#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:35:27 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178658 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/69/4076932.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4076932
loop_
_publ_author_name
'Zi, Guofu'
'Li, Hung-Wing'
'Xie, Zuowei'
_publ_section_title
;
 Synthesis, Structural Characterization, and Reactivity of
 Lanthanacarboranes Incorporating “Carbons-Adjacent”nido-
 andarachno-Carborane Anions of the C2B10System
;
_journal_issue                   16
_journal_name_full               Organometallics
_journal_page_first              3464
_journal_paper_doi               10.1021/om020299p
_journal_volume                  21
_journal_year                    2002
_chemical_formula_sum            'C176 H336 B80 Er4 Na20 O24'
_chemical_formula_weight         4830.09
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                113.2180(10)
_cell_angle_beta                 106.0260(10)
_cell_angle_gamma                93.3440(10)
_cell_formula_units_Z            1
_cell_length_a                   19.1538(10)
_cell_length_b                   20.9968(11)
_cell_length_c                   21.1095(11)
_cell_measurement_temperature    293(2)
_cell_volume                     7363.3(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0613
_diffrn_reflns_av_sigmaI/netI    0.0997
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            31668
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.11
_exptl_absorpt_coefficient_mu    1.204
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8305
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.089
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2476
_exptl_crystal_size_max          0.54
_exptl_crystal_size_mid          0.52
_exptl_crystal_size_min          0.50
_refine_diff_density_max         2.194
_refine_diff_density_min         -0.658
_refine_diff_density_rms         0.192
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1474
_refine_ls_number_reflns         19215
_refine_ls_number_restraints     158
_refine_ls_restrained_S_all      0.996
_refine_ls_R_factor_all          0.1229
_refine_ls_R_factor_gt           0.0790
_refine_ls_shift/su_max          0.156
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1787P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2375
_refine_ls_wR_factor_ref         0.2688
_reflns_number_gt                11478
_reflns_number_total             19215
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om020299p.cif
_cod_data_source_block           13
_cod_original_sg_symbol_H-M      P(-1)
_cod_database_code               4076932
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Er1 Er 0.854382(9) 0.024648(8) 0.618368(8) 0.05188(6) Uani 1 1 d .
Er2 Er 0.728195(9) -0.236252(8) 0.198406(9) 0.05523(6) Uani 1 1 d .
Na1 Na 0.98449(8) -0.20891(8) 0.43181(8) 0.0707(6) Uani 1 1 d .
Na2 Na 0.78853(8) -0.09971(7) 0.40633(7) 0.0638(6) Uani 1 1 d .
Na3 Na 0.92366(8) -0.13120(7) 0.27906(7) 0.0633(5) Uani 1 1 d .
Na4 Na 0.83700(8) 0.06531(7) 0.35771(8) 0.0664(6) Uani 1 1 d .
Na5 Na 0.88476(9) -0.02573(8) 0.16066(8) 0.0771(6) Uani 1 1 d .
Na6 Na 0.62463(9) -0.00413(9) 0.36433(10) 0.0872(7) Uani 1 1 d .
Na7 Na 1.0000 0.0000 0.5000 0.0932(10) Uani 1 2 d S
Na8 Na 0.79060(9) -0.27626(8) 0.46160(9) 0.0784(6) Uani 1 1 d .
Na9 Na 0.78842(11) -0.49258(9) 0.04990(9) 0.0937(8) Uani 1 1 d .
Na10 Na 0.80537(12) 0.31072(10) 0.68077(12) 0.0365(8) Uani 0.50 1 d P
Na11 Na 0.50987(19) -0.04641(19) 0.1001(2) 0.1074(16) Uani 0.50 1 d P
B3 B 0.9694(2) 0.0097(2) 0.7076(2) 0.0576(16) Uani 1 1 d .
H3 H 0.9963 0.0638 0.7482 0.069 Uiso 1 1 calc R
B4 B 0.9881(2) -0.0155(2) 0.6261(2) 0.0541(15) Uani 1 1 d .
