_12 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1_7 EuA_1 O3A_6 137.56(12) . . ?
O1_7 EuA_1 O1_5 82.40(12) . . ?
O3A_6 EuA_1 O1_5 117.54(13) . . ?
O1_7 EuA_1 O3_5 147.03(12) . . ?
O3A_6 EuA_1 O3_5 73.90(11) . . ?
O1_5 EuA_1 O3_5 70.83(11) . . ?
O1_7 EuA_1 O1_8 113.88(12) . . ?
O3A_6 EuA_1 O1_8 82.49(12) . . ?
O1_5 EuA_1 O1_8 130.53(11) . . ?
O3_5 EuA_1 O1_8 73.11(11) . . ?
O1_7 EuA_1 O3_7 70.00(11) . . ?
O3A_6 EuA_1 O3_7 76.68(12) . . ?
O1_5 EuA_1 O3_7 147.96(11) . . ?
O3_5 EuA_1 O3_7 140.41(11) . . ?
O1_8 EuA_1 O3_7 77.33(11) . . ?
O1_7 EuA_1 O1A_6 75.78(12) . . ?
O3A_6 EuA_1 O1A_6 71.44(12) . . ?
O1_5 EuA_1 O1A_6 81.26(11) . . ?
O3_5 EuA_1 O1A_6 117.17(12) . . ?
O1_8 EuA_1 O1A_6 146.54(11) . . ?
O3_7 EuA_1 O1A_6 76.54(11) . . ?
O1_7 EuA_1 O3_8 70.93(12) . . ?
O3A_6 EuA_1 O3_8 147.74(11) . . ?
O1_5 EuA_1 O3_8 73.92(12) . . ?
O3_5 EuA_1 O3_8 83.13(11) . . ?
O1_8 EuA_1 O3_8 69.14(11) . . ?
O3_7 EuA_1 O3_8 110.21(11) . . ?
O1A_6 EuA_1 O3_8 140.49(11) . . ?
O1_8 EuB_1 O3_7 86.34(15) . . ?
O1_8 EuB_1 O1_7 128.36(18) . . ?
O3_7 EuB_1 O1_7 74.57(15) . . ?
O1_8 EuB_1 O3_8 76.71(15) . . ?
O3_7 EuB_1 O3_8 123.77(17) . . ?
O1_7 EuB_1 O3_8 75.49(15) . . ?
O1_8 EuB_1 O3B_6 84.58(16) . . ?
O3_7 EuB_1 O3B_6 77.13(15) . . ?
O1_7 EuB_1 O3B_6 133.90(18) . . ?
O3_8 EuB_1 O3B_6 150.17(18) . . ?
O1_8 EuB_1 O3_5 74.65(14) . . ?
O3_7 EuB_1 O3_5 142.37(18) . . ?
O1_7 EuB_1 O3_5 142.16(18) . . ?
O3_8 EuB_1 O3_5 83.52(15) . . ?
O3B_6 EuB_1 O3_5 69.11(13) . . ?
O1_8 EuB_1 O1_5 130.84(17) . . ?
O3_7 EuB_1 O1_5 142.78(17) . . ?
O1_7 EuB_1 O1_5 78.80(15) . . ?
O3_8 EuB_1 O1_5 72.31(14) . . ?
O3B_6 EuB_1 O1_5 104.65(15) . . ?
O3_5 EuB_1 O1_5 64.83(12) . . ?
O1_8 EuB_1 O1B_6 147.24(18) . . ?
O3_7 EuB_1 O1B_6 74.81(14) . . ?
O1_7 EuB_1 O1B_6 72.43(14) . . ?
O3_8 EuB_1 O1B_6 136.05(16) . . ?
O3B_6 EuB_1 O1B_6 65.43(13) . . ?
O3_5 EuB_1 O1B_6 104.45(14) . . ?
O1_5 EuB_1 O1B_6 72.63(12) . . ?
O1_8 EuB_1 C1_8 16.57(12) . . ?
O3_7 EuB_1 C1_8 100.36(14) . . ?
O1_7 EuB_1 C1_8 124.02(17) . . ?
O3_8 EuB_1 C1_8 61.46(13) . . ?
O3B_6 EuB_1 C1_8 96.26(15) . . ?
O3_5 EuB_1 C1_8 68.27(13) . . ?
O1_5 EuB_1 C1_8 116.10(15) . . ?
O1B_6 EuB_1 C1_8 161.62(16) . . ?
O1_8 EuB_1 C3_8 60.42(14) . . ?
O3_7 EuB_1 C3_8 120.07(15) . . ?
O1_7 EuB_1 C3_8 88.52(15) . . ?
O3_8 EuB_1 C3_8 16.38(12) . . ?
O3B_6 EuB_1 C3_8 137.42(16) . . ?
O3_5 EuB_1 C3_8 78.20(14) . . ?
O1_5 EuB_1 C3_8 84.27(14) . . ?
O1B_6 EuB_1 C3_8 152.30(16) . . ?
C1_8 EuB_1 C3_8 45.08(12) . . ?
O1A_10 EuA_2 O3A_9 138.29(14) . . ?
O1A_10 EuA_2 O1A_12 118.36(16) . . ?
O3A_9 EuA_2 O1A_12 78.38(15) . . ?
O1A_10 EuA_2 O3A_11 144.49(13) . . ?
O3A_9 EuA_2 O3A_11 74.69(14) . . ?
O1A_12 EuA_2 O3A_11 73.75(14) . . ?
O1A_10 EuA_2 O1A_11 79.02(14) . . ?
O3A_9 EuA_2 O1A_11 120.10(16) . . ?
O1A_12 EuA_2 O1A_11 131.49(13) . . ?
O3A_11 EuA_2 O1A_11 70.02(13) . . ?
O1A_10 EuA_2 O3A_12 71.86(14) . . ?
O3A_9 EuA_2 O3A_12 145.48(14) . . ?
O1A_12 EuA_2 O3A_12 70.01(14) . . ?
O3A_11 EuA_2 O3A_12 83.31(14) . . ?
O1A_11 EuA_2 O3A_12 74.68(14) . . ?
O1A_10 EuA_2 O3A_10 70.29(13) . . ?
O3A_9 EuA_2 O3A_10 76.06(15) . . ?
O1A_12 EuA_2 O3A_10 80.61(13) . . ?
O3A_11 EuA_2 O3A_10 144.23(13) . . ?
O1A_11 EuA_2 O3A_10 144.32(13) . . ?
O3A_12 EuA_2 O3A_10 110.99(14) . . ?
O1A_10 EuA_2 O1A_9 77.74(15) . . ?
O3A_9 EuA_2 O1A_9 70.63(14) . . ?
O1A_12 EuA_2 O1A_9 144.65(13) . . ?
O3A_11 EuA_2 O1A_9 112.52(15) . . ?
O1A_11 EuA_2 O1A_9 80.29(12) . . ?
O3A_12 EuA_2 O1A_9 143.55(13) . . ?
O3A_10 EuA_2 O1A_9 75.87(13) . . ?
O1B_10 EuB_2 O3B_9 136.7(10) . . ?
O1B_10 EuB_2 O1B_11 82.6(9) . . ?
O3B_9 EuB_2 O1B_11 122.4(11) . . ?
O1B_10 EuB_2 O3B_11 147.0(9) . . ?
O3B_9 EuB_2 O3B_11 75.0(10) . . ?
O1B_11 EuB_2 O3B_11 68.7(10) . . ?
O1B_10 EuB_2 O3B_10 69.3(9) . . ?
O3B_9 EuB_2 O3B_10 73.8(11) . . ?
O1B_11 EuB_2 O3B_10 147.7(9) . . ?
O3B_11 EuB_2 O3B_10 142.5(9) . . ?
O1B_10 EuB_2 O1B_9 75.2(10) . . ?
O3B_9 EuB_2 O1B_9 73.4(11) . . ?
O1B_11 EuB_2 O1B_9 84.0(9) . . ?
O3B_11 EuB_2 O1B_9 115.9(11) . . ?
O3B_10 EuB_2 O1B_9 73.9(10) . . ?
O1B_10 EuB_2 O1B_12 115.8(10) . . ?
O3B_9 EuB_2 O1B_12 76.8(11) . . ?
O1B_11 EuB_2 O1B_12 130.3(9) . . ?
O3B_11 EuB_2 O1B_12 74.8(10) . . ?
O3B_10 EuB_2 O1B_12 78.2(10) . . ?
O1B_9 EuB_2 O1B_12 143.7(9) . . ?
O1B_10 EuB_2 O3B_12 70.3(9) . . ?
O3B_9 EuB_2 O3B_12 144.5(10) . . ?
O1B_11 EuB_2 O3B_12 76.1(10) . . ?
O3B_11 EuB_2 O3B_12 86.7(9) . . ?
O3B_10 EuB_2 O3B_12 107.5(10) . . ?
O1B_9 EuB_2 O3B_12 141.9(9) . . ?
O1B_12 EuB_2 O3B_12 69.1(10) . . ?
C1B_3 C2BA_3 C3BA_3 108.4(6) . . ?
C1B_3 C2BA_3 H2B1_3 110.0 . . ?
C3BA_3 C2BA_3 H2B1_3 110.0 . . ?
C1B_3 C2BA_3 H2B2_3 110.0 . . ?
C3BA_3 C2BA_3 H2B2_3 110.0 . . ?
H2B1_3 C2BA_3 H2B2_3 108.4 . . ?
C4BA_3 C3BA_3 C2BA_3 112.3(8) . . ?
C4BA_3 C3BA_3 H3B1_3 109.1 . . ?
C2BA_3 C3BA_3 H3B1_3 109.1 . . ?
C4BA_3 C3BA_3 H3B2_3 109.1 . . ?
C2BA_3 C3BA_3 H3B2_3 109.1 . . ?
H3B1_3 C3BA_3 H3B2_3 107.9 . . ?
C3BA_3 C4BA_3 C5BA_3 114.3(10) . . ?
C3BA_3 C4BA_3 H4B1_3 108.7 . . ?
C5BA_3 C4BA_3 H4B1_3 108.7 . . ?
C3BA_3 C4BA_3 H4B2_3 108.7 . . ?
C5BA_3 C4BA_3 H4B2_3 108.7 . . ?
H4B1_3 C4BA_3 H4B2_3 107.6 . . ?
C4BA_3 C5BA_3 C6BA_3 113.8(8) . . ?
C4BA_3 C5BA_3 H5B1_3 108.8 . . ?
C6BA_3 C5BA_3 H5B1_3 108.8 . . ?
C4BA_3 C5BA_3 H5B2_3 108.8 . . ?
C6BA_3 C5BA_3 H5B2_3 108.8 . . ?
H5B1_3 C5BA_3 H5B2_3 107.7 . . ?
C7BA_3 C6BA_3 C5BA_3 112.0(9) . . ?
C7BA_3 C6BA_3 H6B1_3 109.2 . . ?
C5BA_3 C6BA_3 H6B1_3 109.2 . . ?
C7BA_3 C6BA_3 H6B2_3 109.2 . . ?
C5BA_3 C6BA_3 H6B2_3 109.2 . . ?
H6B1_3 C6BA_3 H6B2_3 107.9 . . ?
C8BA_3 C7BA_3 C6BA_3 114.7(10) . . ?
C8BA_3 C7BA_3 H7B1_3 108.6 . . ?
C6BA_3 C7BA_3 H7B1_3 108.6 . . ?
C8BA_3 C7BA_3 H7B2_3 108.6 . . ?
C6BA_3 C7BA_3 H7B2_3 108.6 . . ?
H7B1_3 C7BA_3 H7B2_3 107.6 . . ?
C7BA_3 C8BA_3 H8B1_3 109.5 . . ?
C7BA_3 C8BA_3 H8B2_3 109.5 . . ?
H8B1_3 C8BA_3 H8B2_3 109.5 . . ?
C7BA_3 C8BA_3 H8B3_3 109.5 . . ?
H8B1_3 C8BA_3 H8B3_3 109.5 . . ?
H8B2_3 C8BA_3 H8B3_3 109.5 . . ?
C1B_3 C2BB_3 C3BB_3 114.6(13) . . ?
C1B_3 C2BB_3 H2B3_3 108.6 . . ?
C3BB_3 C2BB_3 H2B3_3 108.6 . . ?
C1B_3 C2BB_3 H2B4_3 108.6 . . ?
C3BB_3 C2BB_3 H2B4_3 108.6 . . ?
H2B3_3 C2BB_3 H2B4_3 107.6 . . ?
C4BB_3 C3BB_3 C2BB_3 108(2) . . ?
C4BB_3 C3BB_3 H3B3_3 110.1 . . ?
C2BB_3 C3BB_3 H3B3_3 110.1 . . ?
C4BB_3 C3BB_3 H3B4_3 110.1 . . ?
C2BB_3 C3BB_3 H3B4_3 110.1 . . ?
H3B3_3 C3BB_3 H3B4_3 108.4 . . ?
C5BB_3 C4BB_3 C3BB_3 112(3) . . ?
C5BB_3 C4BB_3 H4B3_3 109.2 . . ?
C3BB_3 C4BB_3 H4B3_3 109.2 . . ?
C5BB_3 C4BB_3 H4B4_3 109.2 . . ?
C3BB_3 C4BB_3 H4B4_3 109.2 . . ?
H4B3_3 C4BB_3 H4B4_3 107.9 . . ?
C4BB_3 C5BB_3 C6BB_3 119(3) . . ?
C4BB_3 C5BB_3 H5B3_3 107.7 . . ?
C6BB_3 C5BB_3 H5B3_3 107.7 . . ?
C4BB_3 C5BB_3 H5B4_3 107.7 . . ?
C6BB_3 C5BB_3 H5B4_3 107.7 . . ?
H5B3_3 C5BB_3 H5B4_3 107.1 . . ?
C7BB_3 C6BB_3 C5BB_3 111(4) . . ?
C7BB_3 C6BB_3 H6B3_3 109.5 . . ?
C5BB_3 C6BB_3 H6B3_3 109.5 . . ?
C7BB_3 C6BB_3 H6B4_3 109.5 . . ?
C5BB_3 C6BB_3 H6B4_3 109.5 . . ?
H6B3_3 C6BB_3 H6B4_3 108.1 . . ?
C6BB_3 C7BB_3 C8BB_3 109(4) . . ?
C6BB_3 C7BB_3 H7B3_3 110.0 . . ?
C8BB_3 C7BB_3 H7B3_3 110.0 . . ?
C6BB_3 C7BB_3 H7B4_3 110.0 . . ?
C8BB_3 C7BB_3 H7B4_3 110.0 . . ?
H7B3_3 C7BB_3 H7B4_3 108.3 . . ?
C7BB_3 C8BB_3 H8B4_3 109.5 . . ?
C7BB_3 C8BB_3 H8B5_3 109.5 . . ?
H8B4_3 C8BB_3 H8B5_3 109.5 . . ?
C7BB_3 C8BB_3 H8B6_3 109.5 . . ?
H8B4_3 C8BB_3 H8B6_3 109.5 . . ?
H8B5_3 C8BB_3 H8B6_3 109.5 . . ?
C3BC_3 C2BC_3 C1B_3 128(3) . . ?
C3BC_3 C2BC_3 H2B5_3 105.3 . . ?
C1B_3 C2BC_3 H2B5_3 105.3 . . ?
C3BC_3 C2BC_3 H2B6_3 105.3 . . ?
C1B_3 C2BC_3 H2B6_3 105.3 . . ?
H2B5_3 C2BC_3 H2B6_3 106.0 . . ?
C2BC_3 C3BC_3 C4BC_3 99(5) . . ?
C2BC_3 C3BC_3 H3B5_3 112.0 . . ?
C4BC_3 C3BC_3 H3B5_3 112.0 . . ?
C2BC_3 C3BC_3 H3B6_3 112.0 . . ?
C4BC_3 C3BC_3 H3B6_3 112.0 . . ?
H3B5_3 C3BC_3 H3B6_3 109.7 . . ?
C5BC_3 C4BC_3 C3BC_3 113(6) . . ?
C5BC_3 C4BC_3 H4B5_3 109.0 . . ?
C3BC_3 C4BC_3 H4B5_3 109.0 . . ?
C5BC_3 C4BC_3 H4B6_3 109.0 . . ?
C3BC_3 C4BC_3 H4B6_3 109.0 . . ?
H4B5_3 C4BC_3 H4B6_3 107.8 . . ?
C4BC_3 C5BC_3 C6BC_3 112(6) . . ?
C4BC_3 C5BC_3 H5B5_3 109.1 . . ?
C6BC_3 C5BC_3 H5B5_3 109.1 . . ?
C4BC_3 C5BC_3 H5B6_3 109.1 . . ?
C6BC_3 C5BC_3 H5B6_3 109.1 . . ?
H5B5_3 C5BC_3 H5B6_3 107.9 . . ?
C5BC_3 C6BC_3 C7BC_3 116(6) . . ?
C5BC_3 C6BC_3 H6B5_3 108.2 . . ?
C7BC_3 C6BC_3 H6B5_3 108.2 . . ?
C5BC_3 C6BC_3 H6B6_3 108.2 . . ?
C7BC_3 C6BC_3 H6B6_3 108.2 . . ?
H6B5_3 C6BC_3 H6B6_3 107.3 . . ?
C8BC_3 C7BC_3 C6BC_3 120(6) . . ?
C8BC_3 C7BC_3 H7B5_3 107.4 . . ?
C6BC_3 C7BC_3 H7B5_3 107.4 . . ?
C8BC_3 C7BC_3 H7B6_3 107.4 . . ?
C6BC_3 C7BC_3 H7B6_3 107.4 . . ?
H7B5_3 C7BC_3 H7B6_3 106.9 . . ?
C7BC_3 C8BC_3 H8B7_3 109.5 . . ?
C7BC_3 C8BC_3 H8B8_3 109.5 . . ?
H8B7_3 C8BC_3 H8B8_3 109.5 . . ?
C7BC_3 C8BC_3 H8B9_3 109.5 . . ?
H8B7_3 C8BC_3 H8B9_3 109.5 . . ?
H8B8_3 C8BC_3 H8B9_3 109.5 . . ?
CME_3 P_3 C1B_3 110.4(3) . . ?
CME_3 P_3 C1A_3 108.9(2) . . ?
C1B_3 P_3 C1A_3 109.3(2) . . ?
CME_3 P_3 C1C_3 107.9(2) . . ?
C1B_3 P_3 C1C_3 109.0(2) . . ?
C1A_3 P_3 C1C_3 111.4(2) . . ?
P_3 CME_3 HME1_3 109.5 . . ?
P_3 CME_3 HME2_3 109.5 . . ?
HME1_3 CME_3 HME2_3 109.5 . . ?
P_3 CME_3 HME3_3 109.5 . . ?
HME1_3 CME_3 HME3_3 109.5 . . ?
HME2_3 CME_3 HME3_3 109.5 . . ?
C2A_3 C1A_3 P_3 114.4(4) . . ?
C2A_3 C1A_3 H1A1_3 108.7 . . ?
P_3 C1A_3 H1A1_3 108.7 . . ?
C2A_3 C1A_3 H1A2_3 108.7 . . ?
P_3 C1A_3 H1A2_3 108.7 . . ?
H1A1_3 C1A_3 H1A2_3 107.6 . . ?
C1A_3 C2A_3 C3A_3 110.8(4) . . ?
C1A_3 C2A_3 H2A1_3 109.5 . . ?
C3A_3 C2A_3 H2A1_3 109.5 . . ?
C1A_3 C2A_3 H2A2_3 109.5 . . ?
C3A_3 C2A_3 H2A2_3 109.5 . . ?
H2A1_3 C2A_3 H2A2_3 108.1 . . ?
C4A_3 C3A_3 C2A_3 111.0(4) . . ?
C4A_3 C3A_3 H3A1_3 109.4 . . ?
C2A_3 C3A_3 H3A1_3 109.4 . . ?
C4A_3 C3A_3 H3A2_3 109.4 . . ?
C2A_3 C3A_3 H3A2_3 109.4 . . ?
H3A1_3 C3A_3 H3A2_3 108.0 . . ?
C5A_3 C4A_3 C3A_3 113.8(5) . . ?
C5A_3 C4A_3 H4A1_3 108.8 . . ?
C3A_3 C4A_3 H4A1_3 108.8 . . ?
C5A_3 C4A_3 H4A2_3 108.8 . . ?
C3A_3 C4A_3 H4A2_3 108.8 . . ?
H4A1_3 C4A_3 H4A2_3 107.7 . . ?
C6A_3 C5A_3 C4A_3 113.5(5) . . ?
C6A_3 C5A_3 H5A1_3 108.9 . . ?
C4A_3 C5A_3 H5A1_3 108.9 . . ?
C6A_3 C5A_3 H5A2_3 108.9 . . ?
C4A_3 C5A_3 H5A2_3 108.9 . . ?
H5A1_3 C5A_3 H5A2_3 107.7 . . ?
C5A_3 C6A_3 C7A_3 112.3(5) . . ?
C5A_3 C6A_3 H6A1_3 109.1 . . ?
C7A_3 C6A_3 H6A1_3 109.1 . . ?
C5A_3 C6A_3 H6A2_3 109.1 . . ?
C7A_3 C6A_3 H6A2_3 109.1 . . ?
H6A1_3 C6A_3 H6A2_3 107.9 . . ?
C6A_3 C7A_3 C8A_3 111.8(5) . . ?
C6A_3 C7A_3 H7A1_3 109.3 . . ?
C8A_3 C7A_3 H7A1_3 109.3 . . ?
C6A_3 C7A_3 H7A2_3 109.3 . . ?
C8A_3 C7A_3 H7A2_3 109.3 . . ?
H7A1_3 C7A_3 H7A2_3 107.9 . . ?
C7A_3 C8A_3 H8A1_3 109.5 . . ?
C7A_3 C8A_3 H8A2_3 109.5 . . ?
H8A1_3 C8A_3 H8A2_3 109.5 . . ?
C7A_3 C8A_3 H8A3_3 109.5 . . ?
H8A1_3 C8A_3 H8A3_3 109.5 . . ?
H8A2_3 C8A_3 H8A3_3 109.5 . . ?
C2BC_3 C1B_3 P_3 113.9(4) . . ?
C2BA_3 C1B_3 P_3 113.9(4) . . ?
C2BB_3 C1B_3 P_3 113.9(4) . . ?
C2BA_3 C1B_3 H1B1_3 108.8 . . ?
P_3 C1B_3 H1B1_3 108.8 . . ?
C2BA_3 C1B_3 H1B2_3 108.8 . . ?
P_3 C1B_3 H1B2_3 108.8 . . ?
H1B1_3 C1B_3 H1B2_3 107.7 . . ?
C2C_3 C1C_3 P_3 115.0(4) . . ?
C2C_3 C1C_3 H1C1_3 108.5 . . ?
P_3 C1C_3 H1C1_3 108.5 . . ?
C2C_3 C1C_3 H1C2_3 108.5 . . ?
P_3 C1C_3 H1C2_3 108.5 . . ?
H1C1_3 C1C_3 H1C2_3 107.5 . . ?
C1C_3 C2C_3 C3C_3 111.7(4) . . ?
C1C_3 C2C_3 H2C1_3 109.3 . . ?
C3C_3 C2C_3 H2C1_3 109.3 . . ?
C1C_3 C2C_3 H2C2_3 109.3 . . ?
C3C_3 C2C_3 H2C2_3 109.3 . . ?
H2C1_3 C2C_3 H2C2_3 107.9 . . ?
C4C_3 C3C_3 C2C_3 112.2(5) . . ?
C4C_3 C3C_3 H3C1_3 109.2 . . ?
C2C_3 C3C_3 H3C1_3 109.2 . . ?
C4C_3 C3C_3 H3C2_3 109.2 . . ?
C2C_3 C3C_3 H3C2_3 109.2 . . ?
H3C1_3 C3C_3 H3C2_3 107.9 . . ?
C3C_3 C4C_3 C5C_3 112.2(5) . . ?
C3C_3 C4C_3 H4C1_3 109.2 . . ?
C5C_3 C4C_3 H4C1_3 109.2 . . ?
C3C_3 C4C_3 H4C2_3 109.2 . . ?
C5C_3 C4C_3 H4C2_3 109.2 . . ?
H4C1_3 C4C_3 H4C2_3 107.9 . . ?
C6C_3 C5C_3 C4C_3 111.0(6) . . ?
C6C_3 C5C_3 H5C1_3 109.4 . . ?
C4C_3 C5C_3 H5C1_3 109.4 . . ?
C6C_3 C5C_3 H5C2_3 109.4 . . ?
C4C_3 C5C_3 H5C2_3 109.4 . . ?
H5C1_3 C5C_3 H5C2_3 108.0 . . ?
C5C_3 C6C_3 C7C_3 113.8(7) . . ?
C5C_3 C6C_3 H6C1_3 108.8 . . ?
C7C_3 C6C_3 H6C1_3 108.8 . . ?
C5C_3 C6C_3 H6C2_3 108.8 . . ?
C7C_3 C6C_3 H6C2_3 108.8 . . ?
H6C1_3 C6C_3 H6C2_3 107.7 . . ?
C8C_3 C7C_3 C6C_3 114.1(7) . . ?
C8C_3 C7C_3 H7C1_3 108.7 . . ?
C6C_3 C7C_3 H7C1_3 108.7 . . ?
C8C_3 C7C_3 H7C2_3 108.7 . . ?
C6C_3 C7C_3 H7C2_3 108.7 . . ?
H7C1_3 C7C_3 H7C2_3 107.6 . . ?
C7C_3 C8C_3 H8C1_3 109.5 . . ?
C7C_3 C8C_3 H8C2_3 109.5 . . ?
H8C1_3 C8C_3 H8C2_3 109.5 . . ?
C7C_3 C8C_3 H8C3_3 109.5 . . ?
H8C1_3 C8C_3 H8C3_3 109.5 . . ?
H8C2_3 C8C_3 H8C3_3 109.5 . . ?
CMEA_4 PA_4 C1CA_4 108.8(3) . . ?
CMEA_4 PA_4 C1AA_4 108.6(3) . . ?