H4 H 0.9857 0.0159 0.5946 0.065 Uiso 1 1 calc R
B5 B 0.9177(2) -0.0812(2) 0.5455(2) 0.0513(15) Uani 1 1 d .
H5 H 0.9125 -0.0806 0.4925 0.062 Uiso 1 1 calc R
B6 B 0.8387(2) -0.1109(2) 0.5587(2) 0.0581(16) Uani 1 1 d .
H6 H 0.7881 -0.1276 0.5113 0.070 Uiso 1 1 calc R
B7 B 0.9601(3) -0.0671(2) 0.7273(2) 0.0644(17) Uani 1 1 d .
H7 H 0.9367 -0.0953 0.7532 0.077 Uiso 1 1 calc R
B8 B 1.0231(2) -0.0566(2) 0.6843(2) 0.0585(16) Uani 1 1 d .
H8 H 1.0822 -0.0470 0.7153 0.070 Uiso 1 1 calc R
B9 B 0.9956(2) -0.1069(2) 0.5910(2) 0.0581(16) Uani 1 1 d .
H9 H 1.0383 -0.1255 0.5661 0.070 Uiso 1 1 calc R
B10 B 0.9118(2) -0.1610(2) 0.5559(2) 0.0598(17) Uani 1 1 d .
H10 H 0.9051 -0.2130 0.5108 0.072 Uiso 1 1 calc R
B11 B 0.8649(2) -0.1564(2) 0.6171(2) 0.0621(17) Uani 1 1 d .
H11 H 0.8539 -0.1730 0.6573 0.074 Uiso 1 1 calc R
B12 B 0.9644(3) -0.1420(2) 0.6455(2) 0.0631(17) Uani 1 1 d .
H12 H 0.9825 -0.1844 0.6606 0.076 Uiso 1 1 calc R
B13 B 0.9053(2) 0.12253(19) 0.5879(2) 0.0482(14) Uani 1 1 d .
H13 H 0.9638 0.1185 0.5960 0.058 Uiso 1 1 calc R
B14 B 0.8410(2) 0.0580(2) 0.5041(2) 0.0591(17) Uani 1 1 d .
H14 H 0.8628 0.0192 0.4654 0.071 Uiso 1 1 calc R
B15 B 0.7509(2) 0.0325(2) 0.5069(3) 0.0677(19) Uani 1 1 d .
H15 H 0.7213 -0.0217 0.4691 0.081 Uiso 1 1 calc R
B16 B 0.7342(2) 0.0723(2) 0.5887(2) 0.0608(17) Uani 1 1 d .
H16 H 0.6942 0.0397 0.5976 0.073 Uiso 1 1 calc R
B17 B 0.8693(2) 0.2042(2) 0.6112(2) 0.0578(16) Uani 1 1 d .
H17 H 0.9081 0.2551 0.6419 0.069 Uiso 1 1 calc R
B18 B 0.8529(2) 0.1494(2) 0.5194(2) 0.0609(16) Uani 1 1 d .
H18 H 0.8799 0.1700 0.4898 0.073 Uiso 1 1 calc R
B19 B 0.7647(2) 0.0943(2) 0.4715(2) 0.0635(18) Uani 1 1 d .
H19 H 0.7403 0.0817 0.4133 0.076 Uiso 1 1 calc R
B20 B 0.7051(2) 0.1037(2) 0.5238(3) 0.0705(19) Uani 1 1 d .
H20 H 0.6455 0.0978 0.4970 0.085 Uiso 1 1 calc R
B21 B 0.7416(2) 0.1660(2) 0.6127(2) 0.0650(17) Uani 1 1 d .
H21 H 0.7082 0.1964 0.6443 0.078 Uiso 1 1 calc R
B22 B 0.7740(2) 0.1814(3) 0.5436(2) 0.0668(18) Uani 1 1 d .
H22 H 0.7578 0.2293 0.5392 0.080 Uiso 1 1 calc R
B23 B 0.7869(2) -0.1289(2) 0.1803(2) 0.0540(15) Uani 1 1 d .
H23 H 0.8454 -0.1328 0.1873 0.065 Uiso 1 1 calc R
B24 B 0.7661(2) -0.0915(2) 0.2623(2) 0.0618(17) Uani 1 1 d .