C1CA_4 PA_4 C1AA_4 110.9(3) . . ?
CMEA_4 PA_4 C1BA_4 110.5(3) . . ?
C1CA_4 PA_4 C1BA_4 110.1(3) . . ?
C1AA_4 PA_4 C1BA_4 107.9(3) . . ?
PA_4 CMEA_4 HME1_4 109.5 . . ?
PA_4 CMEA_4 HME2_4 109.5 . . ?
HME1_4 CMEA_4 HME2_4 109.5 . . ?
PA_4 CMEA_4 HME3_4 109.5 . . ?
HME1_4 CMEA_4 HME3_4 109.5 . . ?
HME2_4 CMEA_4 HME3_4 109.5 . . ?
C2AA_4 C1AA_4 PA_4 115.2(4) . . ?
C2AA_4 C1AA_4 H1A1_4 108.5 . . ?
PA_4 C1AA_4 H1A1_4 108.5 . . ?
C2AA_4 C1AA_4 H1A2_4 108.5 . . ?
PA_4 C1AA_4 H1A2_4 108.5 . . ?
H1A1_4 C1AA_4 H1A2_4 107.5 . . ?
C1AA_4 C2AA_4 C3AA_4 111.6(5) . . ?
C1AA_4 C2AA_4 H2A1_4 109.3 . . ?
C3AA_4 C2AA_4 H2A1_4 109.3 . . ?
C1AA_4 C2AA_4 H2A2_4 109.3 . . ?
C3AA_4 C2AA_4 H2A2_4 109.3 . . ?
H2A1_4 C2AA_4 H2A2_4 108.0 . . ?
C4AA_4 C3AA_4 C2AA_4 114.6(6) . . ?
C4AA_4 C3AA_4 H3A1_4 108.6 . . ?
C2AA_4 C3AA_4 H3A1_4 108.6 . . ?
C4AA_4 C3AA_4 H3A2_4 108.6 . . ?
C2AA_4 C3AA_4 H3A2_4 108.6 . . ?
H3A1_4 C3AA_4 H3A2_4 107.6 . . ?
C3AA_4 C4AA_4 C5AA_4 112.5(6) . . ?
C3AA_4 C4AA_4 H4A1_4 109.1 . . ?
C5AA_4 C4AA_4 H4A1_4 109.1 . . ?
C3AA_4 C4AA_4 H4A2_4 109.1 . . ?
C5AA_4 C4AA_4 H4A2_4 109.1 . . ?
H4A1_4 C4AA_4 H4A2_4 107.8 . . ?
C6AA_4 C5AA_4 C4AA_4 114.2(6) . . ?
C6AA_4 C5AA_4 H5A1_4 108.7 . . ?
C4AA_4 C5AA_4 H5A1_4 108.7 . . ?
C6AA_4 C5AA_4 H5A2_4 108.7 . . ?
C4AA_4 C5AA_4 H5A2_4 108.7 . . ?
H5A1_4 C5AA_4 H5A2_4 107.6 . . ?
C5AA_4 C6AA_4 C7AA_4 112.9(6) . . ?
C5AA_4 C6AA_4 H6A1_4 109.0 . . ?
C7AA_4 C6AA_4 H6A1_4 109.0 . . ?
C5AA_4 C6AA_4 H6A2_4 109.0 . . ?
C7AA_4 C6AA_4 H6A2_4 109.0 . . ?
H6A1_4 C6AA_4 H6A2_4 107.8 . . ?
C8AA_4 C7AA_4 C6AA_4 113.4(7) . . ?
C8AA_4 C7AA_4 H7A1_4 108.9 . . ?
C6AA_4 C7AA_4 H7A1_4 108.9 . . ?
C8AA_4 C7AA_4 H7A2_4 108.9 . . ?
C6AA_4 C7AA_4 H7A2_4 108.9 . . ?
H7A1_4 C7AA_4 H7A2_4 107.7 . . ?
C7AA_4 C8AA_4 H8A1_4 109.5 . . ?
C7AA_4 C8AA_4 H8A2_4 109.5 . . ?
H8A1_4 C8AA_4 H8A2_4 109.5 . . ?
C7AA_4 C8AA_4 H8A3_4 109.5 . . ?
H8A1_4 C8AA_4 H8A3_4 109.5 . . ?
H8A2_4 C8AA_4 H8A3_4 109.5 . . ?
C2BA_4 C1BA_4 PA_4 113.3(5) . . ?
C2BA_4 C1BA_4 H1B1_4 108.9 . . ?
PA_4 C1BA_4 H1B1_4 108.9 . . ?
C2BA_4 C1BA_4 H1B2_4 108.9 . . ?
PA_4 C1BA_4 H1B2_4 108.9 . . ?
H1B1_4 C1BA_4 H1B2_4 107.7 . . ?
C1BA_4 C2BA_4 C3BA_4 111.7(6) . . ?
C1BA_4 C2BA_4 H2B1_4 109.3 . . ?
C3BA_4 C2BA_4 H2B1_4 109.3 . . ?
C1BA_4 C2BA_4 H2B2_4 109.3 . . ?
C3BA_4 C2BA_4 H2B2_4 109.3 . . ?
H2B1_4 C2BA_4 H2B2_4 107.9 . . ?
C6BA_4 C5BA_4 C4BA_4 122.8(13) . . ?
C6BA_4 C5BA_4 H5B1_4 106.6 . . ?
C4BA_4 C5BA_4 H5B1_4 106.6 . . ?
C6BA_4 C5BA_4 H5B2_4 106.6 . . ?
C4BA_4 C5BA_4 H5B2_4 106.6 . . ?
H5B1_4 C5BA_4 H5B2_4 106.6 . . ?
C7BA_4 C6BA_4 C5BA_4 114.6(15) . . ?
C7BA_4 C6BA_4 H6B1_4 108.6 . . ?
C5BA_4 C6BA_4 H6B1_4 108.6 . . ?
C7BA_4 C6BA_4 H6B2_4 108.6 . . ?
C5BA_4 C6BA_4 H6B2_4 108.6 . . ?
H6B1_4 C6BA_4 H6B2_4 107.6 . . ?
C6BA_4 C7BA_4 C8BA_4 107.9(16) . . ?
C6BA_4 C7BA_4 H7B1_4 110.1 . . ?
C8BA_4 C7BA_4 H7B1_4 110.1 . . ?
C6BA_4 C7BA_4 H7B2_4 110.1 . . ?
C8BA_4 C7BA_4 H7B2_4 110.1 . . ?
H7B1_4 C7BA_4 H7B2_4 108.4 . . ?
C2CA_4 C1CA_4 PA_4 113.7(4) . . ?
C2CA_4 C1CA_4 H1C1_4 108.8 . . ?
PA_4 C1CA_4 H1C1_4 108.8 . . ?
C2CA_4 C1CA_4 H1C2_4 108.8 . . ?
PA_4 C1CA_4 H1C2_4 108.8 . . ?
H1C1_4 C1CA_4 H1C2_4 107.7 . . ?
C3CA_4 C2CA_4 C1CA_4 112.2(5) . . ?
C3CA_4 C2CA_4 H2C1_4 109.2 . . ?
C1CA_4 C2CA_4 H2C1_4 109.2 . . ?
C3CA_4 C2CA_4 H2C2_4 109.2 . . ?
C1CA_4 C2CA_4 H2C2_4 109.2 . . ?
H2C1_4 C2CA_4 H2C2_4 107.9 . . ?
C4CA_4 C3CA_4 C2CA_4 110.1(5) . . ?
C4CA_4 C3CA_4 H3C1_4 109.6 . . ?
C2CA_4 C3CA_4 H3C1_4 109.6 . . ?
C4CA_4 C3CA_4 H3C2_4 109.6 . . ?
C2CA_4 C3CA_4 H3C2_4 109.6 . . ?
H3C1_4 C3CA_4 H3C2_4 108.1 . . ?
C5CA_4 C4CA_4 C3CA_4 114.5(6) . . ?
C5CA_4 C4CA_4 H4C1_4 108.6 . . ?
C3CA_4 C4CA_4 H4C1_4 108.6 . . ?
C5CA_4 C4CA_4 H4C2_4 108.6 . . ?
C3CA_4 C4CA_4 H4C2_4 108.6 . . ?
H4C1_4 C4CA_4 H4C2_4 107.6 . . ?
C6CA_4 C5CA_4 C4CA_4 112.9(6) . . ?
C6CA_4 C5CA_4 H5C1_4 109.0 . . ?
C4CA_4 C5CA_4 H5C1_4 109.0 . . ?
C6CA_4 C5CA_4 H5C2_4 109.0 . . ?
C4CA_4 C5CA_4 H5C2_4 109.0 . . ?
H5C1_4 C5CA_4 H5C2_4 107.8 . . ?
C5CA_4 C6CA_4 C7CA_4 111.6(6) . . ?
C5CA_4 C6CA_4 H6C1_4 109.3 . . ?
C7CA_4 C6CA_4 H6C1_4 109.3 . . ?
C5CA_4 C6CA_4 H6C2_4 109.3 . . ?
C7CA_4 C6CA_4 H6C2_4 109.3 . . ?
H6C1_4 C6CA_4 H6C2_4 108.0 . . ?
C8CA_4 C7CA_4 C6CA_4 113.1(7) . . ?
C8CA_4 C7CA_4 H7C1_4 109.0 . . ?
C6CA_4 C7CA_4 H7C1_4 109.0 . . ?
C8CA_4 C7CA_4 H7C2_4 109.0 . . ?
C6CA_4 C7CA_4 H7C2_4 109.0 . . ?
H7C1_4 C7CA_4 H7C2_4 107.8 . . ?
C7CA_4 C8CA_4 H8C1_4 109.5 . . ?
C7CA_4 C8CA_4 H8C2_4 109.5 . . ?
H8C1_4 C8CA_4 H8C2_4 109.5 . . ?
C7CA_4 C8CA_4 H8C3_4 109.5 . . ?
H8C1_4 C8CA_4 H8C3_4 109.5 . . ?
H8C2_4 C8CA_4 H8C3_4 109.5 . . ?
C7BA_4 C8BA_4 H8B1_4 109.5 . . ?
C7BA_4 C8BA_4 H8B2_4 109.5 . . ?
H8B1_4 C8BA_4 H8B2_4 109.5 . . ?
C7BA_4 C8BA_4 H8B3_4 109.5 . . ?
H8B1_4 C8BA_4 H8B3_4 109.5 . . ?
H8B2_4 C8BA_4 H8B3_4 109.5 . . ?
C4BA_4 C3BA_4 C2BA_4 114.4(6) . . ?
C4BA_4 C3BA_4 H3B1_4 108.6 . . ?
C2BA_4 C3BA_4 H3B1_4 108.6 . . ?
C4BA_4 C3BA_4 H3B2_4 108.6 . . ?
C2BA_4 C3BA_4 H3B2_4 108.6 . . ?
H3B1_4 C3BA_4 H3B2_4 107.6 . . ?
C3BA_4 C4BA_4 C5BA_4 111.4(8) . . ?
C3BA_4 C4BA_4 H4B1_4 109.3 . . ?
C5BA_4 C4BA_4 H4B1_4 109.3 . . ?
C3BA_4 C4BA_4 H4B2_4 109.3 . . ?
C5BA_4 C4BA_4 H4B2_4 109.3 . . ?
H4B1_4 C4BA_4 H4B2_4 108.0 . . ?
C1BB_4 PB_4 C1AB_4 105(2) . . ?
C1BB_4 PB_4 C1CB_4 114(2) . . ?
C1AB_4 PB_4 C1CB_4 114(2) . . ?
C1BB_4 PB_4 CMEB_4 107(3) . . ?
C1AB_4 PB_4 CMEB_4 103(2) . . ?
C1CB_4 PB_4 CMEB_4 114(2) . . ?
PB_4 CMEB_4 HME4_4 109.5 . . ?
PB_4 CMEB_4 HME5_4 109.5 . . ?
HME4_4 CMEB_4 HME5_4 109.5 . . ?
PB_4 CMEB_4 HME6_4 109.5 . . ?
HME4_4 CMEB_4 HME6_4 109.5 . . ?
HME5_4 CMEB_4 HME6_4 109.5 . . ?
C2AB_4 C1AB_4 PB_4 122(3) . . ?
C2AB_4 C1AB_4 H1A3_4 106.8 . . ?
PB_4 C1AB_4 H1A3_4 106.8 . . ?
C2AB_4 C1AB_4 H1A4_4 106.8 . . ?
PB_4 C1AB_4 H1A4_4 106.8 . . ?
H1A3_4 C1AB_4 H1A4_4 106.6 . . ?
C1AB_4 C2AB_4 C3AB_4 119(4) . . ?
C1AB_4 C2AB_4 H2A3_4 107.7 . . ?
C3AB_4 C2AB_4 H2A3_4 107.7 . . ?
C1AB_4 C2AB_4 H2A4_4 107.7 . . ?
C3AB_4 C2AB_4 H2A4_4 107.7 . . ?
H2A3_4 C2AB_4 H2A4_4 107.1 . . ?
C4AB_4 C3AB_4 C2AB_4 114(4) . . ?
C4AB_4 C3AB_4 H3A3_4 108.7 . . ?
C2AB_4 C3AB_4 H3A3_4 108.7 . . ?
C4AB_4 C3AB_4 H3A4_4 108.7 . . ?
C2AB_4 C3AB_4 H3A4_4 108.7 . . ?
H3A3_4 C3AB_4 H3A4_4 107.6 . . ?
C3AB_4 C4AB_4 C5AB_4 116(4) . . ?
C3AB_4 C4AB_4 H4A3_4 108.2 . . ?
C5AB_4 C4AB_4 H4A3_4 108.2 . . ?
C3AB_4 C4AB_4 H4A4_4 108.2 . . ?
C5AB_4 C4AB_4 H4A4_4 108.1 . . ?
H4A3_4 C4AB_4 H4A4_4 107.3 . . ?
C6AB_4 C5AB_4 C4AB_4 115(5) . . ?
C6AB_4 C5AB_4 H5A3_4 108.5 . . ?
C4AB_4 C5AB_4 H5A3_4 108.5 . . ?
C6AB_4 C5AB_4 H5A4_4 108.5 . . ?
C4AB_4 C5AB_4 H5A4_4 108.5 . . ?
H5A3_4 C5AB_4 H5A4_4 107.5 . . ?
C5AB_4 C6AB_4 C7AB_4 109(4) . . ?
C5AB_4 C6AB_4 H6A3_4 110.0 . . ?
C7AB_4 C6AB_4 H6A3_4 110.0 . . ?
C5AB_4 C6AB_4 H6A4_4 109.9 . . ?
C7AB_4 C6AB_4 H6A4_4 110.0 . . ?
H6A3_4 C6AB_4 H6A4_4 108.4 . . ?
C8AB_4 C7AB_4 C6AB_4 116(4) . . ?
C8AB_4 C7AB_4 H7A3_4 108.4 . . ?
C6AB_4 C7AB_4 H7A3_4 108.4 . . ?
C8AB_4 C7AB_4 H7A4_4 108.4 . . ?
C6AB_4 C7AB_4 H7A4_4 108.4 . . ?
H7A3_4 C7AB_4 H7A4_4 107.4 . . ?
C7AB_4 C8AB_4 H8A4_4 109.5 . . ?
C7AB_4 C8AB_4 H8A5_4 109.5 . . ?
H8A4_4 C8AB_4 H8A5_4 109.5 . . ?
C7AB_4 C8AB_4 H8A6_4 109.5 . . ?
H8A4_4 C8AB_4 H8A6_4 109.5 . . ?
H8A5_4 C8AB_4 H8A6_4 109.5 . . ?
C2BB_4 C1BB_4 PB_4 120(3) . . ?
C2BB_4 C1BB_4 H1B3_4 107.2 . . ?
PB_4 C1BB_4 H1B3_4 107.2 . . ?
C2BB_4 C1BB_4 H1B4_4 107.2 . . ?
PB_4 C1BB_4 H1B4_4 107.2 . . ?
H1B3_4 C1BB_4 H1B4_4 106.9 . . ?
C3BB_4 C2BB_4 C1BB_4 137(4) . . ?
C3BB_4 C2BB_4 H2B3_4 103.0 . . ?
C1BB_4 C2BB_4 H2B3_4 103.0 . . ?
C3BB_4 C2BB_4 H2B4_4 103.0 . . ?
C1BB_4 C2BB_4 H2B4_4 103.0 . . ?
H2B3_4 C2BB_4 H2B4_4 105.1 . . ?
C2BB_4 C3BB_4 C4BB_4 106(2) . . ?
C2BB_4 C3BB_4 H3B3_4 110.5 . . ?
C4BB_4 C3BB_4 H3B3_4 110.5 . . ?
C2BB_4 C3BB_4 H3B4_4 110.5 . . ?
C4BB_4 C3BB_4 H3B4_4 110.5 . . ?
H3B3_4 C3BB_4 H3B4_4 108.7 . . ?
C5BB_4 C4BB_4 C3BB_4 121.7(13) . . ?
C5BB_4 C4BB_4 H4B3_4 106.9 . . ?
C3BB_4 C4BB_4 H4B3_4 106.9 . . ?
C5BB_4 C4BB_4 H4B4_4 106.9 . . ?
C3BB_4 C4BB_4 H4B4_4 106.9 . . ?
H4B3_4 C4BB_4 H4B4_4 106.7 . . ?
C4BB_4 C5BB_4 C6BB_4 115.1(18) . . ?
C4BB_4 C5BB_4 H5B3_4 108.5 . . ?
C6BB_4 C5BB_4 H5B3_4 108.5 . . ?
C4BB_4 C5BB_4 H5B4_4 108.5 . . ?
C6BB_4 C5BB_4 H5B4_4 108.5 . . ?
H5B3_4 C5BB_4 H5B4_4 107.5 . . ?
C5BB_4 C6BB_4 C7BB_4 112.2(14) . . ?
C5BB_4 C6BB_4 H6B3_4 109.2 . . ?
C7BB_4 C6BB_4 H6B3_4 109.2 . . ?
C5BB_4 C6BB_4 H6B4_4 109.2 . . ?
C7BB_4 C6BB_4 H6B4_4 109.2 . . ?
H6B3_4 C6BB_4 H6B4_4 107.9 . . ?
C8BB_4 C7BB_4 C6BB_4 107.7(9) . . ?
C8BB_4 C7BB_4 H7B3_4 110.2 . . ?
C6BB_4 C7BB_4 H7B3_4 110.2 . . ?
C8BB_4 C7BB_4 H7B4_4 110.2 . . ?
C6BB_4 C7BB_4 H7B4_4 110.2 . . ?
H7B3_4 C7BB_4 H7B4_4 108.5 . . ?
C7BB_4 C8BB_4 H8BA_4 109.5 . . ?
C7BB_4 C8BB_4 H8BB_4 109.5 . . ?
H8BA_4 C8BB_4 H8BB_4 109.5 . . ?
C7BB_4 C8BB_4 H8BC_4 109.5 . . ?
H8BA_4 C8BB_4 H8BC_4 109.5 . . ?
H8BB_4 C8BB_4 H8BC_4 109.5 . . ?
C2CB_4 C1CB_4 PB_4 116(3) . . ?
C2CB_4 C1CB_4 H1C3_4 108.3 . . ?
PB_4 C1CB_4 H1C3_4 108.3 . . ?
C2CB_4 C1CB_4 H1C4_4 108.3 . . ?
PB_4 C1CB_4 H1C4_4 108.3 . . ?
H1C3_4 C1CB_4 H1C4_4 107.4 . . ?
C1CB_4 C2CB_4 C3CB_4 109(4) . . ?
C1CB_4 C2CB_4 H2C3_4 109.9 . . ?
C3CB_4 C2CB_4 H2C3_4 109.9 . . ?
C1CB_4 C2CB_4 H2C4_4 109.9 . . ?
C3CB_4 C2CB_4 H2C4_4 109.9 . . ?
H2C3_4 C2CB_4 H2C4_4 108.3 . . ?
C4CB_4 C3CB_4 C2CB_4 108(3) . . ?
C4CB_4 C3CB_4 H3C3_4 110.1 . . ?
C2CB_4 C3CB_4 H3C3_4 110.1 . . ?
C4CB_4 C3CB_4 H3C4_4 110.1 . . ?
C2CB_4 C3CB_4 H3C4_4 110.1 . . ?
H3C3_4 C3CB_4 H3C4_4 108.4 . . ?
C5CB_4 C4CB_4 C3CB_4 112(4) . . ?
C5CB_4 C4CB_4 H4C3_4 109.2 . . ?
C3CB_4 C4CB_4 H4C3_4 109.2 . . ?
C5CB_4 C4CB_4 H4C4_4 109.2 . . ?
C3CB_4 C4CB_4 H4C4_4 109.2 . . ?
H4C3_4 C4CB_4 H4C4_4 107.9 . . ?
C6CB_4 C5CB_4 C4CB_4 114(4) . . ?
C6CB_4 C5CB_4 H5C3_4 108.7 . . ?
C4CB_4 C5CB_4 H5C3_4 108.7 . . ?
C6CB_4 C5CB_4 H5C4_4 108.7 . . ?
C4CB_4 C5CB_4 H5C4_4 108.7 . . ?
H5C3_4 C5CB_4 H5C4_4 107.6 . . ?
C5CB_4 C6CB_4 C7CB_4 118(4) . . ?
C5CB_4 C6CB_4 H6C3_4 107.7 . . ?
C7CB_4 C6CB_4 H6C3_4 107.7 . . ?
C5CB_4 C6CB_4 H6C4_4 107.7 . . ?
C7CB_4 C6CB_4 H6C4_4 107.7 . . ?
H6C3_4 C6CB_4 H6C4_4 107.1 . . ?
C8CB_4 C7CB_4 C6CB_4 120(5) . . ?
C8CB_4 C7CB_4 H7C3_4 107.3 . . ?
C6CB_4 C7CB_4 H7C3_4 107.3 . . ?
C8CB_4 C7CB_4 H7C4_4 107.3 . . ?
C6CB_4 C7CB_4 H7C4_4 107.3 . . ?
H7C3_4 C7CB_4 H7C4_4 106.9 . . ?
C7CB_4 C8CB_4 H8C4_4 109.5 . . ?
C7CB_4 C8CB_4 H8C5_4 109.5 . . ?
H8C4_4 C8CB_4 H8C5_4 109.5 . . ?
C7CB_4 C8CB_4 H8C6_4 109.5 . . ?
H8C4_4 C8CB_4 H8C6_4 109.5 . . ?
H8C5_4 C8CB_4 H8C6_4 109.5 . . ?
C1_5 O1_5 EuA_1 129.2(3) . . ?
C1_5 O1_5 EuB_1 126.2(3) . . ?
O1_5 C1_5 C2_5 124.5(4) . . ?
O1_5 C1_5 C10_5 115.5(4) . . ?
C2_5 C1_5 C10_5 120.0(4) . . ?
C1_5 C2_5 C3_5 123.9(4) . . ?
C1_5 C2_5 H2_5 118.0 . . ?
C3_5 C2_5 H2_5 118.0 . . ?
O3_5 C3_5 C2_5 123.6(4) . . ?
O3_5 C3_5 C4_5 115.8(4) . . ?
C2_5 C3_5 C4_5 120.6(4) . . ?
C3_5 O3_5 EuA_1 133.5(3) . . ?
C3_5 O3_5 EuB_1 133.6(3) . . ?
C5_5 C4_5 C9_5 120.0 . . ?
C5_5 C4_5 C3_5 123.3(2) . . ?
C9_5 C4_5 C3_5 116.6(2) . . ?
C4_5 C5_5 C6_5 120.0 . . ?
C4_5 C5_5 H5_5 120.0 . . ?
C6_5 C5_5 H5_5 120.0 . . ?
C5_5 C6_5 C7_5 120.0 . . ?
C5_5 C6_5 H6_5 120.0 . . ?
C7_5 C6_5 H6_5 120.0 . . ?
C6_5 C7_5 C8_5 120.0 . . ?
C6_5 C7_5 H7_5 120.0 . . ?
C8_5 C7_5 H7_5 120.0 . . ?
C9_5 C8_5 C7_5 120.0 . . ?
C9_5 C8_5 H8_5 120.0 . . ?
C7_5 C8_5 H8_5 120.0 . . ?
C8_5 C9_5 C4_5 120.0 . . ?
C8_5 C9_5 H9_5 120.0 . . ?
C4_5 C9_5 H9_5 120.0 . . ?
C11_5 C10_5 C15_5 120.0 . . ?
C11_5 C10_5 C1_5 117.9(3) . . ?
C15_5 C10_5 C1_5 122.1(3) . . ?
C12_5 C11_5 C10_5 120.0 . . ?
C12_5 C11_5 H11_5 120.0 . . ?
C10_5 C11_5 H11_5 120.0 . . ?
C11_5 C12_5 C13_5 120.0 . . ?
C11_5 C12_5 H12_5 120.0 . . ?
C13_5 C12_5 H12_5 120.0 . . ?
C14_5 C13_5 C12_5 120.0 . . ?
C14_5 C13_5 H13_5 120.0 . . ?
C12_5 C13_5 H13_5 120.0 . . ?
C13_5 C14_5 C15_5 120.0 . . ?
C13_5 C14_5 H14_5 120.0 . . ?
C15_5 C14_5 H14_5 120.0 . . ?
C14_5 C15_5 C10_5 120.0 . . ?
C14_5 C15_5 H15_5 120.0 . . ?
C10_5 C15_5 H15_5 120.0 . . ?
C1A_6 O1A_6 EuA_1 128.5(4) . . ?
O1A_6 C1A_6 C2A_6 124.2(6) . . ?
O1A_6 C1A_6 C10A_6 117.8(5) . . ?
C2A_6 C1A_6 C10A_6 117.9(5) . . ?
C3A_6 C2A_6 C1A_6 123.9(5) . . ?
C3A_6 C2A_6 H2A_6 118.1 . . ?
C1A_6 C2A_6 H2A_6 118.1 . . ?
O3A_6 C3A_6 C2A_6 125.1(5) . . ?
O3A_6 C3A_6 C4A_6 114.9(4) . . ?
C2A_6 C3A_6 C4A_6 119.9(5) . . ?
C5A_6 C4A_6 C9A_6 120.0 . . ?
C5A_6 C4A_6 C3A_6 122.5(3) . . ?
C9A_6 C4A_6 C3A_6 117.5(3) . . ?
C6A_6 C5A_6 C4A_6 120.0 . . ?
C6A_6 C5A_6 H5A_6 120.0 . . ?
C4A_6 C5A_6 H5A_6 120.0 . . ?
C5A_6 C6A_6 C7A_6 120.0 . . ?
C5A_6 C6A_6 H6A_6 120.0 . . ?
C7A_6 C6A_6 H6A_6 120.0 . . ?
C6A_6 C7A_6 C8A_6 120.0 . . ?
C6A_6 C7A_6 H7A_6 120.0 . . ?
C8A_6 C7A_6 H7A_6 120.0 . . ?
C9A_6 C8A_6 C7A_6 120.0 . . ?
C9A_6 C8A_6 H8A_6 120.0 . . ?
C7A_6 C8A_6 H8A_6 120.0 . . ?
C8A_6 C9A_6 C4A_6 120.0 . . ?
C8A_6 C9A_6 H9A_6 120.0 . . ?
C4A_6 C9A_6 H9A_6 120.0 . . ?
C11A_6 C10A_6 C15A_6 120.0 . . ?
C11A_6 C10A_6 C1A_6 121.1(3) . . ?
C15A_6 C10A_6 C1A_6 118.9(3) . . ?
C10A_6 C11A_6 C12A_6 120.0 . . ?
C10A_6 C11A_6 H11A_6 120.0 . . ?
C12A_6 C11A_6 H11A_6 120.0 . . ?
C13A_6 C12A_6 C11A_6 120.0 . . ?
C13A_6 C12A_6 H12A_6 120.0 . . ?
C11A_6 C12A_6 H12A_6 120.0 . . ?
C12A_6 C13A_6 C14A_6 120.0 . . ?
C12A_6 C13A_6 H13A_6 120.0 . . ?
C14A_6 C13A_6 H13A_6 120.0 . . ?
C15A_6 C14A_6 C13A_6 120.0 . . ?
C15A_6 C14A_6 H14A_6 120.0 . . ?
C13A_6 C14A_6 H14A_6 120.0 . . ?
C14A_6 C15A_6 C10A_6 120.0 . . ?
C14A_6 C15A_6 H15A_6 120.0 . . ?
C10A_6 C15A_6 H15A_6 120.0 . . ?
C3A_6 O3A_6 EuA_1 134.0(3) . . ?
C1B_6 O1B_6 EuB_1 116.3(11) . . ?
O1B_6 C1B_6 C2B_6 129(2) . . ?
O1B_6 C1B_6 C10B_6 111.6(17) . . ?
C2B_6 C1B_6 C10B_6 118.9(18) . . ?
C1B_6 C2B_6 C3B_6 125(2) . . ?
C1B_6 C2B_6 H2B_6 117.3 . . ?
C3B_6 C2B_6 H2B_6 117.3 . . ?
O3B_6 C3B_6 C2B_6 118.2(18) . . ?
O3B_6 C3B_6 C4B_6 119.0(18) . . ?
C2B_6 C3B_6 C4B_6 122.6(18) . . ?
C3B_6 O3B_6 EuB_1 123.1(15) . . ?
C5B_6 C4B_6 C9B_6 120.0 . . ?
C5B_6 C4B_6 C3B_6 121.4(18) . . ?
C9B_6 C4B_6 C3B_6 118.6(18) . . ?
C6B_6 C5B_6 C4B_6 120.0 . . ?
C6B_6 C5B_6 H5B_6 120.0 . . ?
C4B_6 C5B_6 H5B_6 120.0 . . ?
C7B_6 C6B_6 C5B_6 120.0 . . ?
C7B_6 C6B_6 H6B_6 120.0 . . ?
C5B_6 C6B_6 H6B_6 120.0 . . ?
C6B_6 C7B_6 C8B_6 120.0 . . ?
C6B_6 C7B_6 H7B_6 120.0 . . ?
C8B_6 C7B_6 H7B_6 120.0 . . ?
C9B_6 C8B_6 C7B_6 120.0 . . ?
C9B_6 C8B_6 H8B_6 120.0 . . ?
C7B_6 C8B_6 H8B_6 120.0 . . ?
C8B_6 C9B_6 C4B_6 120.0 . . ?
C8B_6 C9B_6 H9B_6 120.0 . . ?
C4B_6 C9B_6 H9B_6 120.0 . . ?
C11B_6 C10B_6 C15B_6 120.0 . . ?
C11B_6 C10B_6 C1B_6 120(2) . . ?
C15B_6 C10B_6 C1B_6 120(2) . . ?
C12B_6 C11B_6 C10B_6 120.0 . . ?
C12B_6 C11B_6 H11B_6 120.0 . . ?
C10B_6 C11B_6 H11B_6 120.0 . . ?
C13B_6 C12B_6 C11B_6 120.0 . . ?
C13B_6 C12B_6 H12B_6 120.0 . . ?
C11B_6 C12B_6 H12B_6 120.0 . . ?
C12B_6 C13B_6 C14B_6 120.0 . . ?
C12B_6 C13B_6 H13B_6 120.0 . . ?
C14B_6 C13B_6 H13B_6 120.0 . . ?
C15B_6 C14B_6 C13B_6 120.0 . . ?
C15B_6 C14B_6 H14B_6 120.0 . . ?
C13B_6 C14B_6 H14B_6 120.0 . . ?
C14B_6 C15B_6 C10B_6 120.0 . . ?
C14B_6 C15B_6 H15B_6 120.0 . . ?
C10B_6 C15B_6 H15B_6 120.0 . . ?
C1_7 O1_7 EuB_1 136.1(3) . . ?
C1_7 O1_7 EuA_1 137.0(3) . . ?
O1_7 C1_7 C2_7 124.0(5) . . ?
O1_7 C1_7 C10_7 114.8(4) . . ?
C2_7 C1_7 C10_7 121.2(4) . . ?
C1_7 C2_7 C3_7 123.0(5) . . ?
C1_7 C2_7 H2_7 118.5 . . ?
C3_7 C2_7 H2_7 118.5 . . ?
O3_7 C3_7 C2_7 125.1(4) . . ?
O3_7 C3_7 C4_7 115.6(4) . . ?
C2_7 C3_7 C4_7 119.3(4) . . ?
C3_7 O3_7 EuB_1 134.5(3) . . ?
C3_7 O3_7 EuA_1 132.0(3) . . ?
C5_7 C4_7 C9_7 120.0 . . ?
C5_7 C4_7 C3_7 122.5(3) . . ?
C9_7 C4_7 C3_7 117.4(3) . . ?
C6_7 C5_7 C4_7 120.0 . . ?
C6_7 C5_7 H5_7 120.0 . . ?
C4_7 C5_7 H5_7 120.0 . . ?
C5_7 C6_7 C7_7 120.0 . . ?
C5_7 C6_7 H6_7 120.0 . . ?
C7_7 C6_7 H6_7 120.0 . . ?
C8_7 C7_7 C6_7 120.0 . . ?
C8_7 C7_7 H7_7 120.0 . . ?
C6_7 C7_7 H7_7 120.0 . . ?
C7_7 C8_7 C9_7 120.0 . . ?
C7_7 C8_7 H8_7 120.0 . . ?
C9_7 C8_7 H8_7 120.0 . . ?
C8_7 C9_7 C4_7 120.0 . . ?
C8_7 C9_7 H9_7 120.0 . . ?
C4_7 C9_7 H9_7 120.0 . . ?
C11_7 C10_7 C15_7 120.0 . . ?
C11_7 C10_7 C1_7 123.3(3) . . ?
C15_7 C10_7 C1_7 116.6(3) . . ?
C10_7 C11_7 C12_7 120.0 . . ?
C10_7 C11_7 H11_7 120.0 . . ?
C12_7 C11_7 H11_7 120.0 . . ?
C11_7 C12_7 C13_7 120.0 . . ?
C11_7 C12_7 H12_7 120.0 . . ?
C13_7 C12_7 H12_7 120.0 . . ?
C12_7 C13_7 C14_7 120.0 . . ?
C12_7 C13_7 H13_7 120.0 . . ?
C14_7 C13_7 H13_7 120.0 . . ?
C15_7 C14_7 C13_7 120.0 . . ?
C15_7 C14_7 H14_7 120.0 . . ?
C13_7 C14_7 H14_7 120.0 . . ?
C14_7 C15_7 C10_7 120.0 . . ?
C14_7 C15_7 H15_7 120.0 . . ?
C10_7 C15_7 H15_7 120.0 . . ?
C1_8 O1_8 EuB_1 134.3(3) . . ?
C1_8 O1_8 EuA_1 134.0(3) . . ?
O1_8 C1_8 C2_8 123.7(4) . . ?
O1_8 C1_8 C10_8 116.4(4) . . ?
C2_8 C1_8 C10_8 119.8(4) . . ?
O1_8 C1_8 EuB_1 29.1(2) . . ?
C2_8 C1_8 EuB_1 97.4(3) . . ?
C10_8 C1_8 EuB_1 140.1(3) . . ?
C1_8 C2_8 C3_8 123.2(4) . . ?
C1_8 C2_8 H2_8 118.4 . . ?
C3_8 C2_8 H2_8 118.4 . . ?
O3_8 C3_8 C2_8 125.0(4) . . ?
O3_8 C3_8 C4_8 117.1(4) . . ?
C2_8 C3_8 C4_8 117.8(4) . . ?
O3_8 C3_8 EuB_1 30.7(2) . . ?
C2_8 C3_8 EuB_1 94.3(3) . . ?
C4_8 C3_8 EuB_1 147.8(3) . . ?
C3_8 O3_8 EuB_1 132.9(3) . . ?
C3_8 O3_8 EuA_1 136.9(3) . . ?
C5_8 C4_8 C9_8 120.0 . . ?
C5_8 C4_8 C3_8 121.6(3) . . ?
C9_8 C4_8 C3_8 118.4(3) . . ?
C4_8 C5_8 C6_8 120.0 . . ?
C4_8 C5_8 H5_8 120.0 . . ?
C6_8 C5_8 H5_8 120.0 . . ?
C7_8 C6_8 C5_8 120.0 . . ?
C7_8 C6_8 H6_8 120.0 . . ?
C5_8 C6_8 H6_8 120.0 . . ?
C6_8 C7_8 C8_8 120.0 . . ?
C6_8 C7_8 H7_8 120.0 . . ?
C8_8 C7_8 H7_8 120.0 . . ?
C9_8 C8_8 C7_8 120.0 . . ?
C9_8 C8_8 H8_8 120.0 . . ?
C7_8 C8_8 H8_8 120.0 . . ?
C8_8 C9_8 C4_8 120.0 . . ?
C8_8 C9_8 H9_8 120.0 . . ?
C4_8 C9_8 H9_8 120.0 . . ?
C11_8 C10_8 C15_8 120.0 . . ?
C11_8 C10_8 C1_8 122.7(3) . . ?
C15_8 C10_8 C1_8 117.0(3) . . ?
C12_8 C11_8 C10_8 120.0 . . ?
C12_8 C11_8 H11_8 120.0 . . ?
C10_8 C11_8 H11_8 120.0 . . ?
C11_8 C12_8 C13_8 120.0 . . ?
C11_8 C12_8 H12_8 120.0 . . ?
C13_8 C12_8 H12_8 120.0 . . ?
C14_8 C13_8 C12_8 120.0 . . ?
C14_8 C13_8 H13_8 120.0 . . ?
C12_8 C13_8 H13_8 120.0 . . ?
C13_8 C14_8 C15_8 120.0 . . ?
C13_8 C14_8 H14_8 120.0 . . ?
C15_8 C14_8 H14_8 120.0 . . ?
C14_8 C15_8 C10_8 120.0 . . ?
C14_8 C15_8 H15_8 120.0 . . ?
C10_8 C15_8 H15_8 120.0 . . ?
C1A_9 O1A_9 EuA_2 130.3(3) . . ?
O1A_9 C1A_9 C2A_9 124.3(5) . . ?
O1A_9 C1A_9 C10A_9 116.8(4) . . ?
C2A_9 C1A_9 C10A_9 118.8(5) . . ?
C3A_9 C2A_9 C1A_9 123.3(5) . . ?
C3A_9 C2A_9 H2A_9 118.4 . . ?
C1A_9 C2A_9 H2A_9 118.4 . . ?
O3A_9 C3A_9 C2A_9 124.9(5) . . ?
O3A_9 C3A_9 C4A_9 115.1(5) . . ?
C2A_9 C3A_9 C4A_9 119.9(5) . . ?
C3A_9 O3A_9 EuA_2 130.6(4) . . ?
C5A_9 C4A_9 C9A_9 120.0 . . ?
C5A_9 C4A_9 C3A_9 122.2(4) . . ?
C9A_9 C4A_9 C3A_9 117.8(4) . . ?
C4A_9 C5A_9 C6A_9 120.0 . . ?
C4A_9 C5A_9 H5A_9 120.0 . . ?
C6A_9 C5A_9 H5A_9 120.0 . . ?
C7A_9 C6A_9 C5A_9 120.0 . . ?
C7A_9 C6A_9 H6A_9 120.0 . . ?
C5A_9 C6A_9 H6A_9 120.0 . . ?
C8A_9 C7A_9 C6A_9 120.0 . . ?
C8A_9 C7A_9 H7A_9 120.0 . . ?
C6A_9 C7A_9 H7A_9 120.0 . . ?
C7A_9 C8A_9 C9A_9 120.0 . . ?
C7A_9 C8A_9 H8A_9 120.0 . . ?
C9A_9 C8A_9 H8A_9 120.0 . . ?
C8A_9 C9A_9 C4A_9 120.0 . . ?
C8A_9 C9A_9 H9A_9 120.0 . . ?
C4A_9 C9A_9 H9A_9 120.0 . . ?
C11A_9 C10A_9 C15A_9 120.0 . . ?
C11A_9 C10A_9 C1A_9 117.0(3) . . ?
C15A_9 C10A_9 C1A_9 123.0(3) . . ?
C10A_9 C11A_9 C12A_9 120.0 . . ?
C10A_9 C11A_9 H11A_9 120.0 . . ?
C12A_9 C11A_9 H11A_9 120.0 . . ?
C13A_9 C12A_9 C11A_9 120.0 . . ?
C13A_9 C12A_9 H12A_9 120.0 . . ?
C11A_9 C12A_9 H12A_9 120.0 . . ?
C12A_9 C13A_9 C14A_9 120.0 . . ?
C12A_9 C13A_9 H13A_9 120.0 . . ?
C14A_9 C13A_9 H13A_9 120.0 . . ?
C13A_9 C14A_9 C15A_9 120.0 . . ?
C13A_9 C14A_9 H14A_9 120.0 . . ?
C15A_9 C14A_9 H14A_9 120.0 . . ?
C14A_9 C15A_9 C10A_9 120.0 . . ?
C14A_9 C15A_9 H15A_9 120.0 . . ?
C10A_9 C15A_9 H15A_9 120.0 . . ?
C1B_9 O1B_9 EuB_2 126.8(19) . . ?
O1B_9 C1B_9 C2B_9 125(2) . . ?
O1B_9 C1B_9 C10B_9 116(2) . . ?
C2B_9 C1B_9 C10B_9 118.5(19) . . ?
C3B_9 C2B_9 C1B_9 126(2) . . ?
C3B_9 C2B_9 H2B_9 117.2 . . ?
C1B_9 C2B_9 H2B_9 117.2 . . ?
O3B_9 C3B_9 C2B_9 124(2) . . ?
O3B_9 C3B_9 C4B_9 115(2) . . ?
C2B_9 C3B_9 C4B_9 120(2) . . ?
C3B_9 O3B_9 EuB_2 131(2) . . ?
C5B_9 C4B_9 C9B_9 120.0 . . ?
C5B_9 C4B_9 C3B_9 126(2) . . ?
C9B_9 C4B_9 C3B_9 114(2) . . ?
C4B_9 C5B_9 C6B_9 120.0 . . ?
C4B_9 C5B_9 H5B_9 120.0 . . ?
C6B_9 C5B_9 H5B_9 120.0 . . ?
C7B_9 C6B_9 C5B_9 120.0 . . ?
C7B_9 C6B_9 H6B_9 120.0 . . ?
C5B_9 C6B_9 H6B_9 120.0 . . ?
C6B_9 C7B_9 C8B_9 120.0 . . ?
C6B_9 C7B_9 H7B_9 120.0 . . ?
C8B_9 C7B_9 H7B_9 120.0 . . ?
C9B_9 C8B_9 C7B_9 120.0 . . ?
C9B_9 C8B_9 H8B_9 120.0 . . ?
C7B_9 C8B_9 H8B_9 120.0 . . ?
C8B_9 C9B_9 C4B_9 120.0 . . ?
C8B_9 C9B_9 H9B_9 120.0 . . ?
C4B_9 C9B_9 H9B_9 120.0 . . ?
C11B_9 C10B_9 C15B_9 120.0 . . ?
C11B_9 C10B_9 C1B_9 117(2) . . ?
C15B_9 C10B_9 C1B_9 123(2) . . ?
C12B_9 C11B_9 C10B_9 120.0 . . ?
C12B_9 C11B_9 H11B_9 120.0 . . ?
C10B_9 C11B_9 H11B_9 120.0 . . ?
C13B_9 C12B_9 C11B_9 120.0 . . ?
C13B_9 C12B_9 H12B_9 120.0 . . ?
C11B_9 C12B_9 H12B_9 120.0 . . ?
C12B_9 C13B_9 C14B_9 120.0 . . ?
C12B_9 C13B_9 H13B_9 120.0 . . ?
C14B_9 C13B_9 H13B_9 120.0 . . ?
C13B_9 C14B_9 C15B_9 120.0 . . ?
C13B_9 C14B_9 H14B_9 120.0 . . ?
C15B_9 C14B_9 H14B_9 120.0 . . ?
C14B_9 C15B_9 C10B_9 120.0 . . ?
C14B_9 C15B_9 H15B_9 120.0 . . ?
C10B_9 C15B_9 H15B_9 120.0 . . ?
C1A_10 O1A_10 EuA_2 134.6(3) . . ?
O1A_10 C1A_10 C2A_10 124.7(5) . . ?
O1A_10 C1A_10 C10A_10 114.2(4) . . ?
C2A_10 C1A_10 C10A_10 121.1(4) . . ?
C3A_10 C2A_10 C1A_10 122.9(5) . . ?
C3A_10 C2A_10 H2A_10 118.6 . . ?
C1A_10 C2A_10 H2A_10 118.6 . . ?
O3A_10 C3A_10 C2A_10 124.4(5) . . ?
O3A_10 C3A_10 C4A_10 116.1(4) . . ?
C2A_10 C3A_10 C4A_10 119.5(4) . . ?
C3A_10 O3A_10 EuA_2 131.3(3) . . ?
C5A_10 C4A_10 C9A_10 120.0 . . ?
C5A_10 C4A_10 C3A_10 123.1(3) . . ?
C9A_10 C4A_10 C3A_10 116.9(3) . . ?
C4A_10 C5A_10 C6A_10 120.0 . . ?
C4A_10 C5A_10 H5A_10 120.0 . . ?
C6A_10 C5A_10 H5A_10 120.0 . . ?
C5A_10 C6A_10 C7A_10 120.0 . . ?
C5A_10 C6A_10 H6A_10 120.0 . . ?
C7A_10 C6A_10 H6A_10 120.0 . . ?
C6A_10 C7A_10 C8A_10 120.0 . . ?
C6A_10 C7A_10 H7A_10 120.0 . . ?
C8A_10 C7A_10 H7A_10 120.0 . . ?
C9A_10 C8A_10 C7A_10 120.0 . . ?
C9A_10 C8A_10 H8A_10 120.0 . . ?
C7A_10 C8A_10 H8A_10 120.0 . . ?
C8A_10 C9A_10 C4A_10 120.0 . . ?
C8A_10 C9A_10 H9A_10 120.0 . . ?
C4A_10 C9A_10 H9A_10 120.0 . . ?
C11A_10 C10A_10 C15A_10 120.0 . . ?
C11A_10 C10A_10 C1A_10 123.0(3) . . ?
C15A_10 C10A_10 C1A_10 117.0(3) . . ?
C12A_10 C11A_10 C10A_10 120.0 . . ?
C12A_10 C11A_10 H11A_10 120.0 . . ?
C10A_10 C11A_10 H11A_10 120.0 . . ?
C13A_10 C12A_10 C11A_10 120.0 . . ?
C13A_10 C12A_10 H12A_10 120.0 . . ?
C11A_10 C12A_10 H12A_10 120.0 . . ?
C12A_10 C13A_10 C14A_10 120.0 . . ?
C12A_10 C13A_10 H13A_10 120.0 . . ?
C14A_10 C13A_10 H13A_10 120.0 . . ?
C13A_10 C14A_10 C15A_10 120.0 . . ?
C13A_10 C14A_10 H14A_10 120.0 . . ?
C15A_10 C14A_10 H14A_10 120.0 . . ?
C14A_10 C15A_10 C10A_10 120.0 . . ?
C14A_10 C15A_10 H15A_10 120.0 . . ?
C10A_10 C15A_10 H15A_10 120.0 . . ?
C1B_10 O1B_10 EuB_2 138.4(18) . . ?
O1B_10 C1B_10 C2B_10 125(2) . . ?
O1B_10 C1B_10 C10B_10 114.5(19) . . ?
C2B_10 C1B_10 C10B_10 120.8(19) . . ?
C1B_10 C2B_10 C3B_10 121(2) . . ?
C1B_10 C2B_10 H2B_10 119.4 . . ?
C3B_10 C2B_10 H2B_10 119.4 . . ?
O3B_10 C3B_10 C2B_10 125(2) . . ?
O3B_10 C3B_10 C4B_10 116(2) . . ?
C2B_10 C3B_10 C4B_10 119.1(19) . . ?
C3B_10 O3B_10 EuB_2 135(2) . . ?
C5B_10 C4B_10 C9B_10 120.0 . . ?
C5B_10 C4B_10 C3B_10 121(2) . . ?
C9B_10 C4B_10 C3B_10 119(2) . . ?
C6B_10 C5B_10 C4B_10 120.0 . . ?
C6B_10 C5B_10 H5B_10 120.0 . . ?
C4B_10 C5B_10 H5B_10 120.0 . . ?
C5B_10 C6B_10 C7B_10 120.0 . . ?
C5B_10 C6B_10 H6B_10 120.0 . . ?
C7B_10 C6B_10 H6B_10 120.0 . . ?
C6B_10 C7B_10 C8B_10 120.0 . . ?
C6B_10 C7B_10 H7B_10 120.0 . . ?
C8B_10 C7B_10 H7B_10 120.0 . . ?
C9B_10 C8B_10 C7B_10 120.0 . . ?
C9B_10 C8B_10 H8B_10 120.0 . . ?
C7B_10 C8B_10 H8B_10 120.0 . . ?
C8B_10 C9B_10 C4B_10 120.0 . . ?
C8B_10 C9B_10 H9B_10 120.0 . . ?
C4B_10 C9B_10 H9B_10 120.0 . . ?
C11B_10 C10B_10 C15B_10 120.0 . . ?
C11B_10 C10B_10 C1B_10 124.3(19) . . ?
C15B_10 C10B_10 C1B_10 115.7(19) . . ?
C10B_10 C11B_10 C12B_10 120.0 . . ?
C10B_10 C11B_10 H11B_10 120.0 . . ?
C12B_10 C11B_10 H11B_10 120.0 . . ?
C11B_10 C12B_10 C13B_10 120.0 . . ?
C11B_10 C12B_10 H12B_10 120.0 . . ?
C13B_10 C12B_10 H12B_10 120.0 . . ?
C14B_10 C13B_10 C12B_10 120.0 . . ?
C14B_10 C13B_10 H13B_10 120.0 . . ?
C12B_10 C13B_10 H13B_10 120.0 . . ?
C13B_10 C14B_10 C15B_10 120.0 . . ?
C13B_10 C14B_10 H14B_10 120.0 . . ?
C15B_10 C14B_10 H14B_10 120.0 . . ?
C14B_10 C15B_10 C10B_10 120.0 . . ?
C14B_10 C15B_10 H15B_10 120.0 . . ?
C10B_10 C15B_10 H15B_10 120.0 . . ?
C1A_11 O1A_11 EuA_2 128.2(3) . . ?
O1A_11 C1A_11 C2A_11 124.1(5) . . ?
O1A_11 C1A_11 C10A_11 115.7(4) . . ?
C2A_11 C1A_11 C10A_11 120.0(4) . . ?
C1A_11 C2A_11 C3A_11 122.7(5) . . ?
C1A_11 C2A_11 H2A_11 118.6 . . ?
C3A_11 C2A_11 H2A_11 118.6 . . ?
O3A_11 C3A_11 C2A_11 124.4(5) . . ?
O3A_11 C3A_11 C4A_11 115.7(5) . . ?
C2A_11 C3A_11 C4A_11 119.9(5) . . ?
C3A_11 O3A_11 EuA_2 134.6(4) . . ?
C5A_11 C4A_11 C9A_11 120.0 . . ?
C5A_11 C4A_11 C3A_11 122.9(4) . . ?
C9A_11 C4A_11 C3A_11 117.1(4) . . ?
C4A_11 C5A_11 C6A_11 120.0 . . ?
C4A_11 C5A_11 H5A_11 120.0 . . ?
C6A_11 C5A_11 H5A_11 120.0 . . ?
C5A_11 C6A_11 C7A_11 120.0 . . ?
C5A_11 C6A_11 H6A_11 120.0 . . ?
C7A_11 C6A_11 H6A_11 120.0 . . ?
C8A_11 C7A_11 C6A_11 120.0 . . ?
C8A_11 C7A_11 H7A_11 120.0 . . ?
C6A_11 C7A_11 H7A_11 120.0 . . ?
C9A_11 C8A_11 C7A_11 120.0 . . ?
C9A_11 C8A_11 H8A_11 120.0 . . ?
C7A_11 C8A_11 H8A_11 120.0 . . ?
C8A_11 C9A_11 C4A_11 120.0 . . ?
C8A_11 C9A_11 H9A_11 120.0 . . ?
C4A_11 C9A_11 H9A_11 120.0 . . ?
C11A_11 C10A_11 C15A_11 120.0 . . ?
C11A_11 C10A_11 C1A_11 122.8(3) . . ?
C15A_11 C10A_11 C1A_11 117.2(3) . . ?
C10A_11 C11A_11 C12A_11 120.0 . . ?
C10A_11 C11A_11 H11A_11 120.0 . . ?
C12A_11 C11A_11 H11A_11 120.0 . . ?
C13A_11 C12A_11 C11A_11 120.0 . . ?
C13A_11 C12A_11 H12A_11 120.0 . . ?
C11A_11 C12A_11 H12A_11 120.0 . . ?
C14A_11 C13A_11 C12A_11 120.0 . . ?
C14A_11 C13A_11 H13A_11 120.0 . . ?
C12A_11 C13A_11 H13A_11 120.0 . . ?
C13A_11 C14A_11 C15A_11 120.0 . . ?
C13A_11 C14A_11 H14A_11 120.0 . . ?
C15A_11 C14A_11 H14A_11 120.0 . . ?
C14A_11 C15A_11 C10A_11 120.0 . . ?
C14A_11 C15A_11 H15A_11 120.0 . . ?
C10A_11 C15A_11 H15A_11 120.0 . . ?
C1B_11 O1B_11 EuB_2 132.0(19) . . ?
O1B_11 C1B_11 C2B_11 124(2) . . ?
O1B_11 C1B_11 C10B_11 117.3(19) . . ?
C2B_11 C1B_11 C10B_11 118.0(18) . . ?
C1B_11 C2B_11 C3B_11 120.5(19) . . ?
C1B_11 C2B_11 H2B_11 119.8 . . ?
C3B_11 C2B_11 H2B_11 119.8 . . ?
O3B_11 C3B_11 C2B_11 125(2) . . ?
O3B_11 C3B_11 C4B_11 116(2) . . ?
C2B_11 C3B_11 C4B_11 119(2) . . ?
C3B_11 O3B_11 EuB_2 132(2) . . ?
C5B_11 C4B_11 C9B_11 120.0 . . ?
C5B_11 C4B_11 C3B_11 123(2) . . ?
C9B_11 C4B_11 C3B_11 117(2) . . ?
C6B_11 C5B_11 C4B_11 120.0 . . ?
C6B_11 C5B_11 H5B_11 120.0 . . ?
C4B_11 C5B_11 H5B_11 120.0 . . ?
C5B_11 C6B_11 C7B_11 120.0 . . ?
C5B_11 C6B_11 H6B_11 120.0 . . ?
C7B_11 C6B_11 H6B_11 120.0 . . ?
C8B_11 C7B_11 C6B_11 120.0 . . ?
C8B_11 C7B_11 H7B_11 120.0 . . ?
C6B_11 C7B_11 H7B_11 120.0 . . ?
C7B_11 C8B_11 C9B_11 120.0 . . ?
C7B_11 C8B_11 H8B_11 120.0 . . ?
C9B_11 C8B_11 H8B_11 120.0 . . ?
C8B_11 C9B_11 C4B_11 120.0 . . ?
C8B_11 C9B_11 H9B_11 120.0 . . ?
C4B_11 C9B_11 H9B_11 120.0 . . ?
C11B_11 C10B_11 C15B_11 120.0 . . ?
C11B_11 C10B_11 C1B_11 121.4(17) . . ?
C15B_11 C10B_11 C1B_11 118.6(17) . . ?
C10B_11 C11B_11 C12B_11 120.0 . . ?
C10B_11 C11B_11 H11B_11 120.0 . . ?
C12B_11 C11B_11 H11B_11 120.0 . . ?
C13B_11 C12B_11 C11B_11 120.0 . . ?
C13B_11 C12B_11 H12B_11 120.0 . . ?
C11B_11 C12B_11 H12B_11 120.0 . . ?
C14B_11 C13B_11 C12B_11 120.0 . . ?
C14B_11 C13B_11 H13B_11 120.0 . . ?
C12B_11 C13B_11 H13B_11 120.0 . . ?
C13B_11 C14B_11 C15B_11 120.0 . . ?
C13B_11 C14B_11 H14B_11 120.0 . . ?
C15B_11 C14B_11 H14B_11 120.0 . . ?
C14B_11 C15B_11 C10B_11 120.0 . . ?
C14B_11 C15B_11 H15B_11 120.0 . . ?
C10B_11 C15B_11 H15B_11 120.0 . . ?
C1A_12 O1A_12 EuA_2 134.3(3) . . ?
O1A_12 C1A_12 C2A_12 123.8(5) . . ?
O1A_12 C1A_12 C10A_12 116.0(5) . . ?
C2A_12 C1A_12 C10A_12 120.1(5) . . ?
C1A_12 C2A_12 C3A_12 122.7(5) . . ?
C1A_12 C2A_12 H2A_12 118.7 . . ?
C3A_12 C2A_12 H2A_12 118.7 . . ?
O3A_12 C3A_12 C2A_12 125.1(5) . . ?
O3A_12 C3A_12 C4A_12 116.6(4) . . ?
C2A_12 C3A_12 C4A_12 118.3(4) . . ?
C3A_12 O3A_12 EuA_2 136.0(3) . . ?
C5A_12 C4A_12 C9A_12 120.0 . . ?
C5A_12 C4A_12 C3A_12 119.3(3) . . ?
C9A_12 C4A_12 C3A_12 120.7(3) . . ?
C4A_12 C5A_12 C6A_12 120.0 . . ?
C4A_12 C5A_12 H5A_12 120.0 . . ?
C6A_12 C5A_12 H5A_12 120.0 . . ?
C7A_12 C6A_12 C5A_12 120.0 . . ?
C7A_12 C6A_12 H6A_12 120.0 . . ?
C5A_12 C6A_12 H6A_12 120.0 . . ?
C8A_12 C7A_12 C6A_12 120.0 . . ?
C8A_12 C7A_12 H7A_12 120.0 . . ?
C6A_12 C7A_12 H7A_12 120.0 . . ?
C7A_12 C8A_12 C9A_12 120.0 . . ?
C7A_12 C8A_12 H8A_12 120.0 . . ?
C9A_12 C8A_12 H8A_12 120.0 . . ?
C8A_12 C9A_12 C4A_12 120.0 . . ?
C8A_12 C9A_12 H9A_12 120.0 . . ?
C4A_12 C9A_12 H9A_12 120.0 . . ?
C11A_12 C10A_12 C15A_12 120.0 . . ?
C11A_12 C10A_12 C1A_12 117.3(3) . . ?
C15A_12 C10A_12 C1A_12 122.7(3) . . ?
C12A_12 C11A_12 C10A_12 120.0 . . ?
C12A_12 C11A_12 H11A_12 120.0 . . ?
C10A_12 C11A_12 H11A_12 120.0 . . ?
C13A_12 C12A_12 C11A_12 120.0 . . ?
C13A_12 C12A_12 H12A_12 120.0 . . ?
C11A_12 C12A_12 H12A_12 120.0 . . ?
C12A_12 C13A_12 C14A_12 120.0 . . ?
C12A_12 C13A_12 H13A_12 120.0 . . ?
C14A_12 C13A_12 H13A_12 120.0 . . ?
C15A_12 C14A_12 C13A_12 120.0 . . ?
C15A_12 C14A_12 H14A_12 120.0 . . ?
C13A_12 C14A_12 H14A_12 120.0 . . ?
C14A_12 C15A_12 C10A_12 120.0 . . ?
C14A_12 C15A_12 H15A_12 120.0 . . ?
C10A_12 C15A_12 H15A_12 120.0 . . ?
C1B_12 O1B_12 EuB_2 135(2) . . ?
O1B_12 C1B_12 C2B_12 124(2) . . ?
O1B_12 C1B_12 C10B_12 115(2) . . ?
C2B_12 C1B_12 C10B_12 120.4(19) . . ?
C1B_12 C2B_12 C3B_12 122(2) . . ?
C1B_12 C2B_12 H2B_12 118.8 . . ?
C3B_12 C2B_12 H2B_12 118.8 . . ?
O3B_12 C3B_12 C2B_12 127(2) . . ?
O3B_12 C3B_12 C4B_12 114.4(18) . . ?
C2B_12 C3B_12 C4B_12 118.1(17) . . ?
C3B_12 O3B_12 EuB_2 133.6(18) . . ?
C5B_12 C4B_12 C9B_12 120.0 . . ?
C5B_12 C4B_12 C3B_12 121.1(19) . . ?
C9B_12 C4B_12 C3B_12 118.9(19) . . ?
C4B_12 C5B_12 C6B_12 120.0 . . ?
C4B_12 C5B_12 H5B_12 120.0 . . ?
C6B_12 C5B_12 H5B_12 120.0 . . ?
C7B_12 C6B_12 C5B_12 120.0 . . ?
C7B_12 C6B_12 H6B_12 120.0 . . ?
C5B_12 C6B_12 H6B_12 120.0 . . ?
C6B_12 C7B_12 C8B_12 120.0 . . ?
C6B_12 C7B_12 H7B_12 120.0 . . ?
C8B_12 C7B_12 H7B_12 120.0 . . ?
C9B_12 C8B_12 C7B_12 120.0 . . ?
C9B_12 C8B_12 H8B_12 120.0 . . ?
C7B_12 C8B_12 H8B_12 120.0 . . ?
C8B_12 C9B_12 C4B_12 120.0 . . ?
C8B_12 C9B_12 H9B_12 120.0 . . ?
C4B_12 C9B_12 H9B_12 120.0 . . ?
C11B_12 C10B_12 C15B_12 120.0 . . ?
C11B_12 C10B_12 C1B_12 117(2) . . ?
C15B_12 C10B_12 C1B_12 123(2) . . ?
C10B_12 C11B_12 C12B_12 120.0 . . ?
C10B_12 C11B_12 H11B_12 120.0 . . ?
C12B_12 C11B_12 H11B_12 120.0 . . ?
C13B_12 C12B_12 C11B_12 120.0 . . ?
C13B_12 C12B_12 H12B_12 120.0 . . ?
C11B_12 C12B_12 H12B_12 120.0 . . ?
C12B_12 C13B_12 C14B_12 120.0 . . ?
C12B_12 C13B_12 H13B_12 120.0 . . ?
C14B_12 C13B_12 H13B_12 120.0 . . ?
C15B_12 C14B_12 C13B_12 120.0 . . ?
C15B_12 C14B_12 H14B_12 120.0 . . ?
C13B_12 C14B_12 H14B_12 120.0 . . ?
C14B_12 C15B_12 C10B_12 120.0 . . ?
C14B_12 C15B_12 H15B_12 120.0 . . ?
C10B_12 C15B_12 H15B_12 120.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1B_3 C2BA_3 C3BA_3 C4BA_3 -169.2(8) . . . . ?
C2BA_3 C3BA_3 C4BA_3 C5BA_3 -64.6(12) . . . . ?
C3BA_3 C4BA_3 C5BA_3 C6BA_3 -71.3(11) . . . . ?
C4BA_3 C5BA_3 C6BA_3 C7BA_3 176.3(8) . . . . ?
C5BA_3 C6BA_3 C7BA_3 C8BA_3 178.2(8) . . . . ?
C1B_3 C2BB_3 C3BB_3 C4BB_3 -173(2) . . . . ?
C2BB_3 C3BB_3 C4BB_3 C5BB_3 -177(2) . . . . ?
C3BB_3 C4BB_3 C5BB_3 C6BB_3 69(4) . . . . ?
C4BB_3 C5BB_3 C6BB_3 C7BB_3 59(5) . . . . ?
C5BB_3 C6BB_3 C7BB_3 C8BB_3 172(3) . . . . ?
C1B_3 C2BC_3 C3BC_3 C4BC_3 -86(5) . . . . ?
C2BC_3 C3BC_3 C4BC_3 C5BC_3 -79(7) . . . . ?
C3BC_3 C4BC_3 C5BC_3 C6BC_3 174(6) . . . . ?
C4BC_3 C5BC_3 C6BC_3 C7BC_3 -174(6) . . . . ?
C5BC_3 C6BC_3 C7BC_3 C8BC_3 176(6) . . . . ?
CME_3 P_3 C1A_3 C2A_3 -53.8(4) . . . . ?
C1B_3 P_3 C1A_3 C2A_3 -174.5(4) . . . . ?
C1C_3 P_3 C1A_3 C2A_3 65.0(4) . . . . ?
P_3 C1A_3 C2A_3 C3A_3 178.7(4) . . . . ?
C1A_3 C2A_3 C3A_3 C4A_3 173.7(5) . . . . ?
C2A_3 C3A_3 C4A_3 C5A_3 -179.9(5) . . . . ?
C3A_3 C4A_3 C5A_3 C6A_3 -67.8(7) . . . . ?
C4A_3 C5A_3 C6A_3 C7A_3 -169.1(5) . . . . ?
C5A_3 C6A_3 C7A_3 C8A_3 -172.8(5) . . . . ?
C3BC_3 C2BC_3 C1B_3 P_3 -175(4) . . . . ?
C3BA_3 C2BA_3 C1B_3 P_3 158.9(6) . . . . ?
C3BB_3 C2BB_3 C1B_3 P_3 -177.7(15) . . . . ?
CME_3 P_3 C1B_3 C2BC_3 56.9(5) . . . . ?
C1A_3 P_3 C1B_3 C2BC_3 176.7(4) . . . . ?
C1C_3 P_3 C1B_3 C2BC_3 -61.4(5) . . . . ?
CME_3 P_3 C1B_3 C2BA_3 56.9(5) . . . . ?
C1A_3 P_3 C1B_3 C2BA_3 176.7(4) . . . . ?
C1C_3 P_3 C1B_3 C2BA_3 -61.4(5) . . . . ?
CME_3 P_3 C1B_3 C2BB_3 56.9(5) . . . . ?
C1A_3 P_3 C1B_3 C2BB_3 176.7(4) . . . . ?
C1C_3 P_3 C1B_3 C2BB_3 -61.4(5) . . . . ?
CME_3 P_3 C1C_3 C2C_3 -159.0(4) . . . . ?
C1B_3 P_3 C1C_3 C2C_3 -39.1(5) . . . . ?
C1A_3 P_3 C1C_3 C2C_3 81.6(4) . . . . ?
P_3 C1C_3 C2C_3 C3C_3 -171.7(4) . . . . ?
C1C_3 C2C_3 C3C_3 C4C_3 -173.2(5) . . . . ?
C2C_3 C3C_3 C4C_3 C5C_3 -171.8(5) . . . . ?
C3C_3 C4C_3 C5C_3 C6C_3 -176.3(5) . . . . ?
C4C_3 C5C_3 C6C_3 C7C_3 -171.5(6) . . . . ?
C5C_3 C6C_3 C7C_3 C8C_3 -57.7(9) . . . . ?
CMEA_4 PA_4 C1AA_4 C2AA_4 -171.6(5) . . . . ?
C1CA_4 PA_4 C1AA_4 C2AA_4 -52.0(6) . . . . ?
C1BA_4 PA_4 C1AA_4 C2AA_4 68.6(5) . . . . ?
PA_4 C1AA_4 C2AA_4 C3AA_4 -160.9(5) . . . . ?
C1AA_4 C2AA_4 C3AA_4 C4AA_4 -173.2(6) . . . . ?
C2AA_4 C3AA_4 C4AA_4 C5AA_4 -179.9(6) . . . . ?
C3AA_4 C4AA_4 C5AA_4 C6AA_4 -179.6(7) . . . . ?
C4AA_4 C5AA_4 C6AA_4 C7AA_4 179.2(6) . . . . ?
C5AA_4 C6AA_4 C7AA_4 C8AA_4 176.6(7) . . . . ?
CMEA_4 PA_4 C1BA_4 C2BA_4 -44.4(6) . . . . ?
C1CA_4 PA_4 C1BA_4 C2BA_4 -164.7(5) . . . . ?
C1AA_4 PA_4 C1BA_4 C2BA_4 74.1(5) . . . . ?
PA_4 C1BA_4 C2BA_4 C3BA_4 -167.3(5) . . . . ?
C4BA_4 C5BA_4 C6BA_4 C7BA_4 69(2) . . . . ?
C5BA_4 C6BA_4 C7BA_4 C8BA_4 174.1(13) . . . . ?
CMEA_4 PA_4 C1CA_4 C2CA_4 60.7(5) . . . . ?
C1AA_4 PA_4 C1CA_4 C2CA_4 -58.7(5) . . . . ?
C1BA_4 PA_4 C1CA_4 C2CA_4 -178.0(4) . . . . ?
PA_4 C1CA_4 C2CA_4 C3CA_4 -174.9(4) . . . . ?
C1CA_4 C2CA_4 C3CA_4 C4CA_4 -172.7(5) . . . . ?
C2CA_4 C3CA_4 C4CA_4 C5CA_4 179.1(5) . . . . ?
C3CA_4 C4CA_4 C5CA_4 C6CA_4 67.0(8) . . . . ?
C4CA_4 C5CA_4 C6CA_4 C7CA_4 167.6(7) . . . . ?
C5CA_4 C6CA_4 C7CA_4 C8CA_4 -177.7(9) . . . . ?
C1BA_4 C2BA_4 C3BA_4 C4BA_4 71.6(7) . . . . ?
C2BA_4 C3BA_4 C4BA_4 C5BA_4 69.0(10) . . . . ?
C6BA_4 C5BA_4 C4BA_4 C3BA_4 177.5(13) . . . . ?
C1BB_4 PB_4 C1AB_4 C2AB_4 50(4) . . . . ?
C1CB_4 PB_4 C1AB_4 C2AB_4 -75(4) . . . . ?
CMEB_4 PB_4 C1AB_4 C2AB_4 162(4) . . . . ?
PB_4 C1AB_4 C2AB_4 C3AB_4 168(3) . . . . ?
C1AB_4 C2AB_4 C3AB_4 C4AB_4 174(4) . . . . ?
C2AB_4 C3AB_4 C4AB_4 C5AB_4 -176(4) . . . . ?
C3AB_4 C4AB_4 C5AB_4 C6AB_4 -169(4) . . . . ?
C4AB_4 C5AB_4 C6AB_4 C7AB_4 163(4) . . . . ?
C5AB_4 C6AB_4 C7AB_4 C8AB_4 49(6) . . . . ?
C1AB_4 PB_4 C1BB_4 C2BB_4 61(4) . . . . ?
C1CB_4 PB_4 C1BB_4 C2BB_4 -174(3) . . . . ?
CMEB_4 PB_4 C1BB_4 C2BB_4 -48(4) . . . . ?
PB_4 C1BB_4 C2BB_4 C3BB_4 -169(4) . . . . ?
C1BB_4 C2BB_4 C3BB_4 C4BB_4 77(6) . . . . ?
C2BB_4 C3BB_4 C4BB_4 C5BB_4 81(3) . . . . ?
C3BB_4 C4BB_4 C5BB_4 C6BB_4 -174.4(14) . . . . ?
C4BB_4 C5BB_4 C6BB_4 C7BB_4 178.1(16) . . . . ?
C5BB_4 C6BB_4 C7BB_4 C8BB_4 -169.5(15) . . . . ?
C1BB_4 PB_4 C1CB_4 C2CB_4 170(3) . . . . ?
C1AB_4 PB_4 C1CB_4 C2CB_4 -69(4) . . . . ?
CMEB_4 PB_4 C1CB_4 C2CB_4 48(4) . . . . ?
PB_4 C1CB_4 C2CB_4 C3CB_4 -179(3) . . . . ?
C1CB_4 C2CB_4 C3CB_4 C4CB_4 -169(3) . . . . ?
C2CB_4 C3CB_4 C4CB_4 C5CB_4 180(4) . . . . ?
C3CB_4 C4CB_4 C5CB_4 C6CB_4 66(5) . . . . ?
C4CB_4 C5CB_4 C6CB_4 C7CB_4 174(4) . . . . ?
C5CB_4 C6CB_4 C7CB_4 C8CB_4 174(5) . . . . ?
EuA_1 O1_5 C1_5 C2_5 37.4(7) . . . . ?
EuB_1 O1_5 C1_5 C2_5 43.7(7) . . . . ?
EuA_1 O1_5 C1_5 C10_5 -142.3(3) . . . . ?
EuB_1 O1_5 C1_5 C10_5 -135.9(3) . . . . ?
O1_5 C1_5 C2_5 C3_5 -4.2(8) . . . . ?
C10_5 C1_5 C2_5 C3_5 175.5(4) . . . . ?
C1_5 C2_5 C3_5 O3_5 -5.4(8) . . . . ?
C1_5 C2_5 C3_5 C4_5 176.7(4) . . . . ?
C2_5 C3_5 O3_5 EuA_1 -19.7(7) . . . . ?
C4_5 C3_5 O3_5 EuA_1 158.3(3) . . . . ?
C2_5 C3_5 O3_5 EuB_1 -30.0(7) . . . . ?
C4_5 C3_5 O3_5 EuB_1 148.0(3) . . . . ?
O3_5 C3_5 C4_5 C5_5 166.7(3) . . . . ?
C2_5 C3_5 C4_5 C5_5 -15.2(6) . . . . ?
O3_5 C3_5 C4_5 C9_5 -16.1(5) . . . . ?
C2_5 C3_5 C4_5 C9_5 161.9(4) . . . . ?
C9_5 C4_5 C5_5 C6_5 0.0 . . . . ?
C3_5 C4_5 C5_5 C6_5 177.1(4) . . . . ?
C4_5 C5_5 C6_5 C7_5 0.0 . . . . ?
C5_5 C6_5 C7_5 C8_5 0.0 . . . . ?
C6_5 C7_5 C8_5 C9_5 0.0 . . . . ?
C7_5 C8_5 C9_5 C4_5 0.0 . . . . ?
C5_5 C4_5 C9_5 C8_5 0.0 . . . . ?
C3_5 C4_5 C9_5 C8_5 -177.3(3) . . . . ?
O1_5 C1_5 C10_5 C11_5 4.7(5) . . . . ?
C2_5 C1_5 C10_5 C11_5 -175.0(4) . . . . ?
O1_5 C1_5 C10_5 C15_5 -177.8(3) . . . . ?
C2_5 C1_5 C10_5 C15_5 2.5(6) . . . . ?
C15_5 C10_5 C11_5 C12_5 0.0 . . . . ?
C1_5 C10_5 C11_5 C12_5 177.5(4) . . . . ?
C10_5 C11_5 C12_5 C13_5 0.0 . . . . ?
C11_5 C12_5 C13_5 C14_5 0.0 . . . . ?
C12_5 C13_5 C14_5 C15_5 0.0 . . . . ?
C13_5 C14_5 C15_5 C10_5 0.0 . . . . ?
C11_5 C10_5 C15_5 C14_5 0.0 . . . . ?
C1_5 C10_5 C15_5 C14_5 -177.4(4) . . . . ?
EuA_1 O1A_6 C1A_6 C2A_6 -37.4(7) . . . . ?
EuA_1 O1A_6 C1A_6 C10A_6 139.0(4) . . . . ?
O1A_6 C1A_6 C2A_6 C3A_6 4.1(9) . . . . ?
C10A_6 C1A_6 C2A_6 C3A_6 -172.3(5) . . . . ?
C1A_6 C2A_6 C3A_6 O3A_6 10.4(9) . . . . ?
C1A_6 C2A_6 C3A_6 C4A_6 -172.5(5) . . . . ?
O3A_6 C3A_6 C4A_6 C5A_6 -164.9(4) . . . . ?
C2A_6 C3A_6 C4A_6 C5A_6 17.7(6) . . . . ?
O3A_6 C3A_6 C4A_6 C9A_6 14.1(6) . . . . ?
C2A_6 C3A_6 C4A_6 C9A_6 -163.3(4) . . . . ?
C9A_6 C4A_6 C5A_6 C6A_6 0.0 . . . . ?
C3A_6 C4A_6 C5A_6 C6A_6 179.0(4) . . . . ?
C4A_6 C5A_6 C6A_6 C7A_6 0.0 . . . . ?
C5A_6 C6A_6 C7A_6 C8A_6 0.0 . . . . ?
C6A_6 C7A_6 C8A_6 C9A_6 0.0 . . . . ?
C7A_6 C8A_6 C9A_6 C4A_6 0.0 . . . . ?
C5A_6 C4A_6 C9A_6 C8A_6 0.0 . . . . ?
C3A_6 C4A_6 C9A_6 C8A_6 -179.0(4) . . . . ?
O1A_6 C1A_6 C10A_6 C11A_6 -145.2(4) . . . . ?
C2A_6 C1A_6 C10A_6 C11A_6 31.4(6) . . . . ?
O1A_6 C1A_6 C10A_6 C15A_6 34.6(6) . . . . ?
C2A_6 C1A_6 C10A_6 C15A_6 -148.9(4) . . . . ?
C15A_6 C10A_6 C11A_6 C12A_6 0.0 . . . . ?
C1A_6 C10A_6 C11A_6 C12A_6 179.7(4) . . . . ?
C10A_6 C11A_6 C12A_6 C13A_6 0.0 . . . . ?
C11A_6 C12A_6 C13A_6 C14A_6 0.0 . . . . ?
C12A_6 C13A_6 C14A_6 C15A_6 0.0 . . . . ?
C13A_6 C14A_6 C15A_6 C10A_6 0.0 . . . . ?
C11A_6 C10A_6 C15A_6 C14A_6 0.0 . . . . ?
C1A_6 C10A_6 C15A_6 C14A_6 -179.7(4) . . . . ?
C2A_6 C3A_6 O3A_6 EuA_1 11.3(9) . . . . ?
C4A_6 C3A_6 O3A_6 EuA_1 -166.0(3) . . . . ?
EuB_1 O1B_6 C1B_6 C2B_6 -37.8(15) . . . . ?
EuB_1 O1B_6 C1B_6 C10B_6 147.3(9) . . . . ?
O1B_6 C1B_6 C2B_6 C3B_6 0(2) . . . . ?
C10B_6 C1B_6 C2B_6 C3B_6 175(3) . . . . ?
C1B_6 C2B_6 C3B_6 O3B_6 -6(4) . . . . ?
C1B_6 C2B_6 C3B_6 C4B_6 178.1(15) . . . . ?
C2B_6 C3B_6 O3B_6 EuB_1 57(3) . . . . ?
C4B_6 C3B_6 O3B_6 EuB_1 -126.6(14) . . . . ?
O3B_6 C3B_6 C4B_6 C5B_6 175(3) . . . . ?
C2B_6 C3B_6 C4B_6 C5B_6 -9(3) . . . . ?
O3B_6 C3B_6 C4B_6 C9B_6 -5(3) . . . . ?
C2B_6 C3B_6 C4B_6 C9B_6 170(3) . . . . ?
C9B_6 C4B_6 C5B_6 C6B_6 0.0 . . . . ?
C3B_6 C4B_6 C5B_6 C6B_6 179.8(8) . . . . ?
C4B_6 C5B_6 C6B_6 C7B_6 0.0 . . . . ?
C5B_6 C6B_6 C7B_6 C8B_6 0.0 . . . . ?
C6B_6 C7B_6 C8B_6 C9B_6 0.0 . . . . ?
C7B_6 C8B_6 C9B_6 C4B_6 0.0 . . . . ?
C5B_6 C4B_6 C9B_6 C8B_6 0.0 . . . . ?
C3B_6 C4B_6 C9B_6 C8B_6 -179.8(8) . . . . ?
O1B_6 C1B_6 C10B_6 C11B_6 155.4(19) . . . . ?
C2B_6 C1B_6 C10B_6 C11B_6 -20.1(16) . . . . ?
O1B_6 C1B_6 C10B_6 C15B_6 -24(2) . . . . ?
C2B_6 C1B_6 C10B_6 C15B_6 160.4(16) . . . . ?
C15B_6 C10B_6 C11B_6 C12B_6 0.0 . . . . ?
C1B_6 C10B_6 C11B_6 C12B_6 -179.5(8) . . . . ?
C10B_6 C11B_6 C12B_6 C13B_6 0.0 . . . . ?
C11B_6 C12B_6 C13B_6 C14B_6 0.0 . . . . ?
C12B_6 C13B_6 C14B_6 C15B_6 0.0 . . . . ?
C13B_6 C14B_6 C15B_6 C10B_6 0.0 . . . . ?
C11B_6 C10B_6 C15B_6 C14B_6 0.0 . . . . ?
C1B_6 C10B_6 C15B_6 C14B_6 179.5(8) . . . . ?
EuB_1 O1_7 C1_7 C2_7 7.9(8) . . . . ?
EuA_1 O1_7 C1_7 C2_7 20.2(8) . . . . ?
EuB_1 O1_7 C1_7 C10_7 -173.2(3) . . . . ?
EuA_1 O1_7 C1_7 C10_7 -161.0(3) . . . . ?
O1_7 C1_7 C2_7 C3_7 3.4(9) . . . . ?
C10_7 C1_7 C2_7 C3_7 -175.3(5) . . . . ?
C1_7 C2_7 C3_7 O3_7 0.9(9) . . . . ?
C1_7 C2_7 C3_7 C4_7 179.7(5) . . . . ?
C2_7 C3_7 O3_7 EuB_1 -16.8(8) . . . . ?
C4_7 C3_7 O3_7 EuB_1 164.5(3) . . . . ?
C2_7 C3_7 O3_7 EuA_1 -26.4(7) . . . . ?
C4_7 C3_7 O3_7 EuA_1 154.8(3) . . . . ?
O3_7 C3_7 C4_7 C5_7 167.5(3) . . . . ?
C2_7 C3_7 C4_7 C5_7 -11.3(6) . . . . ?
O3_7 C3_7 C4_7 C9_7 -14.9(5) . . . . ?
C2_7 C3_7 C4_7 C9_7 166.2(4) . . . . ?
C9_7 C4_7 C5_7 C6_7 0.0 . . . . ?
C3_7 C4_7 C5_7 C6_7 177.5(4) . . . . ?
C4_7 C5_7 C6_7 C7_7 0.0 . . . . ?
C5_7 C6_7 C7_7 C8_7 0.0 . . . . ?
C6_7 C7_7 C8_7 C9_7 0.0 . . . . ?
C7_7 C8_7 C9_7 C4_7 0.0 . . . . ?
C5_7 C4_7 C9_7 C8_7 0.0 . . . . ?
C3_7 C4_7 C9_7 C8_7 -177.6(4) . . . . ?
O1_7 C1_7 C10_7 C11_7 -168.4(4) . . . . ?
C2_7 C1_7 C10_7 C11_7 10.4(7) . . . . ?
O1_7 C1_7 C10_7 C15_7 8.4(6) . . . . ?
C2_7 C1_7 C10_7 C15_7 -172.7(4) . . . . ?
C15_7 C10_7 C11_7 C12_7 0.0 . . . . ?
C1_7 C10_7 C11_7 C12_7 176.8(5) . . . . ?
C10_7 C11_7 C12_7 C13_7 0.0 . . . . ?
C11_7 C12_7 C13_7 C14_7 0.0 . . . . ?
C12_7 C13_7 C14_7 C15_7 0.0 . . . . ?
C13_7 C14_7 C15_7 C10_7 0.0 . . . . ?
C11_7 C10_7 C15_7 C14_7 0.0 . . . . ?
C1_7 C10_7 C15_7 C14_7 -177.0(4) . . . . ?
EuB_1 O1_8 C1_8 C2_8 28.3(7) . . . . ?
EuA_1 O1_8 C1_8 C2_8 36.8(7) . . . . ?
EuB_1 O1_8 C1_8 C10_8 -150.3(3) . . . . ?
EuA_1 O1_8 C1_8 C10_8 -141.8(3) . . . . ?
O1_8 C1_8 C2_8 C3_8 -10.5(7) . . . . ?
C10_8 C1_8 C2_8 C3_8 168.0(4) . . . . ?
EuB_1 C1_8 C2_8 C3_8 2.9(5) . . . . ?
C1_8 C2_8 C3_8 O3_8 -4.7(8) . . . . ?
C1_8 C2_8 C3_8 C4_8 178.4(4) . . . . ?
C1_8 C2_8 C3_8 EuB_1 -2.9(5) . . . . ?
C2_8 C3_8 O3_8 EuB_1 3.6(7) . . . . ?
C4_8 C3_8 O3_8 EuB_1 -179.5(3) . . . . ?
C2_8 C3_8 O3_8 EuA_1 -5.4(7) . . . . ?
C4_8 C3_8 O3_8 EuA_1 171.6(3) . . . . ?
O3_8 C3_8 C4_8 C5_8 141.7(3) . . . . ?
C2_8 C3_8 C4_8 C5_8 -41.1(5) . . . . ?
EuB_1 C3_8 C4_8 C5_8 141.2(4) . . . . ?
O3_8 C3_8 C4_8 C9_8 -39.9(5) . . . . ?
C2_8 C3_8 C4_8 C9_8 137.3(4) . . . . ?
EuB_1 C3_8 C4_8 C9_8 -40.4(6) . . . . ?
C9_8 C4_8 C5_8 C6_8 0.0 . . . . ?
C3_8 C4_8 C5_8 C6_8 178.4(3) . . . . ?
C4_8 C5_8 C6_8 C7_8 0.0 . . . . ?
C5_8 C6_8 C7_8 C8_8 0.0 . . . . ?
C6_8 C7_8 C8_8 C9_8 0.0 . . . . ?
C7_8 C8_8 C9_8 C4_8 0.0 . . . . ?
C5_8 C4_8 C9_8 C8_8 0.0 . . . . ?
C3_8 C4_8 C9_8 C8_8 -178.4(3) . . . . ?
O1_8 C1_8 C10_8 C11_8 -176.1(3) . . . . ?
C2_8 C1_8 C10_8 C11_8 5.2(5) . . . . ?
EuB_1 C1_8 C10_8 C11_8 161.8(3) . . . . ?
O1_8 C1_8 C10_8 C15_8 9.7(5) . . . . ?
C2_8 C1_8 C10_8 C15_8 -169.0(3) . . . . ?
EuB_1 C1_8 C10_8 C15_8 -12.4(5) . . . . ?
C15_8 C10_8 C11_8 C12_8 0.0 . . . . ?
C1_8 C10_8 C11_8 C12_8 -174.1(3) . . . . ?
C10_8 C11_8 C12_8 C13_8 0.0 . . . . ?
C11_8 C12_8 C13_8 C14_8 0.0 . . . . ?
C12_8 C13_8 C14_8 C15_8 0.0 . . . . ?
C13_8 C14_8 C15_8 C10_8 0.0 . . . . ?
C11_8 C10_8 C15_8 C14_8 0.0 . . . . ?
C1_8 C10_8 C15_8 C14_8 174.4(3) . . . . ?
EuA_2 O1A_9 C1A_9 C2A_9 -27.2(7) . . . . ?
EuA_2 O1A_9 C1A_9 C10A_9 155.1(3) . . . . ?
O1A_9 C1A_9 C2A_9 C3A_9 -0.7(9) . . . . ?
C10A_9 C1A_9 C2A_9 C3A_9 177.0(5) . . . . ?
C1A_9 C2A_9 C3A_9 O3A_9 -2.8(10) . . . . ?
C1A_9 C2A_9 C3A_9 C4A_9 177.8(5) . . . . ?
C2A_9 C3A_9 O3A_9 EuA_2 35.4(9) . . . . ?
C4A_9 C3A_9 O3A_9 EuA_2 -145.2(4) . . . . ?
O3A_9 C3A_9 C4A_9 C5A_9 158.6(5) . . . . ?
C2A_9 C3A_9 C4A_9 C5A_9 -22.0(7) . . . . ?
O3A_9 C3A_9 C4A_9 C9A_9 -20.2(7) . . . . ?
C2A_9 C3A_9 C4A_9 C9A_9 159.2(5) . . . . ?
C9A_9 C4A_9 C5A_9 C6A_9 0.0 . . . . ?
C3A_9 C4A_9 C5A_9 C6A_9 -178.7(5) . . . . ?
C4A_9 C5A_9 C6A_9 C7A_9 0.0 . . . . ?
C5A_9 C6A_9 C7A_9 C8A_9 0.0 . . . . ?
C6A_9 C7A_9 C8A_9 C9A_9 0.0 . . . . ?
C7A_9 C8A_9 C9A_9 C4A_9 0.0 . . . . ?
C5A_9 C4A_9 C9A_9 C8A_9 0.0 . . . . ?
C3A_9 C4A_9 C9A_9 C8A_9 178.8(4) . . . . ?
O1A_9 C1A_9 C10A_9 C11A_9 -18.1(6) . . . . ?
C2A_9 C1A_9 C10A_9 C11A_9 164.0(4) . . . . ?
O1A_9 C1A_9 C10A_9 C15A_9 161.0(4) . . . . ?
C2A_9 C1A_9 C10A_9 C15A_9 -16.9(6) . . . . ?
C15A_9 C10A_9 C11A_9 C12A_9 0.0 . . . . ?
C1A_9 C10A_9 C11A_9 C12A_9 179.1(4) . . . . ?
C10A_9 C11A_9 C12A_9 C13A_9 0.0 . . . . ?
C11A_9 C12A_9 C13A_9 C14A_9 0.0 . . . . ?
C12A_9 C13A_9 C14A_9 C15A_9 0.0 . . . . ?
C13A_9 C14A_9 C15A_9 C10A_9 0.0 . . . . ?
C11A_9 C10A_9 C15A_9 C14A_9 0.0 . . . . ?
C1A_9 C10A_9 C15A_9 C14A_9 -179.1(4) . . . . ?
EuB_2 O1B_9 C1B_9 C2B_9 -29(2) . . . . ?
EuB_2 O1B_9 C1B_9 C10B_9 142.0(17) . . . . ?
O1B_9 C1B_9 C2B_9 C3B_9 0(2) . . . . ?
C10B_9 C1B_9 C2B_9 C3B_9 -172(3) . . . . ?
C1B_9 C2B_9 C3B_9 O3B_9 4(5) . . . . ?
C1B_9 C2B_9 C3B_9 C4B_9 175.0(18) . . . . ?
C2B_9 C3B_9 O3B_9 EuB_2 25(5) . . . . ?
C4B_9 C3B_9 O3B_9 EuB_2 -146(2) . . . . ?
O3B_9 C3B_9 C4B_9 C5B_9 153(3) . . . . ?
C2B_9 C3B_9 C4B_9 C5B_9 -19(3) . . . . ?
O3B_9 C3B_9 C4B_9 C9B_9 -27(3) . . . . ?
C2B_9 C3B_9 C4B_9 C9B_9 162(3) . . . . ?
C9B_9 C4B_9 C5B_9 C6B_9 0.0 . . . . ?
C3B_9 C4B_9 C5B_9 C6B_9 -179.7(9) . . . . ?
C4B_9 C5B_9 C6B_9 C7B_9 0.0 . . . . ?
C5B_9 C6B_9 C7B_9 C8B_9 0.0 . . . . ?
C6B_9 C7B_9 C8B_9 C9B_9 0.0 . . . . ?
C7B_9 C8B_9 C9B_9 C4B_9 0.0 . . . . ?
C5B_9 C4B_9 C9B_9 C8B_9 0.0 . . . . ?
C3B_9 C4B_9 C9B_9 C8B_9 179.8(8) . . . . ?
O1B_9 C1B_9 C10B_9 C11B_9 25(2) . . . . ?
C2B_9 C1B_9 C10B_9 C11B_9 -162.8(17) . . . . ?
O1B_9 C1B_9 C10B_9 C15B_9 -154(2) . . . . ?
C2B_9 C1B_9 C10B_9 C15B_9 17.6(18) . . . . ?
C15B_9 C10B_9 C11B_9 C12B_9 0.0 . . . . ?
C1B_9 C10B_9 C11B_9 C12B_9 -179.6(8) . . . . ?
C10B_9 C11B_9 C12B_9 C13B_9 0.0 . . . . ?
C11B_9 C12B_9 C13B_9 C14B_9 0.0 . . . . ?
C12B_9 C13B_9 C14B_9 C15B_9 0.0 . . . . ?
C13B_9 C14B_9 C15B_9 C10B_9 0.0 . . . . ?
C11B_9 C10B_9 C15B_9 C14B_9 0.0 . . . . ?
C1B_9 C10B_9 C15B_9 C14B_9 179.6(8) . . . . ?
EuA_2 O1A_10 C1A_10 C2A_10 25.0(7) . . . . ?
EuA_2 O1A_10 C1A_10 C10A_10 -155.6(4) . . . . ?
O1A_10 C1A_10 C2A_10 C3A_10 2.4(8) . . . . ?
C10A_10 C1A_10 C2A_10 C3A_10 -176.9(5) . . . . ?
C1A_10 C2A_10 C3A_10 O3A_10 0.5(9) . . . . ?
C1A_10 C2A_10 C3A_10 C4A_10 -179.2(5) . . . . ?
C2A_10 C3A_10 O3A_10 EuA_2 -28.6(8) . . . . ?
C4A_10 C3A_10 O3A_10 EuA_2 151.2(3) . . . . ?
O3A_10 C3A_10 C4A_10 C5A_10 178.1(4) . . . . ?
C2A_10 C3A_10 C4A_10 C5A_10 -2.2(7) . . . . ?
O3A_10 C3A_10 C4A_10 C9A_10 -1.4(6) . . . . ?
C2A_10 C3A_10 C4A_10 C9A_10 178.4(5) . . . . ?
C9A_10 C4A_10 C5A_10 C6A_10 0.0 . . . . ?
C3A_10 C4A_10 C5A_10 C6A_10 -179.5(4) . . . . ?
C4A_10 C5A_10 C6A_10 C7A_10 0.0 . . . . ?
C5A_10 C6A_10 C7A_10 C8A_10 0.0 . . . . ?
C6A_10 C7A_10 C8A_10 C9A_10 0.0 . . . . ?
C7A_10 C8A_10 C9A_10 C4A_10 0.0 . . . . ?
C5A_10 C4A_10 C9A_10 C8A_10 0.0 . . . . ?
C3A_10 C4A_10 C9A_10 C8A_10 179.5(4) . . . . ?
O1A_10 C1A_10 C10A_10 C11A_10 163.7(4) . . . . ?
C2A_10 C1A_10 C10A_10 C11A_10 -17.0(6) . . . . ?
O1A_10 C1A_10 C10A_10 C15A_10 -14.9(5) . . . . ?
C2A_10 C1A_10 C10A_10 C15A_10 164.5(4) . . . . ?
C15A_10 C10A_10 C11A_10 C12A_10 0.0 . . . . ?
C1A_10 C10A_10 C11A_10 C12A_10 -178.5(4) . . . . ?
C10A_10 C11A_10 C12A_10 C13A_10 0.0 . . . . ?
C11A_10 C12A_10 C13A_10 C14A_10 0.0 . . . . ?
C12A_10 C13A_10 C14A_10 C15A_10 0.0 . . . . ?
C13A_10 C14A_10 C15A_10 C10A_10 0.0 . . . . ?
C11A_10 C10A_10 C15A_10 C14A_10 0.0 . . . . ?
C1A_10 C10A_10 C15A_10 C14A_10 178.6(4) . . . . ?
EuB_2 O1B_10 C1B_10 C2B_10 22(3) . . . . ?
EuB_2 O1B_10 C1B_10 C10B_10 -157(2) . . . . ?
O1B_10 C1B_10 C2B_10 C3B_10 2.0(19) . . . . ?
C10B_10 C1B_10 C2B_10 C3B_10 -179(2) . . . . ?
C1B_10 C2B_10 C3B_10 O3B_10 -1(4) . . . . ?
C1B_10 C2B_10 C3B_10 C4B_10 -174.9(15) . . . . ?
C2B_10 C3B_10 O3B_10 EuB_2 -21(5) . . . . ?
C4B_10 C3B_10 O3B_10 EuB_2 153(2) . . . . ?
O3B_10 C3B_10 C4B_10 C5B_10 -180(3) . . . . ?
C2B_10 C3B_10 C4B_10 C5B_10 -6(3) . . . . ?
O3B_10 C3B_10 C4B_10 C9B_10 0(3) . . . . ?
C2B_10 C3B_10 C4B_10 C9B_10 174(3) . . . . ?
C9B_10 C4B_10 C5B_10 C6B_10 0.0 . . . . ?
C3B_10 C4B_10 C5B_10 C6B_10 179.6(8) . . . . ?
C4B_10 C5B_10 C6B_10 C7B_10 0.0 . . . . ?
C5B_10 C6B_10 C7B_10 C8B_10 0.0 . . . . ?
C6B_10 C7B_10 C8B_10 C9B_10 0.0 . . . . ?
C7B_10 C8B_10 C9B_10 C4B_10 0.0 . . . . ?
C5B_10 C4B_10 C9B_10 C8B_10 0.0 . . . . ?
C3B_10 C4B_10 C9B_10 C8B_10 -179.6(8) . . . . ?
O1B_10 C1B_10 C10B_10 C11B_10 -174(2) . . . . ?
C2B_10 C1B_10 C10B_10 C11B_10 6.8(18) . . . . ?
O1B_10 C1B_10 C10B_10 C15B_10 6(2) . . . . ?
C2B_10 C1B_10 C10B_10 C15B_10 -172.8(17) . . . . ?
C15B_10 C10B_10 C11B_10 C12B_10 0.0 . . . . ?
C1B_10 C10B_10 C11B_10 C12B_10 -179.7(9) . . . . ?
C10B_10 C11B_10 C12B_10 C13B_10 0.0 . . . . ?
C11B_10 C12B_10 C13B_10 C14B_10 0.0 . . . . ?
C12B_10 C13B_10 C14B_10 C15B_10 0.0 . . . . ?
C13B_10 C14B_10 C15B_10 C10B_10 0.0 . . . . ?
C11B_10 C10B_10 C15B_10 C14B_10 0.0 . . . . ?
C1B_10 C10B_10 C15B_10 C14B_10 179.7(8) . . . . ?
EuA_2 O1A_11 C1A_11 C2A_11 43.3(7) . . . . ?
EuA_2 O1A_11 C1A_11 C10A_11 -132.2(4) . . . . ?
O1A_11 C1A_11 C2A_11 C3A_11 -6.6(8) . . . . ?
C10A_11 C1A_11 C2A_11 C3A_11 168.7(5) . . . . ?
C1A_11 C2A_11 C3A_11 O3A_11 -10.0(9) . . . . ?
C1A_11 C2A_11 C3A_11 C4A_11 168.7(5) . . . . ?
C2A_11 C3A_11 O3A_11 EuA_2 -11.9(9) . . . . ?
C4A_11 C3A_11 O3A_11 EuA_2 169.3(4) . . . . ?
O3A_11 C3A_11 C4A_11 C5A_11 150.3(5) . . . . ?
C2A_11 C3A_11 C4A_11 C5A_11 -28.5(7) . . . . ?
O3A_11 C3A_11 C4A_11 C9A_11 -28.3(6) . . . . ?
C2A_11 C3A_11 C4A_11 C9A_11 152.9(5) . . . . ?
C9A_11 C4A_11 C5A_11 C6A_11 0.0 . . . . ?
C3A_11 C4A_11 C5A_11 C6A_11 -178.6(5) . . . . ?
C4A_11 C5A_11 C6A_11 C7A_11 0.0 . . . . ?
C5A_11 C6A_11 C7A_11 C8A_11 0.0 . . . . ?
C6A_11 C7A_11 C8A_11 C9A_11 0.0 . . . . ?
C7A_11 C8A_11 C9A_11 C4A_11 0.0 . . . . ?
C5A_11 C4A_11 C9A_11 C8A_11 0.0 . . . . ?
C3A_11 C4A_11 C9A_11 C8A_11 178.7(4) . . . . ?
O1A_11 C1A_11 C10A_11 C11A_11 176.2(4) . . . . ?
C2A_11 C1A_11 C10A_11 C11A_11 0.5(6) . . . . ?
O1A_11 C1A_11 C10A_11 C15A_11 -0.9(5) . . . . ?
C2A_11 C1A_11 C10A_11 C15A_11 -176.6(4) . . . . ?
C15A_11 C10A_11 C11A_11 C12A_11 0.0 . . . . ?
C1A_11 C10A_11 C11A_11 C12A_11 -177.1(4) . . . . ?
C10A_11 C11A_11 C12A_11 C13A_11 0.0 . . . . ?
C11A_11 C12A_11 C13A_11 C14A_11 0.0 . . . . ?
C12A_11 C13A_11 C14A_11 C15A_11 0.0 . . . . ?
C13A_11 C14A_11 C15A_11 C10A_11 0.0 . . . . ?
C11A_11 C10A_11 C15A_11 C14A_11 0.0 . . . . ?
C1A_11 C10A_11 C15A_11 C14A_11 177.2(4) . . . . ?
EuB_2 O1B_11 C1B_11 C2B_11 35(2) . . . . ?
EuB_2 O1B_11 C1B_11 C10B_11 -138.0(19) . . . . ?
O1B_11 C1B_11 C2B_11 C3B_11 -0.6(19) . . . . ?
C10B_11 C1B_11 C2B_11 C3B_11 172(2) . . . . ?
C1B_11 C2B_11 C3B_11 O3B_11 -1(4) . . . . ?
C1B_11 C2B_11 C3B_11 C4B_11 179.2(15) . . . . ?
C2B_11 C3B_11 O3B_11 EuB_2 -30(5) . . . . ?
C4B_11 C3B_11 O3B_11 EuB_2 149.1(19) . . . . ?
O3B_11 C3B_11 C4B_11 C5B_11 167(3) . . . . ?
C2B_11 C3B_11 C4B_11 C5B_11 -13(3) . . . . ?
O3B_11 C3B_11 C4B_11 C9B_11 -12(3) . . . . ?
C2B_11 C3B_11 C4B_11 C9B_11 167(2) . . . . ?
C9B_11 C4B_11 C5B_11 C6B_11 0.0 . . . . ?
C3B_11 C4B_11 C5B_11 C6B_11 -179.3(9) . . . . ?
C4B_11 C5B_11 C6B_11 C7B_11 0.0 . . . . ?
C5B_11 C6B_11 C7B_11 C8B_11 0.0 . . . . ?
C6B_11 C7B_11 C8B_11 C9B_11 0.0 . . . . ?
C7B_11 C8B_11 C9B_11 C4B_11 0.0 . . . . ?
C5B_11 C4B_11 C9B_11 C8B_11 0.0 . . . . ?
C3B_11 C4B_11 C9B_11 C8B_11 179.4(8) . . . . ?
O1B_11 C1B_11 C10B_11 C11B_11 179(2) . . . . ?
C2B_11 C1B_11 C10B_11 C11B_11 6.4(17) . . . . ?
O1B_11 C1B_11 C10B_11 C15B_11 0(2) . . . . ?
C2B_11 C1B_11 C10B_11 C15B_11 -173.0(16) . . . . ?
C15B_11 C10B_11 C11B_11 C12B_11 0.0 . . . . ?
C1B_11 C10B_11 C11B_11 C12B_11 -179.3(8) . . . . ?
C10B_11 C11B_11 C12B_11 C13B_11 0.0 . . . . ?
C11B_11 C12B_11 C13B_11 C14B_11 0.0 . . . . ?
C12B_11 C13B_11 C14B_11 C15B_11 0.0 . . . . ?
C13B_11 C14B_11 C15B_11 C10B_11 0.0 . . . . ?
C11B_11 C10B_11 C15B_11 C14B_11 0.0 . . . . ?
C1B_11 C10B_11 C15B_11 C14B_11 179.4(8) . . . . ?
EuA_2 O1A_12 C1A_12 C2A_12 35.9(7) . . . . ?
EuA_2 O1A_12 C1A_12 C10A_12 -141.0(4) . . . . ?
O1A_12 C1A_12 C2A_12 C3A_12 -7.6(8) . . . . ?
C10A_12 C1A_12 C2A_12 C3A_12 169.2(5) . . . . ?
C1A_12 C2A_12 C3A_12 O3A_12 -9.5(9) . . . . ?
C1A_12 C2A_12 C3A_12 C4A_12 171.8(5) . . . . ?
C2A_12 C3A_12 O3A_12 EuA_2 -0.1(9) . . . . ?
C4A_12 C3A_12 O3A_12 EuA_2 178.6(3) . . . . ?
O3A_12 C3A_12 C4A_12 C5A_12 -43.8(6) . . . . ?
C2A_12 C3A_12 C4A_12 C5A_12 134.9(4) . . . . ?
O3A_12 C3A_12 C4A_12 C9A_12 136.2(4) . . . . ?
C2A_12 C3A_12 C4A_12 C9A_12 -45.1(6) . . . . ?
C9A_12 C4A_12 C5A_12 C6A_12 0.0 . . . . ?
C3A_12 C4A_12 C5A_12 C6A_12 180.0(4) . . . . ?
C4A_12 C5A_12 C6A_12 C7A_12 0.0 . . . . ?
C5A_12 C6A_12 C7A_12 C8A_12 0.0 . . . . ?
C6A_12 C7A_12 C8A_12 C9A_12 0.0 . . . . ?
C7A_12 C8A_12 C9A_12 C4A_12 0.0 . . . . ?
C5A_12 C4A_12 C9A_12 C8A_12 0.0 . . . . ?
C3A_12 C4A_12 C9A_12 C8A_12 -180.0(4) . . . . ?
O1A_12 C1A_12 C10A_12 C11A_12 8.0(6) . . . . ?
C2A_12 C1A_12 C10A_12 C11A_12 -169.0(4) . . . . ?
O1A_12 C1A_12 C10A_12 C15A_12 -175.1(4) . . . . ?
C2A_12 C1A_12 C10A_12 C15A_12 7.9(6) . . . . ?
C15A_12 C10A_12 C11A_12 C12A_12 0.0 . . . . ?
C1A_12 C10A_12 C11A_12 C12A_12 177.0(4) . . . . ?
C10A_12 C11A_12 C12A_12 C13A_12 0.0 . . . . ?
C11A_12 C12A_12 C13A_12 C14A_12 0.0 . . . . ?
C12A_12 C13A_12 C14A_12 C15A_12 0.0 . . . . ?
C13A_12 C14A_12 C15A_12 C10A_12 0.0 . . . . ?
C11A_12 C10A_12 C15A_12 C14A_12 0.0 . . . . ?
C1A_12 C10A_12 C15A_12 C14A_12 -176.8(4) . . . . ?
EuB_2 O1B_12 C1B_12 C2B_12 31(3) . . . . ?
EuB_2 O1B_12 C1B_12 C10B_12 -139(2) . . . . ?
O1B_12 C1B_12 C2B_12 C3B_12 -1(2) . . . . ?
C10B_12 C1B_12 C2B_12 C3B_12 168(2) . . . . ?
C1B_12 C2B_12 C3B_12 O3B_12 -8(4) . . . . ?
C1B_12 C2B_12 C3B_12 C4B_12 176.4(18) . . . . ?
C2B_12 C3B_12 O3B_12 EuB_2 -11(5) . . . . ?
C4B_12 C3B_12 O3B_12 EuB_2 164.9(18) . . . . ?
O3B_12 C3B_12 C4B_12 C5B_12 -41(3) . . . . ?
C2B_12 C3B_12 C4B_12 C5B_12 135(3) . . . . ?
O3B_12 C3B_12 C4B_12 C9B_12 138(3) . . . . ?
C2B_12 C3B_12 C4B_12 C9B_12 -45(3) . . . . ?
C9B_12 C4B_12 C5B_12 C6B_12 0.0 . . . . ?
C3B_12 C4B_12 C5B_12 C6B_12 179.7(8) . . . . ?
C4B_12 C5B_12 C6B_12 C7B_12 0.0 . . . . ?
C5B_12 C6B_12 C7B_12 C8B_12 0.0 . . . . ?
C6B_12 C7B_12 C8B_12 C9B_12 0.0 . . . . ?
C7B_12 C8B_12 C9B_12 C4B_12 0.0 . . . . ?
C5B_12 C4B_12 C9B_12 C8B_12 0.0 . . . . ?
C3B_12 C4B_12 C9B_12 C8B_12 -179.7(8) . . . . ?
O1B_12 C1B_12 C10B_12 C11B_12 3(2) . . . . ?
C2B_12 C1B_12 C10B_12 C11B_12 -166.5(18) . . . . ?
O1B_12 C1B_12 C10B_12 C15B_12 -177(2) . . . . ?
C2B_12 C1B_12 C10B_12 C15B_12 12.6(19) . . . . ?
C15B_12 C10B_12 C11B_12 C12B_12 0.0 . . . . ?
C1B_12 C10B_12 C11B_12 C12B_12 179.1(8) . . . . ?
C10B_12 C11B_12 C12B_12 C13B_12 0.0 . . . . ?
C11B_12 C12B_12 C13B_12 C14B_12 0.0 . . . . ?
C12B_12 C13B_12 C14B_12 C15B_12 0.0 . . . . ?
C13B_12 C14B_12 C15B_12 C10B_12 0.0 . . . . ?
C11B_12 C10B_12 C15B_12 C14B_12 0.0 . . . . ?
C1B_12 C10B_12 C15B_12 C14B_12 -179.1(8) . . . . ?

_refine_diff_density_max         2.566
_refine_diff_density_min         -3.386
_refine_diff_density_rms         0.123
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Smdbm4P
_database_code_depnum_ccdc_archive 'CCDC 1051983'
_audit_update_record             
;
2015-03-03 deposited with the CCDC.
2015-07-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            '[P8,8,8,1][Sm(dbm)4]'
_chemical_melting_point          ?
_chemical_formula_moiety         'C60 H44 O8 Sm, C25 H54 P'
_chemical_formula_sum            'C85 H98 O8 P Sm'
_chemical_formula_weight         1428.95

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0024 0.0013 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0088 0.0050 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.0886 0.0796 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sm Sm -0.1913 2.9784 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

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

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

_cell_length_a                   16.169(3)
_cell_length_b                   22.341(4)
_cell_length_c                   20.962(2)
_cell_angle_alpha                90
_cell_angle_beta                 100.60(2)
_cell_angle_gamma                90
_cell_volume                     7443(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    10667
_cell_measurement_theta_min      1.176
_cell_measurement_theta_max      21.253

_exptl_crystal_description       'Thin needles'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.275
_exptl_crystal_F_000             2996
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    0.638
_shelx_estimated_absorpt_T_min   0.883
_shelx_estimated_absorpt_T_max   0.969
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details   
;
        Parkin S,Moezzi B & Hope H, (1995) J. Appl. Cryst. 28, 53-56
        Cubic fit to sin(theta)/lambda - 24 parameters
;
_exptl_absorpt_correction_T_min  0.250
_exptl_absorpt_correction_T_max  2.226

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.6525
_diffrn_radiation_type           Synchrotron
_diffrn_source                   'Elettra Synchrotron - XRD1 BL'
_diffrn_measurement_device_type  
;
'Huber 4-circles Kappa Goniometer, Pilatus 2M detector'
;
_diffrn_measurement_method       'Rotating crystal'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            10324
_diffrn_reflns_av_unetI/netI     0.0606
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.176
_diffrn_reflns_theta_max         21.253
_diffrn_reflns_theta_full        21.253
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measured_fraction_theta_full 0.966
_diffrn_reflns_Laue_measured_fraction_max 0.966
_diffrn_reflns_Laue_measured_fraction_full 0.966
_diffrn_reflns_point_group_measured_fraction_max 0.966
_diffrn_reflns_point_group_measured_fraction_full 0.966
_reflns_number_total             10324
_reflns_number_gt                7707
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_decay_%        0


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

_computing_data_collection       'Elettra XRD1 Data Collection SW'
_computing_cell_refinement       XDS
_computing_data_reduction        'XDS - CCP4'
_computing_structure_solution    Sir2011
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Ortep3 for Windows'
_computing_publication_material  enCIFer/publCIF

_refine_special_details          
;
 Restrain on bond lenghts and angles (DFIX and DANG) have been 
 used. Soft thermal motion restrains (SIMU) have been applied to all 
 non-hydrogen atoms. Empirical absorption correction has been applied 
as implemented in the XABS2 program. Anisotropic thermal motion 
modelling was then applied to atoms with full occupancy. In the final 
refinement, all non-hydrogen atoms were treated anisotropically and 
the hydrogen atoms were included at calculated positions with isotropic 
Ufactors = 1.2 Ueq and Ufactors = 1.5 Ueq for methyl groups.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1298P)²+39.5078P] 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         10324
_refine_ls_number_parameters     763
_refine_ls_number_restraints     1055
_refine_ls_R_factor_all          0.1197
_refine_ls_R_factor_gt           0.0879
_refine_ls_wR_factor_ref         0.2559
_refine_ls_wR_factor_gt          0.2248
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_restrained_S_all      1.020
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sm_1 Sm 0.88461(3) 0.24294(2) 0.86220(2) 0.0559(2) Uani 1 1 d . U . . .
P_2 P 0.85290(19) 0.25005(12) 0.60906(14) 0.0665(7) Uani 1 1 d D U . . .
CME_2 C 0.9081(7) 0.3127(4) 0.6506(5) 0.072(3) Uani 1 1 d D U . . .
HME1_2 H 0.9302 0.3378 0.6193 0.108 Uiso 1 1 calc R U . . .
HME2_2 H 0.9548 0.2981 0.6835 0.108 Uiso 1 1 calc R U . . .
HME3_2 H 0.8695 0.3362 0.6715 0.108 Uiso 1 1 calc R U . . .
C1A_2 C 0.9210(6) 0.2128(5) 0.5626(4) 0.066(2) Uani 1 1 d D U . . .
H1A1_2 H 0.8926 0.1762 0.5429 0.079 Uiso 1 1 calc R U . . .
H1A2_2 H 0.9303 0.2395 0.5269 0.079 Uiso 1 1 calc R U . . .
C2A_2 C 1.0062(6) 0.1955(6) 0.6029(6) 0.087(3) Uani 1 1 d D U . . .
H2A1_2 H 0.9979 0.1671 0.6374 0.105 Uiso 1 1 calc R U . . .
H2A2_2 H 1.0346 0.2316 0.6238 0.105 Uiso 1 1 calc R U . . .
C3A_2 C 1.0625(7) 0.1658(6) 0.5582(6) 0.088(3) Uani 1 1 d D U . . .
H3A1_2 H 1.0310 0.1327 0.5333 0.105 Uiso 1 1 calc R U . . .
H3A2_2 H 1.0759 0.1958 0.5268 0.105 Uiso 1 1 calc R U . . .
C4A_2 C 1.1435(8) 0.1416(8) 0.5979(7) 0.122(5) Uani 1 1 d D U . . .
H4A1_2 H 1.1296 0.1134 0.6308 0.146 Uiso 1 1 calc R U . . .
H4A2_2 H 1.1759 0.1752 0.6212 0.146 Uiso 1 1 calc R U . . .
C5A_2 C 1.1986(9) 0.1093(7) 0.5560(8) 0.126(5) Uani 1 1 d D U . . .
H5A1_2 H 1.2461 0.0894 0.5848 0.151 Uiso 1 1 calc R U . . .
H5A2_2 H 1.1648 0.0780 0.5299 0.151 Uiso 1 1 calc R U . . .
C6A_2 C 1.2330(9) 0.1513(7) 0.5113(9) 0.131(5) Uani 1 1 d D U . . .
H6A1_2 H 1.2575 0.1869 0.5359 0.158 Uiso 1 1 calc R U . . .
H6A2_2 H 1.1868 0.1650 0.4766 0.158 Uiso 1 1 calc R U . . .
C7A_2 C 1.3022(11) 0.1191(8) 0.4804(10) 0.151(6) Uani 1 1 d D U . . .
H7A1_2 H 1.3497 0.1072 0.5149 0.181 Uiso 1 1 calc R U . . .
H7A2_2 H 1.2784 0.0824 0.4575 0.181 Uiso 1 1 calc R U . . .
C8A_2 C 1.3338(12) 0.1614(8) 0.4324(9) 0.144(6) Uani 1 1 d D U . . .
H8A1_2 H 1.2879 0.1699 0.3960 0.216 Uiso 1 1 calc R U . . .
H8A2_2 H 1.3805 0.1425 0.4160 0.216 Uiso 1 1 calc R U . . .
H8A3_2 H 1.3532 0.1989 0.4544 0.216 Uiso 1 1 calc R U . . .
C1B_2 C 0.7615(6) 0.2749(5) 0.5545(5) 0.075(3) Uani 1 1 d D U . . .
H1B1_2 H 0.7791 0.2966 0.5181 0.090 Uiso 1 1 calc R U . . .
H1B2_2 H 0.7283 0.2396 0.5364 0.090 Uiso 1 1 calc R U . . .
C2B_2 C 0.7058(7) 0.3157(6) 0.5865(6) 0.092(3) Uani 1 1 d D U . . .
H2B1_2 H 0.7353 0.3541 0.5977 0.110 Uiso 1 1 calc R U . . .
H2B2_2 H 0.6964 0.2970 0.6274 0.110 Uiso 1 1 calc R U . . .
C3B_2 C 0.6203(8) 0.3281(8) 0.5430(8) 0.128(5) Uani 1 1 d D U . . .
H3B1_2 H 0.5967 0.3656 0.5574 0.154 Uiso 1 1 calc R U . . .
H3B2_2 H 0.6286 0.3341 0.4978 0.154 Uiso 1 1 calc R U . . .
C4B_2 C 0.5578(11) 0.2778(10) 0.5444(9) 0.164(7) Uani 1 1 d D U . . .
H4B1_2 H 0.5797 0.2414 0.5264 0.196 Uiso 1 1 calc R U . . .
H4B2_2 H 0.5044 0.2886 0.5153 0.196 Uiso 1 1 calc R U . . .
C5B_2 C 0.5382(13) 0.2624(10) 0.6116(9) 0.165(7) Uani 1 1 d D U . . .
H5B1_2 H 0.5072 0.2960 0.6272 0.198 Uiso 1 1 calc R U . . .
H5B2_2 H 0.5914 0.2566 0.6429 0.198 Uiso 1 1 calc R U . . .
C6B_2 C 0.4850(14) 0.2052(10) 0.6078(10) 0.188(8) Uani 1 1 d D U . . .
H6B1_2 H 0.4304 0.2123 0.5787 0.225 Uiso 1 1 calc R U . . .
H6B2_2 H 0.5143 0.1727 0.5887 0.225 Uiso 1 1 calc R U . . .
C7B_2 C 0.4692(13) 0.1853(10) 0.6736(10) 0.175(8) Uani 1 1 d D U . . .
H7B1_2 H 0.4356 0.2161 0.6912 0.209 Uiso 1 1 calc R U . . .
H7B2_2 H 0.5237 0.1813 0.7039 0.209 Uiso 1 1 calc R U . . .
C8B_2 C 0.4218(18) 0.1247(11) 0.6695(15) 0.239(13) Uani 1 1 d D U . . .
H8B1_2 H 0.4127 0.1132 0.7128 0.359 Uiso 1 1 calc R U . . .
H8B2_2 H 0.3674 0.1286 0.6402 0.359 Uiso 1 1 calc R U . . .
H8B3_2 H 0.4555 0.0938 0.6528 0.359 Uiso 1 1 calc R U . . .
C1C_2 C 0.8217(7) 0.2008(5) 0.6678(5) 0.074(3) Uani 1 1 d D U . . .
H1C1_2 H 0.8724 0.1804 0.6917 0.088 Uiso 1 1 calc R U . . .
H1C2_2 H 0.7977 0.2251 0.6994 0.088 Uiso 1 1 calc R U . . .
C2C_2 C 0.7571(7) 0.1532(5) 0.6392(5) 0.079(3) Uani 1 1 d D U . . .
H2C1_2 H 0.7033 0.1730 0.6204 0.094 Uiso 1 1 calc R U . . .
H2C2_2 H 0.7776 0.1317 0.6038 0.094 Uiso 1 1 calc R U . . .
C3C_2 C 0.7423(8) 0.1086(5) 0.6907(6) 0.085(3) Uani 1 1 d D U . . .
H3C1_2 H 0.7288 0.1308 0.7284 0.102 Uiso 1 1 calc R U . . .
H3C2_2 H 0.7947 0.0858 0.7057 0.102 Uiso 1 1 calc R U . . .
C4C_2 C 0.6713(9) 0.0649(6) 0.6663(7) 0.112(4) Uani 1 1 d D U . . .
H4C1_2 H 0.6824 0.0452 0.6264 0.134 Uiso 1 1 calc R U . . .
H4C2_2 H 0.6179 0.0874 0.6548 0.134 Uiso 1 1 calc R U . . .
C5C_2 C 0.6611(12) 0.0166(7) 0.7165(9) 0.148(6) Uani 1 1 d D U . . .
H5C1_2 H 0.7139 -0.0066 0.7277 0.177 Uiso 1 1 calc R U . . .
H5C2_2 H 0.6500 0.0359 0.7566 0.177 Uiso 1 1 calc R U . . .
C6C_2 C 0.5890(12) -0.0252(8) 0.6899(10) 0.173(7) Uani 1 1 d D U . . .
H6C1_2 H 0.5948 -0.0360 0.6451 0.208 Uiso 1 1 calc R U . . .
H6C2_2 H 0.5362 -0.0021 0.6865 0.208 Uiso 1 1 calc R U . . .
C7C_2 C 0.5775(17) -0.0835(9) 0.7257(14) 0.207(10) Uani 1 1 d D U . . .
H7C1_2 H 0.5186 -0.0975 0.7137 0.249 Uiso 1 1 calc R U . . .
H7C2_2 H 0.6149 -0.1149 0.7135 0.249 Uiso 1 1 calc R U . . .
C8C_2 C 0.599(2) -0.0719(13) 0.7977(14) 0.270(16) Uani 1 1 d D U . . .
H8C1_2 H 0.6430 -0.0414 0.8066 0.405 Uiso 1 1 calc R U . . .
H8C2_2 H 0.6190 -0.1090 0.8203 0.405 Uiso 1 1 calc R U . . .
H8C3_2 H 0.5486 -0.0579 0.8131 0.405 Uiso 1 1 calc R U . . .
O1_3 O 0.8672(4) 0.1753(3) 0.9478(3) 0.0606(15) Uani 1 1 d D U . . .
C1_3 C 0.9109(5) 0.1350(3) 0.9799(4) 0.058(2) Uani 1 1 d D U . . .
C2_3 C 0.9993(5) 0.1358(4) 0.9944(4) 0.061(2) Uani 1 1 d D U . . .
H2_3 H 1.0278 0.1050 1.0210 0.073 Uiso 1 1 calc R U . . .
C3_3 C 1.0469(5) 0.1800(4) 0.9711(4) 0.060(2) Uani 1 1 d D U . . .
O3_3 O 1.0194(4) 0.2193(3) 0.9283(3) 0.0637(15) Uani 1 1 d D U . . .
C4_3 C 1.1413(3) 0.1791(3) 0.9936(3) 0.071(2) Uani 1 1 d DG U . . .
C5_3 C 1.1758(4) 0.1675(4) 1.0582(3) 0.081(3) Uani 1 1 d DG U . . .
H5_3 H 1.1400 0.1599 1.0885 0.098 Uiso 1 1 calc R U . . .
C6_3 C 1.2626(5) 0.1671(4) 1.0784(3) 0.103(4) Uani 1 1 d DG U . . .
H6_3 H 1.2862 0.1591 1.1225 0.124 Uiso 1 1 calc R U . . .
C7_3 C 1.3150(3) 0.1782(4) 1.0340(5) 0.110(4) Uani 1 1 d DG U . . .
H7_3 H 1.3743 0.1779 1.0478 0.132 Uiso 1 1 calc R U . . .
C8_3 C 1.2804(4) 0.1899(4) 0.9694(4) 0.106(4) Uani 1 1 d DG U . . .
H8_3 H 1.3162 0.1975 0.9391 0.127 Uiso 1 1 calc R U . . .
C9_3 C 1.1936(5) 0.1903(4) 0.9492(3) 0.089(3) Uani 1 1 d DG U . . .
H9_3 H 1.1700 0.1982 0.9051 0.107 Uiso 1 1 calc R U . . .
C10_3 C 0.8648(4) 0.0808(2) 0.9977(3) 0.060(2) Uani 1 1 d DG U . . .
C11_3 C 0.7803(4) 0.0760(3) 0.9696(3) 0.071(2) Uani 1 1 d DG U . . .
H11_3 H 0.7538 0.1068 0.9420 0.085 Uiso 1 1 calc R U . . .
C12_3 C 0.7345(3) 0.0259(3) 0.9818(4) 0.089(3) Uani 1 1 d DG U . . .
H12_3 H 0.6767 0.0226 0.9625 0.106 Uiso 1 1 calc R U . . .
C13_3 C 0.7732(5) -0.0192(3) 1.0221(4) 0.091(3) Uani 1 1 d DG U . . .
H13_3 H 0.7419 -0.0534 1.0305 0.109 Uiso 1 1 calc R U . . .
C14_3 C 0.8578(5) -0.0144(3) 1.0503(3) 0.086(3) Uani 1 1 d DG U . . .
H14_3 H 0.8843 -0.0453 1.0779 0.103 Uiso 1 1 calc R U . . .
C15_3 C 0.9036(3) 0.0356(3) 1.0381(3) 0.072(2) Uani 1 1 d DG U . . .
H15_3 H 0.9614 0.0389 1.0573 0.086 Uiso 1 1 calc R U . . .
O1_4 O 0.9828(4) 0.2405(3) 0.7889(3) 0.0630(16) Uani 1 1 d D U . . .
C1_4 C 1.0385(5) 0.2001(4) 0.7840(4) 0.065(2) Uani 1 1 d D U . . .
C2_4 C 1.0275(6) 0.1392(4) 0.7907(4) 0.063(2) Uani 1 1 d D U . . .
H2_4 H 1.0719 0.1132 0.7847 0.076 Uiso 1 1 calc R U . . .
C3_4 C 0.9543(5) 0.1139(4) 0.8057(4) 0.055(2) Uani 1 1 d D U . . .
O3_4 O 0.8940(4) 0.1439(3) 0.8211(3) 0.0580(14) Uani 1 1 d D U . . .
C4_4 C 0.9437(4) 0.04629(19) 0.8073(3) 0.062(2) Uani 1 1 d DG U . . .
C5_4 C 0.9916(4) 0.0071(3) 0.7776(3) 0.076(3) Uani 1 1 d DG U . . .
H5_4 H 1.0323 0.0223 0.7544 0.091 Uiso 1 1 calc R U . . .
C6_4 C 0.9800(5) -0.0543(2) 0.7818(4) 0.088(3) Uani 1 1 d DG U . . .
H6_4 H 1.0127 -0.0811 0.7615 0.106 Uiso 1 1 calc R U . . .
C7_4 C 0.9205(5) -0.07655(19) 0.8158(4) 0.082(3) Uani 1 1 d DG U . . .
H7_4 H 0.9125 -0.1185 0.8187 0.098 Uiso 1 1 calc R U . . .
C8_4 C 0.8726(4) -0.0374(3) 0.8455(3) 0.072(3) Uani 1 1 d DG U . . .
H8_4 H 0.8319 -0.0526 0.8687 0.087 Uiso 1 1 calc R U . . .
C9_4 C 0.8842(4) 0.0240(2) 0.8413(3) 0.061(2) Uani 1 1 d DG U . . .
H9_4 H 0.8515 0.0508 0.8616 0.073 Uiso 1 1 calc R U . . .
C10_4 C 1.1227(4) 0.2230(3) 0.7731(4) 0.071(2) Uani 1 1 d DG U . . .
C11_4 C 1.1876(5) 0.1851(3) 0.7639(4) 0.091(3) Uani 1 1 d DG U . . .
H11_4 H 1.1799 0.1430 0.7641 0.110 Uiso 1 1 calc R U . . .
C12_4 C 1.2638(4) 0.2089(4) 0.7542(6) 0.116(4) Uani 1 1 d DG U . . .
H12_4 H 1.3082 0.1830 0.7479 0.139 Uiso 1 1 calc R U . . .
C13_4 C 1.2750(4) 0.2706(4) 0.7538(6) 0.116(5) Uani 1 1 d DG U . . .
H13_4 H 1.3271 0.2868 0.7473 0.139 Uiso 1 1 calc R U . . .
C14_4 C 1.2101(5) 0.3085(3) 0.7631(5) 0.118(5) Uani 1 1 d DG U . . .
H14_4 H 1.2177 0.3506 0.7628 0.142 Uiso 1 1 calc R U . . .
C15_4 C 1.1339(4) 0.2847(3) 0.7727(5) 0.099(4) Uani 1 1 d DG U . . .
H15_4 H 1.0895 0.3106 0.7791 0.118 Uiso 1 1 calc R U . . .
O1_5 O 0.9550(4) 0.3329(3) 0.8921(4) 0.0747(18) Uani 1 1 d D U . . .
C1_5 C 0.9381(6) 0.3849(4) 0.9059(4) 0.074(3) Uani 1 1 d D U . . .
C2_5 C 0.8616(6) 0.4014(5) 0.9229(5) 0.085(3) Uani 1 1 d D U . . .
H2_5 H 0.8528 0.4425 0.9311 0.103 Uiso 1 1 calc R U . . .
C3_5 C 0.7971(6) 0.3608(4) 0.9287(5) 0.070(2) Uani 1 1 d D U . . .
O3_5 O 0.8009(4) 0.3037(3) 0.9223(3) 0.0695(17) Uani 1 1 d D U . . .
C4_5 C 0.7160(4) 0.3835(3) 0.9453(4) 0.078(3) Uani 1 1 d DG U . . .
C5_5 C 0.7049(5) 0.4424(3) 0.9634(5) 0.099(4) Uani 1 1 d DG U . . .
H5_5 H 0.7498 0.4703 0.9659 0.119 Uiso 1 1 calc R U . . .
C6_5 C 0.6282(5) 0.4606(3) 0.9778(5) 0.118(5) Uani 1 1 d DG U . . .
H6_5 H 0.6206 0.5009 0.9901 0.141 Uiso 1 1 calc R U . . .
C7_5 C 0.5625(4) 0.4198(4) 0.9741(5) 0.113(4) Uani 1 1 d DG U . . .
H7_5 H 0.5101 0.4322 0.9840 0.135 Uiso 1 1 calc R U . . .
C8_5 C 0.5736(4) 0.3609(4) 0.9561(5) 0.103(4) Uani 1 1 d DG U . . .
H8_5 H 0.5287 0.3331 0.9536 0.124 Uiso 1 1 calc R U . . .
C9_5 C 0.6503(5) 0.3428(3) 0.9417(4) 0.083(3) Uani 1 1 d DG U . . .
H9_5 H 0.6579 0.3025 0.9294 0.100 Uiso 1 1 calc R U . . .
C10_5 C 1.0066(5) 0.4307(3) 0.9032(4) 0.087(3) Uani 1 1 d DG U . . .
C11_5 C 0.9987(6) 0.4909(4) 0.9173(6) 0.141(6) Uani 1 1 d DG U . . .
H11_5 H 0.9485 0.5052 0.9296 0.170 Uiso 1 1 calc R U . . .
C12_5 C 1.0642(7) 0.5303(3) 0.9136(7) 0.160(7) Uani 1 1 d DG U . . .
H12_5 H 1.0588 0.5715 0.9233 0.192 Uiso 1 1 calc R U . . .
C13_5 C 1.1376(6) 0.5094(4) 0.8957(7) 0.149(6) Uani 1 1 d DG U . . .
H13_5 H 1.1824 0.5363 0.8932 0.179 Uiso 1 1 calc R U . . .
C14_5 C 1.1455(5) 0.4491(4) 0.8816(7) 0.158(7) Uani 1 1 d DG U . . .
H14_5 H 1.1957 0.4348 0.8693 0.190 Uiso 1 1 calc R U . . .
C15_5 C 1.0800(6) 0.4097(3) 0.8853(6) 0.134(5) Uani 1 1 d DG U . . .
H15_5 H 1.0854 0.3686 0.8756 0.160 Uiso 1 1 calc R U . . .
O1_6 O 0.7449(4) 0.2113(3) 0.8225(4) 0.0737(18) Uani 1 1 d D U . . .
C1_6 C 0.6774(6) 0.2413(4) 0.8081(5) 0.087(3) Uani 1 1 d D U . . .
C2_6 C 0.6716(6) 0.2991(4) 0.7831(5) 0.078(3) Uani 1 1 d D U . . .
H2_6 H 0.6174 0.3169 0.7731 0.094 Uiso 1 1 calc R U . . .
C3_6 C 0.7413(6) 0.3333(4) 0.7718(5) 0.068(2) Uani 1 1 d D U . . .
O3_6 O 0.8162(4) 0.3150(3) 0.7816(3) 0.0634(15) Uani 1 1 d D U . . .
C4_6 C 0.7279(5) 0.3967(3) 0.7476(4) 0.085(3) Uani 1 1 d DG U . A 1
C5_6 C 0.6469(5) 0.4178(5) 0.7252(8) 0.219(9) Uani 1 1 d DG U . A 1
H5_6 H 0.5999 0.3923 0.7252 0.263 Uiso 1 1 calc R U . A 1
C6_6 C 0.6346(6) 0.4763(5) 0.7028(10) 0.262(11) Uani 1 1 d DG U . A 1
H6_6 H 0.5792 0.4907 0.6875 0.314 Uiso 1 1 calc R U . A 1
C7_6 C 0.7033(7) 0.5137(4) 0.7028(8) 0.206(9) Uani 1 1 d DG U . A 1
H7_6 H 0.6949 0.5536 0.6875 0.247 Uiso 1 1 calc R U . A 1
C8_6 C 0.7843(6) 0.4926(4) 0.7252(8) 0.169(7) Uani 1 1 d DG U . A 1
H8_6 H 0.8313 0.5181 0.7251 0.203 Uiso 1 1 calc R U . A 1
C9_6 C 0.7966(4) 0.4341(4) 0.7476(6) 0.141(6) Uani 1 1 d DG U . A 1
H9_6 H 0.8520 0.4197 0.7628 0.169 Uiso 1 1 calc R U . A 1
C10_6 C 0.6017(4) 0.2098(3) 0.8269(4) 0.085(3) Uani 1 1 d DG U . B 1
C11_6 C 0.5306(5) 0.2408(3) 0.8368(5) 0.096(4) Uani 1 1 d DG U . B 1
H11_6 H 0.5282 0.2831 0.8321 0.115 Uiso 1 1 calc R U . B 1
C12_6 C 0.4630(4) 0.2100(4) 0.8535(5) 0.116(4) Uani 1 1 d DG U . B 1
H12_6 H 0.4144 0.2312 0.8602 0.139 Uiso 1 1 calc R U . B 1
C13_6 C 0.4666(5) 0.1481(4) 0.8603(5) 0.119(4) Uani 1 1 d DG U . B 1
H13_6 H 0.4204 0.1270 0.8718 0.142 Uiso 1 1 calc R U . B 1
C14_6 C 0.5377(6) 0.1171(3) 0.8505(5) 0.113(4) Uani 1 1 d DG U . B 1
H14_6 H 0.5401 0.0748 0.8552 0.136 Uiso 1 1 calc R U . B 1
C15_6 C 0.6053(4) 0.1479(3) 0.8338(5) 0.099(4) Uani 1 1 d DG U . B 1
H15_6 H 0.6539 0.1267 0.8271 0.119 Uiso 1 1 calc R U . B 1


_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
Sm_1 O1_5 2.338(7) . ?
Sm_1 O1_6 2.367(7) . ?
Sm_1 O3_4 2.389(6) . ?
Sm_1 O1_3 2.402(6) . ?
Sm_1 O1_4 2.404(6) . ?
Sm_1 O3_3 2.416(7) . ?
Sm_1 O3_5 2.426(6) . ?
Sm_1 O3_6 2.445(6) . ?
P_2 C1B_2 1.783(9) . ?
P_2 C1C_2 1.791(9) . ?
P_2 CME_2 1.796(9) . ?
P_2 C1A_2 1.802(9) . ?
CME_2 HME1_2 0.9800 . ?
CME_2 HME2_2 0.9800 . ?
CME_2 HME3_2 0.9800 . ?
C1A_2 C2A_2 1.527(12) . ?
C1A_2 H1A1_2 0.9900 . ?
C1A_2 H1A2_2 0.9900 . ?
C2A_2 C3A_2 1.569(13) . ?
C2A_2 H2A1_2 0.9900 . ?
C2A_2 H2A2_2 0.9900 . ?
C3A_2 C4A_2 1.516(13) . ?
C3A_2 H3A1_2 0.9900 . ?
C3A_2 H3A2_2 0.9900 . ?
C4A_2 C5A_2 1.542(14) . ?
C4A_2 H4A1_2 0.9900 . ?
C4A_2 H4A2_2 0.9900 . ?
C5A_2 C6A_2 1.503(15) . ?
C5A_2 H5A1_2 0.9900 . ?
C5A_2 H5A2_2 0.9900 . ?
C6A_2 C7A_2 1.568(15) . ?
C6A_2 H6A1_2 0.9900 . ?
C6A_2 H6A2_2 0.9900 . ?
C7A_2 C8A_2 1.537(15) . ?
C7A_2 H7A1_2 0.9900 . ?
C7A_2 H7A2_2 0.9900 . ?
C8A_2 H8A1_2 0.9800 . ?
C8A_2 H8A2_2 0.9800 . ?
C8A_2 H8A3_2 0.9800 . ?
C1B_2 C2B_2 1.521(12) . ?
C1B_2 H1B1_2 0.9900 . ?
C1B_2 H1B2_2 0.9900 . ?
C2B_2 C3B_2 1.536(13) . ?
C2B_2 H2B1_2 0.9900 . ?
C2B_2 H2B2_2 0.9900 . ?
C3B_2 C4B_2 1.516(16) . ?
C3B_2 H3B1_2 0.9900 . ?
C3B_2 H3B2_2 0.9900 . ?
C4B_2 C5B_2 1.539(16) . ?
C4B_2 H4B1_2 0.9900 . ?
C4B_2 H4B2_2 0.9900 . ?
C5B_2 C6B_2 1.534(17) . ?
C5B_2 H5B1_2 0.9900 . ?
C5B_2 H5B2_2 0.9900 . ?
C6B_2 C7B_2 1.515(16) . ?
C6B_2 H6B1_2 0.9900 . ?
C6B_2 H6B2_2 0.9900 . ?
C7B_2 C8B_2 1.550(17) . ?
C7B_2 H7B1_2 0.9900 . ?
C7B_2 H7B2_2 0.9900 . ?
C8B_2 H8B1_2 0.9800 . ?
C8B_2 H8B2_2 0.9800 . ?
C8B_2 H8B3_2 0.9800 . ?
C1C_2 C2C_2 1.533(12) . ?
C1C_2 H1C1_2 0.9900 . ?
C1C_2 H1C2_2 0.9900 . ?
C2C_2 C3C_2 1.520(12) . ?
C2C_2 H2C1_2 0.9900 . ?
C2C_2 H2C2_2 0.9900 . ?
C3C_2 C4C_2 1.522(13) . ?
C3C_2 H3C1_2 0.9900 . ?
C3C_2 H3C2_2 0.9900 . ?
C4C_2 C5C_2 1.537(15) . ?
C4C_2 H4C1_2 0.9900 . ?
C4C_2 H4C2_2 0.9900 . ?
C5C_2 C6C_2 1.518(16) . ?
C5C_2 H5C1_2 0.9900 . ?
C5C_2 H5C2_2 0.9900 . ?
C6C_2 C7C_2 1.531(16) . ?
C6C_2 H6C1_2 0.9900 . ?
C6C_2 H6C2_2 0.9900 . ?
C7C_2 C8C_2 1.508(18) . ?
C7C_2 H7C1_2 0.9900 . ?
C7C_2 H7C2_2 0.9900 . ?
C8C_2 H8C1_2 0.9800 . ?
C8C_2 H8C2_2 0.9800 . ?
C8C_2 H8C3_2 0.9800 . ?
O1_3 C1_3 1.259(9) . ?
C1_3 C2_3 1.406(11) . ?
C1_3 C10_3 1.505(9) . ?
C2_3 C3_3 1.393(11) . ?
C2_3 H2_3 0.9500 . ?
C3_3 O3_3 1.277(10) . ?
C3_3 C4_3 1.513(9) . ?
C4_3 C5_3 1.3900 . ?
C4_3 C9_3 1.3900 . ?
C5_3 C6_3 1.3900 . ?
C5_3 H5_3 0.9500 . ?
C6_3 C7_3 1.3900 . ?
C6_3 H6_3 0.9500 . ?
C7_3 C8_3 1.3900 . ?
C7_3 H7_3 0.9500 . ?
C8_3 C9_3 1.3900 . ?
C8_3 H8_3 0.9500 . ?
C9_3 H9_3 0.9500 . ?
C10_3 C11_3 1.3900 . ?
C10_3 C15_3 1.3900 . ?
C11_3 C12_3 1.3900 . ?
C11_3 H11_3 0.9500 . ?
C12_3 C13_3 1.3900 . ?
C12_3 H12_3 0.9500 . ?
C13_3 C14_3 1.3900 . ?
C13_3 H13_3 0.9500 . ?
C14_3 C15_3 1.3900 . ?
C14_3 H14_3 0.9500 . ?
C15_3 H15_3 0.9500 . ?
O1_4 C1_4 1.291(9) . ?
C1_4 C2_4 1.382(11) . ?
C1_4 C10_4 1.510(9) . ?
C2_4 C3_4 1.399(11) . ?
C2_4 H2_4 0.9500 . ?
C3_4 O3_4 1.275(9) . ?
C3_4 C4_4 1.520(9) . ?
C4_4 C5_4 1.3900 . ?
C4_4 C9_4 1.3900 . ?
C5_4 C6_4 1.3900 . ?
C5_4 H5_4 0.9500 . ?
C6_4 C7_4 1.3900 . ?
C6_4 H6_4 0.9500 . ?
C7_4 C8_4 1.3900 . ?
C7_4 H7_4 0.9500 . ?
C8_4 C9_4 1.3900 . ?
C8_4 H8_4 0.9500 . ?
C9_4 H9_4 0.9500 . ?
C10_4 C11_4 1.3900 . ?
C10_4 C15_4 1.3900 . ?
C11_4 C12_4 1.3900 . ?
C11_4 H11_4 0.9500 . ?
C12_4 C13_4 1.3900 . ?
C12_4 H12_4 0.9500 . ?
C13_4 C14_4 1.3900 . ?
C13_4 H13_4 0.9500 . ?
C14_4 C15_4 1.3900 . ?
C14_4 H14_4 0.9500 . ?
C15_4 H15_4 0.9500 . ?
O1_5 C1_5 1.240(10) . ?
C1_5 C2_5 1.398(12) . ?
C1_5 C10_5 1.516(10) . ?
C2_5 C3_5 1.405(12) . ?
C2_5 H2_5 0.9500 . ?
C3_5 O3_5 1.287(10) . ?
C3_5 C4_5 1.505(9) . ?
C4_5 C5_5 1.3900 . ?
C4_5 C9_5 1.3900 . ?
C5_5 C6_5 1.3900 . ?
C5_5 H5_5 0.9500 . ?
C6_5 C7_5 1.3900 . ?
C6_5 H6_5 0.9500 . ?
C7_5 C8_5 1.3900 . ?
C7_5 H7_5 0.9500 . ?
C8_5 C9_5 1.3900 . ?
C8_5 H8_5 0.9500 . ?
C9_5 H9_5 0.9500 . ?
C10_5 C11_5 1.3900 . ?
C10_5 C15_5 1.3900 . ?
C11_5 C12_5 1.3900 . ?
C11_5 H11_5 0.9500 . ?
C12_5 C13_5 1.3900 . ?
C12_5 H12_5 0.9500 . ?
C13_5 C14_5 1.3900 . ?
C13_5 H13_5 0.9500 . ?
C14_5 C15_5 1.3900 . ?
C14_5 H14_5 0.9500 . ?
C15_5 H15_5 0.9500 . ?
O1_6 C1_6 1.268(10) . ?
C1_6 C2_6 1.391(12) . ?
C1_6 C10_6 1.525(10) . ?
C2_6 C3_6 1.417(11) . ?
C2_6 H2_6 0.9500 . ?
C3_6 O3_6 1.259(10) . ?
C3_6 C4_6 1.507(10) . ?
C4_6 C5_6 1.3900 . ?
C4_6 C9_6 1.3900 . ?
C5_6 C6_6 1.3900 . ?
C5_6 H5_6 0.9500 . ?
C6_6 C7_6 1.3900 . ?
C6_6 H6_6 0.9500 . ?
C7_6 C8_6 1.3900 . ?
C7_6 H7_6 0.9500 . ?
C8_6 C9_6 1.3900 . ?
C8_6 H8_6 0.9500 . ?
C9_6 H9_6 0.9500 . ?
C10_6 C11_6 1.3900 . ?
C10_6 C15_6 1.3900 . ?
C11_6 C12_6 1.3900 . ?
C11_6 H11_6 0.9500 . ?
C12_6 C13_6 1.3900 . ?
C12_6 H12_6 0.9500 . ?
C13_6 C14_6 1.3900 . ?
C13_6 H13_6 0.9500 . ?
C14_6 C15_6 1.3900 . ?
C14_6 H14_6 0.9500 . ?
C15_6 H15_6 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1_5 Sm_1 O1_6 137.5(2) . . ?
O1_5 Sm_1 O3_4 146.4(2) . . ?
O1_6 Sm_1 O3_4 73.5(2) . . ?
O1_5 Sm_1 O1_3 117.3(2) . . ?
O1_6 Sm_1 O1_3 80.8(2) . . ?
O3_4 Sm_1 O1_3 73.2(2) . . ?
O1_5 Sm_1 O1_4 81.1(2) . . ?
O1_6 Sm_1 O1_4 117.9(2) . . ?
O3_4 Sm_1 O1_4 69.9(2) . . ?
O1_3 Sm_1 O1_4 130.1(2) . . ?
O1_5 Sm_1 O3_3 72.0(2) . . ?
O1_6 Sm_1 O3_3 147.0(2) . . ?
O3_4 Sm_1 O3_3 83.9(2) . . ?
O1_3 Sm_1 O3_3 69.6(2) . . ?
O1_4 Sm_1 O3_3 74.2(2) . . ?
O1_5 Sm_1 O3_5 70.8(2) . . ?
O1_6 Sm_1 O3_5 76.2(2) . . ?
O3_4 Sm_1 O3_5 141.6(2) . . ?
O1_3 Sm_1 O3_5 79.1(2) . . ?
O1_4 Sm_1 O3_5 147.3(2) . . ?
O3_3 Sm_1 O3_5 110.8(2) . . ?
O1_5 Sm_1 O3_6 75.8(2) . . ?
O1_6 Sm_1 O3_6 70.9(2) . . ?
O3_4 Sm_1 O3_6 114.3(2) . . ?
O1_3 Sm_1 O3_6 146.1(2) . . ?
O1_4 Sm_1 O3_6 80.9(2) . . ?
O3_3 Sm_1 O3_6 141.7(2) . . ?
O3_5 Sm_1 O3_6 76.4(2) . . ?
C1B_2 P_2 C1C_2 109.0(5) . . ?
C1B_2 P_2 CME_2 110.4(5) . . ?
C1C_2 P_2 CME_2 108.9(5) . . ?
C1B_2 P_2 C1A_2 108.3(5) . . ?
C1C_2 P_2 C1A_2 111.4(5) . . ?
CME_2 P_2 C1A_2 108.8(5) . . ?
P_2 CME_2 HME1_2 109.5 . . ?
P_2 CME_2 HME2_2 109.5 . . ?
HME1_2 CME_2 HME2_2 109.5 . . ?
P_2 CME_2 HME3_2 109.5 . . ?
HME1_2 CME_2 HME3_2 109.5 . . ?
HME2_2 CME_2 HME3_2 109.5 . . ?
C2A_2 C1A_2 P_2 113.4(7) . . ?
C2A_2 C1A_2 H1A1_2 108.9 . . ?
P_2 C1A_2 H1A1_2 108.9 . . ?
C2A_2 C1A_2 H1A2_2 108.9 . . ?
P_2 C1A_2 H1A2_2 108.9 . . ?
H1A1_2 C1A_2 H1A2_2 107.7 . . ?
C1A_2 C2A_2 C3A_2 109.9(9) . . ?
C1A_2 C2A_2 H2A1_2 109.7 . . ?
C3A_2 C2A_2 H2A1_2 109.7 . . ?
C1A_2 C2A_2 H2A2_2 109.7 . . ?
C3A_2 C2A_2 H2A2_2 109.7 . . ?
H2A1_2 C2A_2 H2A2_2 108.2 . . ?
C4A_2 C3A_2 C2A_2 111.1(10) . . ?
C4A_2 C3A_2 H3A1_2 109.4 . . ?
C2A_2 C3A_2 H3A1_2 109.4 . . ?
C4A_2 C3A_2 H3A2_2 109.4 . . ?
C2A_2 C3A_2 H3A2_2 109.4 . . ?
H3A1_2 C3A_2 H3A2_2 108.0 . . ?
C3A_2 C4A_2 C5A_2 112.7(12) . . ?
C3A_2 C4A_2 H4A1_2 109.1 . . ?
C5A_2 C4A_2 H4A1_2 109.1 . . ?
C3A_2 C4A_2 H4A2_2 109.1 . . ?
C5A_2 C4A_2 H4A2_2 109.1 . . ?
H4A1_2 C4A_2 H4A2_2 107.8 . . ?
C6A_2 C5A_2 C4A_2 112.4(12) . . ?
C6A_2 C5A_2 H5A1_2 109.1 . . ?
C4A_2 C5A_2 H5A1_2 109.1 . . ?
C6A_2 C5A_2 H5A2_2 109.1 . . ?
C4A_2 C5A_2 H5A2_2 109.1 . . ?
H5A1_2 C5A_2 H5A2_2 107.9 . . ?
C5A_2 C6A_2 C7A_2 110.1(12) . . ?
C5A_2 C6A_2 H6A1_2 109.6 . . ?
C7A_2 C6A_2 H6A1_2 109.6 . . ?
C5A_2 C6A_2 H6A2_2 109.6 . . ?
C7A_2 C6A_2 H6A2_2 109.6 . . ?
H6A1_2 C6A_2 H6A2_2 108.2 . . ?
C8A_2 C7A_2 C6A_2 109.6(13) . . ?
C8A_2 C7A_2 H7A1_2 109.7 . . ?
C6A_2 C7A_2 H7A1_2 109.7 . . ?
C8A_2 C7A_2 H7A2_2 109.7 . . ?
C6A_2 C7A_2 H7A2_2 109.7 . . ?
H7A1_2 C7A_2 H7A2_2 108.2 . . ?
C7A_2 C8A_2 H8A1_2 109.5 . . ?
C7A_2 C8A_2 H8A2_2 109.5 . . ?
H8A1_2 C8A_2 H8A2_2 109.5 . . ?
C7A_2 C8A_2 H8A3_2 109.5 . . ?
H8A1_2 C8A_2 H8A3_2 109.5 . . ?
H8A2_2 C8A_2 H8A3_2 109.5 . . ?
C2B_2 C1B_2 P_2 113.1(8) . . ?
C2B_2 C1B_2 H1B1_2 109.0 . . ?
P_2 C1B_2 H1B1_2 109.0 . . ?
C2B_2 C1B_2 H1B2_2 109.0 . . ?
P_2 C1B_2 H1B2_2 109.0 . . ?
H1B1_2 C1B_2 H1B2_2 107.8 . . ?
C1B_2 C2B_2 C3B_2 112.8(10) . . ?
C1B_2 C2B_2 H2B1_2 109.0 . . ?
C3B_2 C2B_2 H2B1_2 109.0 . . ?
C1B_2 C2B_2 H2B2_2 109.0 . . ?
C3B_2 C2B_2 H2B2_2 109.0 . . ?
H2B1_2 C2B_2 H2B2_2 107.8 . . ?
C4B_2 C3B_2 C2B_2 112.7(13) . . ?
C4B_2 C3B_2 H3B1_2 109.1 . . ?
C2B_2 C3B_2 H3B1_2 109.1 . . ?
C4B_2 C3B_2 H3B2_2 109.1 . . ?
C2B_2 C3B_2 H3B2_2 109.1 . . ?
H3B1_2 C3B_2 H3B2_2 107.8 . . ?
C3B_2 C4B_2 C5B_2 115.7(15) . . ?
C3B_2 C4B_2 H4B1_2 108.4 . . ?
C5B_2 C4B_2 H4B1_2 108.4 . . ?
C3B_2 C4B_2 H4B2_2 108.4 . . ?
C5B_2 C4B_2 H4B2_2 108.4 . . ?
H4B1_2 C4B_2 H4B2_2 107.4 . . ?
C4B_2 C5B_2 C6B_2 110.2(15) . . ?
C4B_2 C5B_2 H5B1_2 109.6 . . ?
C6B_2 C5B_2 H5B1_2 109.6 . . ?
C4B_2 C5B_2 H5B2_2 109.6 . . ?
C6B_2 C5B_2 H5B2_2 109.6 . . ?
H5B1_2 C5B_2 H5B2_2 108.1 . . ?
C7B_2 C6B_2 C5B_2 112.6(16) . . ?
C7B_2 C6B_2 H6B1_2 109.1 . . ?
C5B_2 C6B_2 H6B1_2 109.1 . . ?
C7B_2 C6B_2 H6B2_2 109.1 . . ?
C5B_2 C6B_2 H6B2_2 109.1 . . ?
H6B1_2 C6B_2 H6B2_2 107.8 . . ?
C6B_2 C7B_2 C8B_2 111.7(18) . . ?
C6B_2 C7B_2 H7B1_2 109.3 . . ?
C8B_2 C7B_2 H7B1_2 109.3 . . ?
C6B_2 C7B_2 H7B2_2 109.3 . . ?
C8B_2 C7B_2 H7B2_2 109.3 . . ?
H7B1_2 C7B_2 H7B2_2 107.9 . . ?
C7B_2 C8B_2 H8B1_2 109.5 . . ?
C7B_2 C8B_2 H8B2_2 109.5 . . ?
H8B1_2 C8B_2 H8B2_2 109.5 . . ?
C7B_2 C8B_2 H8B3_2 109.5 . . ?
H8B1_2 C8B_2 H8B3_2 109.5 . . ?
H8B2_2 C8B_2 H8B3_2 109.5 . . ?
C2C_2 C1C_2 P_2 114.5(7) . . ?
C2C_2 C1C_2 H1C1_2 108.6 . . ?
P_2 C1C_2 H1C1_2 108.6 . . ?
C2C_2 C1C_2 H1C2_2 108.6 . . ?
P_2 C1C_2 H1C2_2 108.6 . . ?
H1C1_2 C1C_2 H1C2_2 107.6 . . ?
C3C_2 C2C_2 C1C_2 111.2(9) . . ?
C3C_2 C2C_2 H2C1_2 109.4 . . ?
C1C_2 C2C_2 H2C1_2 109.4 . . ?
C3C_2 C2C_2 H2C2_2 109.4 . . ?
C1C_2 C2C_2 H2C2_2 109.4 . . ?
H2C1_2 C2C_2 H2C2_2 108.0 . . ?
C2C_2 C3C_2 C4C_2 113.0(10) . . ?
C2C_2 C3C_2 H3C1_2 109.0 . . ?
C4C_2 C3C_2 H3C1_2 109.0 . . ?
C2C_2 C3C_2 H3C2_2 109.0 . . ?
C4C_2 C3C_2 H3C2_2 109.0 . . ?
H3C1_2 C3C_2 H3C2_2 107.8 . . ?
C3C_2 C4C_2 C5C_2 113.0(12) . . ?
C3C_2 C4C_2 H4C1_2 109.0 . . ?
C5C_2 C4C_2 H4C1_2 109.0 . . ?
C3C_2 C4C_2 H4C2_2 109.0 . . ?
C5C_2 C4C_2 H4C2_2 109.0 . . ?
H4C1_2 C4C_2 H4C2_2 107.8 . . ?
C6C_2 C5C_2 C4C_2 110.6(14) . . ?
C6C_2 C5C_2 H5C1_2 109.5 . . ?
C4C_2 C5C_2 H5C1_2 109.5 . . ?
C6C_2 C5C_2 H5C2_2 109.5 . . ?
C4C_2 C5C_2 H5C2_2 109.5 . . ?
H5C1_2 C5C_2 H5C2_2 108.1 . . ?
C5C_2 C6C_2 C7C_2 119.8(17) . . ?
C5C_2 C6C_2 H6C1_2 107.4 . . ?
C7C_2 C6C_2 H6C1_2 107.4 . . ?
C5C_2 C6C_2 H6C2_2 107.4 . . ?
C7C_2 C6C_2 H6C2_2 107.4 . . ?
H6C1_2 C6C_2 H6C2_2 106.9 . . ?
C8C_2 C7C_2 C6C_2 108.6(18) . . ?
C8C_2 C7C_2 H7C1_2 110.0 . . ?
C6C_2 C7C_2 H7C1_2 110.0 . . ?
C8C_2 C7C_2 H7C2_2 110.0 . . ?
C6C_2 C7C_2 H7C2_2 110.0 . . ?
H7C1_2 C7C_2 H7C2_2 108.4 . . ?
C7C_2 C8C_2 H8C1_2 109.5 . . ?
C7C_2 C8C_2 H8C2_2 109.5 . . ?
H8C1_2 C8C_2 H8C2_2 109.5 . . ?
C7C_2 C8C_2 H8C3_2 109.5 . . ?
H8C1_2 C8C_2 H8C3_2 109.5 . . ?
H8C2_2 C8C_2 H8C3_2 109.5 . . ?
C1_3 O1_3 Sm_1 135.8(5) . . ?
O1_3 C1_3 C2_3 123.7(8) . . ?
O1_3 C1_3 C10_3 116.9(7) . . ?
C2_3 C1_3 C10_3 119.1(7) . . ?
C3_3 C2_3 C1_3 122.5(8) . . ?
C3_3 C2_3 H2_3 118.7 . . ?
C1_3 C2_3 H2_3 118.7 . . ?
O3_3 C3_3 C2_3 126.3(8) . . ?
O3_3 C3_3 C4_3 115.4(7) . . ?
C2_3 C3_3 C4_3 118.1(7) . . ?
C3_3 O3_3 Sm_1 135.5(6) . . ?
C5_3 C4_3 C9_3 120.0 . . ?
C5_3 C4_3 C3_3 120.5(5) . . ?
C9_3 C4_3 C3_3 119.5(5) . . ?
C6_3 C5_3 C4_3 120.0 . . ?
C6_3 C5_3 H5_3 120.0 . . ?
C4_3 C5_3 H5_3 120.0 . . ?
C5_3 C6_3 C7_3 120.0 . . ?
C5_3 C6_3 H6_3 120.0 . . ?
C7_3 C6_3 H6_3 120.0 . . ?
C8_3 C7_3 C6_3 120.0 . . ?
C8_3 C7_3 H7_3 120.0 . . ?
C6_3 C7_3 H7_3 120.0 . . ?
C9_3 C8_3 C7_3 120.0 . . ?
C9_3 C8_3 H8_3 120.0 . . ?
C7_3 C8_3 H8_3 120.0 . . ?
C8_3 C9_3 C4_3 120.0 . . ?
C8_3 C9_3 H9_3 120.0 . . ?
C4_3 C9_3 H9_3 120.0 . . ?
C11_3 C10_3 C15_3 120.0 . . ?
C11_3 C10_3 C1_3 116.8(5) . . ?
C15_3 C10_3 C1_3 123.2(5) . . ?
C12_3 C11_3 C10_3 120.0 . . ?
C12_3 C11_3 H11_3 120.0 . . ?
C10_3 C11_3 H11_3 120.0 . . ?
C11_3 C12_3 C13_3 120.0 . . ?
C11_3 C12_3 H12_3 120.0 . . ?
C13_3 C12_3 H12_3 120.0 . . ?
C14_3 C13_3 C12_3 120.0 . . ?
C14_3 C13_3 H13_3 120.0 . . ?
C12_3 C13_3 H13_3 120.0 . . ?
C13_3 C14_3 C15_3 120.0 . . ?
C13_3 C14_3 H14_3 120.0 . . ?
C15_3 C14_3 H14_3 120.0 . . ?
C14_3 C15_3 C10_3 120.0 . . ?
C14_3 C15_3 H15_3 120.0 . . ?
C10_3 C15_3 H15_3 120.0 . . ?
C1_4 O1_4 Sm_1 128.2(5) . . ?
O1_4 C1_4 C2_4 125.1(8) . . ?
O1_4 C1_4 C10_4 115.9(7) . . ?
C2_4 C1_4 C10_4 119.0(7) . . ?
C1_4 C2_4 C3_4 123.4(8) . . ?
C1_4 C2_4 H2_4 118.3 . . ?
C3_4 C2_4 H2_4 118.3 . . ?
O3_4 C3_4 C2_4 124.2(8) . . ?
O3_4 C3_4 C4_4 115.0(7) . . ?
C2_4 C3_4 C4_4 120.7(7) . . ?
C3_4 O3_4 Sm_1 133.0(6) . . ?
C5_4 C4_4 C9_4 120.0 . . ?
C5_4 C4_4 C3_4 122.7(5) . . ?
C9_4 C4_4 C3_4 117.3(5) . . ?
C6_4 C5_4 C4_4 120.0 . . ?
C6_4 C5_4 H5_4 120.0 . . ?
C4_4 C5_4 H5_4 120.0 . . ?
C5_4 C6_4 C7_4 120.0 . . ?
C5_4 C6_4 H6_4 120.0 . . ?
C7_4 C6_4 H6_4 120.0 . . ?
C8_4 C7_4 C6_4 120.0 . . ?
C8_4 C7_4 H7_4 120.0 . . ?
C6_4 C7_4 H7_4 120.0 . . ?
C9_4 C8_4 C7_4 120.0 . . ?
C9_4 C8_4 H8_4 120.0 . . ?
C7_4 C8_4 H8_4 120.0 . . ?
C8_4 C9_4 C4_4 120.0 . . ?
C8_4 C9_4 H9_4 120.0 . . ?
C4_4 C9_4 H9_4 120.0 . . ?
C11_4 C10_4 C15_4 120.0 . . ?
C11_4 C10_4 C1_4 122.7(5) . . ?
C15_4 C10_4 C1_4 117.3(5) . . ?
C10_4 C11_4 C12_4 120.0 . . ?
C10_4 C11_4 H11_4 120.0 . . ?
C12_4 C11_4 H11_4 120.0 . . ?
C13_4 C12_4 C11_4 120.0 . . ?
C13_4 C12_4 H12_4 120.0 . . ?
C11_4 C12_4 H12_4 120.0 . . ?
C14_4 C13_4 C12_4 120.0 . . ?
C14_4 C13_4 H13_4 120.0 . . ?
C12_4 C13_4 H13_4 120.0 . . ?
C15_4 C14_4 C13_4 120.0 . . ?
C15_4 C14_4 H14_4 120.0 . . ?
C13_4 C14_4 H14_4 120.0 . . ?
C14_4 C15_4 C10_4 120.0 . . ?
C14_4 C15_4 H15_4 120.0 . . ?
C10_4 C15_4 H15_4 120.0 . . ?
C1_5 O1_5 Sm_1 138.6(6) . . ?
O1_5 C1_5 C2_5 123.4(9) . . ?
O1_5 C1_5 C10_5 115.4(8) . . ?
C2_5 C1_5 C10_5 121.2(8) . . ?
C1_5 C2_5 C3_5 123.9(9) . . ?
C1_5 C2_5 H2_5 118.0 . . ?
C3_5 C2_5 H2_5 118.0 . . ?
O3_5 C3_5 C2_5 125.5(8) . . ?
O3_5 C3_5 C4_5 114.8(8) . . ?
C2_5 C3_5 C4_5 119.7(8) . . ?
C3_5 O3_5 Sm_1 130.7(6) . . ?
C5_5 C4_5 C9_5 120.0 . . ?
C5_5 C4_5 C3_5 122.9(6) . . ?
C9_5 C4_5 C3_5 117.1(6) . . ?
C6_5 C5_5 C4_5 120.0 . . ?
C6_5 C5_5 H5_5 120.0 . . ?
C4_5 C5_5 H5_5 120.0 . . ?
C5_5 C6_5 C7_5 120.0 . . ?
C5_5 C6_5 H6_5 120.0 . . ?
C7_5 C6_5 H6_5 120.0 . . ?
C8_5 C7_5 C6_5 120.0 . . ?
C8_5 C7_5 H7_5 120.0 . . ?
C6_5 C7_5 H7_5 120.0 . . ?
C7_5 C8_5 C9_5 120.0 . . ?
C7_5 C8_5 H8_5 120.0 . . ?
C9_5 C8_5 H8_5 120.0 . . ?
C8_5 C9_5 C4_5 120.0 . . ?
C8_5 C9_5 H9_5 120.0 . . ?
C4_5 C9_5 H9_5 120.0 . . ?
C11_5 C10_5 C15_5 120.0 . . ?
C11_5 C10_5 C1_5 123.3(6) . . ?
C15_5 C10_5 C1_5 116.7(6) . . ?
C12_5 C11_5 C10_5 120.0 . . ?
C12_5 C11_5 H11_5 120.0 . . ?
C10_5 C11_5 H11_5 120.0 . . ?
C11_5 C12_5 C13_5 120.0 . . ?
C11_5 C12_5 H12_5 120.0 . . ?
C13_5 C12_5 H12_5 120.0 . . ?
C14_5 C13_5 C12_5 120.0 . . ?
C14_5 C13_5 H13_5 120.0 . . ?
C12_5 C13_5 H13_5 120.0 . . ?
C13_5 C14_5 C15_5 120.0 . . ?
C13_5 C14_5 H14_5 120.0 . . ?
C15_5 C14_5 H14_5 120.0 . . ?
C14_5 C15_5 C10_5 120.0 . . ?
C14_5 C15_5 H15_5 120.0 . . ?
C10_5 C15_5 H15_5 120.0 . . ?
C1_6 O1_6 Sm_1 130.6(6) . . ?
O1_6 C1_6 C2_6 125.1(9) . . ?
O1_6 C1_6 C10_6 113.0(8) . . ?
C2_6 C1_6 C10_6 121.6(8) . . ?
C1_6 C2_6 C3_6 124.3(9) . . ?
C1_6 C2_6 H2_6 117.9 . . ?
C3_6 C2_6 H2_6 117.9 . . ?
O3_6 C3_6 C2_6 124.6(8) . . ?
O3_6 C3_6 C4_6 115.8(8) . . ?
C2_6 C3_6 C4_6 119.6(8) . . ?
C3_6 O3_6 Sm_1 128.8(6) . . ?
C5_6 C4_6 C9_6 120.0 . . ?
C5_6 C4_6 C3_6 120.0(6) . . ?
C9_6 C4_6 C3_6 120.0(6) . . ?
C4_6 C5_6 C6_6 120.0 . . ?
C4_6 C5_6 H5_6 120.0 . . ?
C6_6 C5_6 H5_6 120.0 . . ?
C7_6 C6_6 C5_6 120.0 . . ?
C7_6 C6_6 H6_6 120.0 . . ?
C5_6 C6_6 H6_6 120.0 . . ?
C6_6 C7_6 C8_6 120.0 . . ?
C6_6 C7_6 H7_6 120.0 . . ?
C8_6 C7_6 H7_6 120.0 . . ?
C9_6 C8_6 C7_6 120.0 . . ?
C9_6 C8_6 H8_6 120.0 . . ?
C7_6 C8_6 H8_6 120.0 . . ?
C8_6 C9_6 C4_6 120.0 . . ?
C8_6 C9_6 H9_6 120.0 . . ?
C4_6 C9_6 H9_6 120.0 . . ?
C11_6 C10_6 C15_6 120.0 . . ?
C11_6 C10_6 C1_6 122.3(6) . . ?
C15_6 C10_6 C1_6 117.7(6) . . ?
C12_6 C11_6 C10_6 120.0 . . ?
C12_6 C11_6 H11_6 120.0 . . ?
C10_6 C11_6 H11_6 120.0 . . ?
C11_6 C12_6 C13_6 120.0 . . ?
C11_6 C12_6 H12_6 120.0 . . ?
C13_6 C12_6 H12_6 120.0 . . ?
C12_6 C13_6 C14_6 120.0 . . ?
C12_6 C13_6 H13_6 120.0 . . ?
C14_6 C13_6 H13_6 120.0 . . ?
C15_6 C14_6 C13_6 120.0 . . ?
C15_6 C14_6 H14_6 120.0 . . ?
C13_6 C14_6 H14_6 120.0 . . ?
C14_6 C15_6 C10_6 120.0 . . ?
C14_6 C15_6 H15_6 120.0 . . ?
C10_6 C15_6 H15_6 120.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1B_2 P_2 C1A_2 C2A_2 173.5(8) . . . . ?
C1C_2 P_2 C1A_2 C2A_2 -66.5(9) . . . . ?
CME_2 P_2 C1A_2 C2A_2 53.5(9) . . . . ?
P_2 C1A_2 C2A_2 C3A_2 -177.7(8) . . . . ?
C1A_2 C2A_2 C3A_2 C4A_2 -173.4(11) . . . . ?
C2A_2 C3A_2 C4A_2 C5A_2 177.2(12) . . . . ?
C3A_2 C4A_2 C5A_2 C6A_2 67.2(19) . . . . ?
C4A_2 C5A_2 C6A_2 C7A_2 168.7(15) . . . . ?
C5A_2 C6A_2 C7A_2 C8A_2 177.3(17) . . . . ?
C1C_2 P_2 C1B_2 C2B_2 67.9(10) . . . . ?
CME_2 P_2 C1B_2 C2B_2 -51.7(10) . . . . ?
C1A_2 P_2 C1B_2 C2B_2 -170.7(8) . . . . ?
P_2 C1B_2 C2B_2 C3B_2 -170.0(9) . . . . ?
C1B_2 C2B_2 C3B_2 C4B_2 80.9(16) . . . . ?
C2B_2 C3B_2 C4B_2 C5B_2 58(2) . . . . ?
C3B_2 C4B_2 C5B_2 C6B_2 -171.5(18) . . . . ?
C4B_2 C5B_2 C6B_2 C7B_2 176(2) . . . . ?
C5B_2 C6B_2 C7B_2 C8B_2 -175(2) . . . . ?
C1B_2 P_2 C1C_2 C2C_2 46.2(10) . . . . ?
CME_2 P_2 C1C_2 C2C_2 166.7(9) . . . . ?
C1A_2 P_2 C1C_2 C2C_2 -73.3(10) . . . . ?
P_2 C1C_2 C2C_2 C3C_2 172.8(9) . . . . ?
C1C_2 C2C_2 C3C_2 C4C_2 173.3(11) . . . . ?
C2C_2 C3C_2 C4C_2 C5C_2 175.3(13) . . . . ?
C3C_2 C4C_2 C5C_2 C6C_2 179.4(14) . . . . ?
C4C_2 C5C_2 C6C_2 C7C_2 168.4(18) . . . . ?
C5C_2 C6C_2 C7C_2 C8C_2 38(3) . . . . ?
Sm_1 O1_3 C1_3 C2_3 30.7(10) . . . . ?
Sm_1 O1_3 C1_3 C10_3 -143.3(6) . . . . ?
O1_3 C1_3 C2_3 C3_3 -3.7(11) . . . . ?
C10_3 C1_3 C2_3 C3_3 170.2(7) . . . . ?
C1_3 C2_3 C3_3 O3_3 -10.1(13) . . . . ?
C1_3 C2_3 C3_3 C4_3 175.6(6) . . . . ?
C2_3 C3_3 O3_3 Sm_1 -1.5(14) . . . . ?
C4_3 C3_3 O3_3 Sm_1 173.0(5) . . . . ?
O3_3 C3_3 C4_3 C5_3 143.0(7) . . . . ?
C2_3 C3_3 C4_3 C5_3 -42.1(9) . . . . ?
O3_3 C3_3 C4_3 C9_3 -36.8(9) . . . . ?
C2_3 C3_3 C4_3 C9_3 138.2(7) . . . . ?
C9_3 C4_3 C5_3 C6_3 0.0 . . . . ?
C3_3 C4_3 C5_3 C6_3 -179.8(6) . . . . ?
C4_3 C5_3 C6_3 C7_3 0.0 . . . . ?
C5_3 C6_3 C7_3 C8_3 0.0 . . . . ?
C6_3 C7_3 C8_3 C9_3 0.0 . . . . ?
C7_3 C8_3 C9_3 C4_3 0.0 . . . . ?
C5_3 C4_3 C9_3 C8_3 0.0 . . . . ?
C3_3 C4_3 C9_3 C8_3 179.8(6) . . . . ?
O1_3 C1_3 C10_3 C11_3 8.9(7) . . . . ?
C2_3 C1_3 C10_3 C11_3 -165.4(5) . . . . ?
O1_3 C1_3 C10_3 C15_3 -173.7(5) . . . . ?
C2_3 C1_3 C10_3 C15_3 12.0(8) . . . . ?
C15_3 C10_3 C11_3 C12_3 0.0 . . . . ?
C1_3 C10_3 C11_3 C12_3 177.5(5) . . . . ?
C10_3 C11_3 C12_3 C13_3 0.0 . . . . ?
C11_3 C12_3 C13_3 C14_3 0.0 . . . . ?
C12_3 C13_3 C14_3 C15_3 0.0 . . . . ?
C13_3 C14_3 C15_3 C10_3 0.0 . . . . ?
C11_3 C10_3 C15_3 C14_3 0.0 . . . . ?
C1_3 C10_3 C15_3 C14_3 -177.3(5) . . . . ?
Sm_1 O1_4 C1_4 C2_4 37.5(10) . . . . ?
Sm_1 O1_4 C1_4 C10_4 -139.6(6) . . . . ?
O1_4 C1_4 C2_4 C3_4 -2.0(11) . . . . ?
C10_4 C1_4 C2_4 C3_4 175.1(8) . . . . ?
C1_4 C2_4 C3_4 O3_4 -7.4(13) . . . . ?
C1_4 C2_4 C3_4 C4_4 175.4(7) . . . . ?
C2_4 C3_4 O3_4 Sm_1 -20.8(13) . . . . ?
C4_4 C3_4 O3_4 Sm_1 156.6(5) . . . . ?
O3_4 C3_4 C4_4 C5_4 164.1(6) . . . . ?
C2_4 C3_4 C4_4 C5_4 -18.5(9) . . . . ?
O3_4 C3_4 C4_4 C9_4 -17.0(8) . . . . ?
C2_4 C3_4 C4_4 C9_4 160.4(7) . . . . ?
C9_4 C4_4 C5_4 C6_4 0.0 . . . . ?
C3_4 C4_4 C5_4 C6_4 178.9(6) . . . . ?
C4_4 C5_4 C6_4 C7_4 0.0 . . . . ?
C5_4 C6_4 C7_4 C8_4 0.0 . . . . ?
C6_4 C7_4 C8_4 C9_4 0.0 . . . . ?
C7_4 C8_4 C9_4 C4_4 0.0 . . . . ?
C5_4 C4_4 C9_4 C8_4 0.0 . . . . ?
C3_4 C4_4 C9_4 C8_4 -178.9(5) . . . . ?
O1_4 C1_4 C10_4 C11_4 -177.0(6) . . . . ?
C2_4 C1_4 C10_4 C11_4 5.7(8) . . . . ?
O1_4 C1_4 C10_4 C15_4 3.2(8) . . . . ?
C2_4 C1_4 C10_4 C15_4 -174.1(6) . . . . ?
C15_4 C10_4 C11_4 C12_4 0.0 . . . . ?
C1_4 C10_4 C11_4 C12_4 -179.8(6) . . . . ?
C10_4 C11_4 C12_4 C13_4 0.0 . . . . ?
C11_4 C12_4 C13_4 C14_4 0.0 . . . . ?
C12_4 C13_4 C14_4 C15_4 0.0 . . . . ?
C13_4 C14_4 C15_4 C10_4 0.0 . . . . ?
C11_4 C10_4 C15_4 C14_4 0.0 . . . . ?
C1_4 C10_4 C15_4 C14_4 179.8(6) . . . . ?
Sm_1 O1_5 C1_5 C2_5 17.1(12) . . . . ?
Sm_1 O1_5 C1_5 C10_5 -163.0(6) . . . . ?
O1_5 C1_5 C2_5 C3_5 2.5(12) . . . . ?
C10_5 C1_5 C2_5 C3_5 -177.4(9) . . . . ?
C1_5 C2_5 C3_5 O3_5 3.4(16) . . . . ?
C1_5 C2_5 C3_5 C4_5 -178.1(7) . . . . ?
C2_5 C3_5 O3_5 Sm_1 -25.6(15) . . . . ?
C4_5 C3_5 O3_5 Sm_1 155.8(5) . . . . ?
O3_5 C3_5 C4_5 C5_5 170.4(7) . . . . ?
C2_5 C3_5 C4_5 C5_5 -8.3(11) . . . . ?
O3_5 C3_5 C4_5 C9_5 -9.9(10) . . . . ?
C2_5 C3_5 C4_5 C9_5 171.4(8) . . . . ?
C9_5 C4_5 C5_5 C6_5 0.0 . . . . ?
C3_5 C4_5 C5_5 C6_5 179.6(6) . . . . ?
C4_5 C5_5 C6_5 C7_5 0.0 . . . . ?
C5_5 C6_5 C7_5 C8_5 0.0 . . . . ?
C6_5 C7_5 C8_5 C9_5 0.0 . . . . ?
C7_5 C8_5 C9_5 C4_5 0.0 . . . . ?
C5_5 C4_5 C9_5 C8_5 0.0 . . . . ?
C3_5 C4_5 C9_5 C8_5 -179.7(6) . . . . ?
O1_5 C1_5 C10_5 C11_5 -179.7(8) . . . . ?
C2_5 C1_5 C10_5 C11_5 0.2(10) . . . . ?
O1_5 C1_5 C10_5 C15_5 0.5(10) . . . . ?
C2_5 C1_5 C10_5 C15_5 -179.6(8) . . . . ?
C15_5 C10_5 C11_5 C12_5 0.0 . . . . ?
C1_5 C10_5 C11_5 C12_5 -179.8(7) . . . . ?
C10_5 C11_5 C12_5 C13_5 0.0 . . . . ?
C11_5 C12_5 C13_5 C14_5 0.0 . . . . ?
C12_5 C13_5 C14_5 C15_5 0.0 . . . . ?
C13_5 C14_5 C15_5 C10_5 0.0 . . . . ?
C11_5 C10_5 C15_5 C14_5 0.0 . . . . ?
C1_5 C10_5 C15_5 C14_5 179.8(6) . . . . ?
Sm_1 O1_6 C1_6 C2_6 32.3(12) . . . . ?
Sm_1 O1_6 C1_6 C10_6 -142.1(6) . . . . ?
O1_6 C1_6 C2_6 C3_6 -1.5(12) . . . . ?
C10_6 C1_6 C2_6 C3_6 172.3(9) . . . . ?
C1_6 C2_6 C3_6 O3_6 1.5(15) . . . . ?
C1_6 C2_6 C3_6 C4_6 -177.1(7) . . . . ?
C2_6 C3_6 O3_6 Sm_1 -30.3(14) . . . . ?
C4_6 C3_6 O3_6 Sm_1 148.4(6) . . . . ?
O3_6 C3_6 C4_6 C5_6 169.4(9) . . . . ?
C2_6 C3_6 C4_6 C5_6 -11.8(11) . . . . ?
O3_6 C3_6 C4_6 C9_6 -10.5(11) . . . . ?
C2_6 C3_6 C4_6 C9_6 168.3(9) . . . . ?
C9_6 C4_6 C5_6 C6_6 0.0 . . . . ?
C3_6 C4_6 C5_6 C6_6 -179.9(7) . . . . ?
C4_6 C5_6 C6_6 C7_6 0.0 . . . . ?
C5_6 C6_6 C7_6 C8_6 0.0 . . . . ?
C6_6 C7_6 C8_6 C9_6 0.0 . . . . ?
C7_6 C8_6 C9_6 C4_6 0.0 . . . . ?
C5_6 C4_6 C9_6 C8_6 0.0 . . . . ?
C3_6 C4_6 C9_6 C8_6 179.9(7) . . . . ?
O1_6 C1_6 C10_6 C11_6 157.2(7) . . . . ?
C2_6 C1_6 C10_6 C11_6 -17.3(9) . . . . ?
O1_6 C1_6 C10_6 C15_6 -23.2(9) . . . . ?
C2_6 C1_6 C10_6 C15_6 162.2(7) . . . . ?
C15_6 C10_6 C11_6 C12_6 0.0 . . . . ?
C1_6 C10_6 C11_6 C12_6 179.5(6) . . . . ?
C10_6 C11_6 C12_6 C13_6 0.0 . . . . ?
C11_6 C12_6 C13_6 C14_6 0.0 . . . . ?
C12_6 C13_6 C14_6 C15_6 0.0 . . . . ?
C13_6 C14_6 C15_6 C10_6 0.0 . . . . ?
C11_6 C10_6 C15_6 C14_6 0.0 . . . . ?
C1_6 C10_6 C15_6 C14_6 -179.6(6) . . . . ?

_refine_diff_density_max         3.054
_refine_diff_density_min         -1.349
_refine_diff_density_rms         0.122