H24 H 0.8122 -0.0743 0.3136 0.074 Uiso 1 1 calc R
B25 B 0.6749(2) -0.1216(2) 0.2608(3) 0.0603(17) Uani 1 1 d .
H25 H 0.6690 -0.1218 0.3112 0.072 Uiso 1 1 calc R
B26 B 0.6130(3) -0.1828(2) 0.1741(2) 0.0630(17) Uani 1 1 d .
H26 H 0.5694 -0.2176 0.1764 0.076 Uiso 1 1 calc R
B27 B 0.7241(2) -0.1032(2) 0.1138(2) 0.0591(16) Uani 1 1 d .
H27 H 0.6928 -0.1122 0.0579 0.071 Uiso 1 1 calc R
B28 B 0.7573(2) -0.0454(2) 0.2046(2) 0.0587(16) Uani 1 1 d .
H28 H 0.7955 0.0029 0.2186 0.070 Uiso 1 1 calc R
B29 B 0.6974(2) -0.0407(2) 0.2536(3) 0.0650(18) Uani 1 1 d .
H29 H 0.7016 0.0106 0.2986 0.078 Uiso 1 1 calc R
B30 B 0.6099(3) -0.0920(2) 0.2019(3) 0.073(2) Uani 1 1 d .
H30 H 0.5617 -0.0711 0.2148 0.087 Uiso 1 1 calc R
B31 B 0.6011(3) -0.1432(2) 0.1095(3) 0.075(2) Uani 1 1 d .
H31 H 0.5799 -0.1703 0.0496 0.090 Uiso 1 1 calc R
B32 B 0.6611(3) -0.0583(2) 0.1587(3) 0.0698(18) Uani 1 1 d .
H32 H 0.6385 -0.0229 0.1346 0.084 Uiso 1 1 calc R
B33 B 0.7746(2) -0.3501(2) 0.1469(2) 0.0581(16) Uani 1 1 d .
H33 H 0.7642 -0.3596 0.0897 0.070 Uiso 1 1 calc R
B34 B 0.8554(2) -0.2866(2) 0.2103(2) 0.0575(16) Uani 1 1 d .
H34 H 0.8907 -0.2597 0.1916 0.069 Uiso 1 1 calc R
B35 B 0.8507(2) -0.2388(2) 0.3005(2) 0.0553(16) Uani 1 1 d .
H35 H 0.8825 -0.1846 0.3334 0.066 Uiso 1 1 calc R
B36 B 0.7683(2) -0.2588(2) 0.3169(2) 0.0586(16) Uani 1 1 d .
H36 H 0.7550 -0.2146 0.3587 0.070 Uiso 1 1 calc R
B37 B 0.7621(3) -0.4176(2) 0.1804(2) 0.0663(18) Uani 1 1 d .
H37 H 0.7277 -0.4567 0.1871 0.080 Uiso 1 1 calc R
B38 B 0.8515(2) -0.3785(2) 0.1920(2) 0.0600(17) Uani 1 1 d .
H38 H 0.8846 -0.4115 0.1619 0.072 Uiso 1 1 calc R
B39 B 0.8957(2) -0.3131(2) 0.2792(2) 0.0619(17) Uani 1 1 d .
H39 H 0.9562 -0.3063 0.3011 0.074 Uiso 1 1 calc R
B40 B 0.8463(3) -0.3014(2) 0.3395(2) 0.0624(17) Uani 1 1 d .
H40 H 0.8771 -0.2897 0.3964 0.075 Uiso 1 1 calc R
B41 B 0.7579(3) -0.3527(2) 0.3018(3) 0.0672(19) Uani 1 1 d .
H41 H 0.7225 -0.4035 0.2853 0.081 Uiso 1 1 calc R
B42 B 0.8316(3) -0.3886(2) 0.2672(2) 0.0622(17) Uani 1 1 d .
H42 H 0.8434 -0.4343 0.2786 0.075 Uiso 1 1 calc R
C1 C 0.83244(19) -0.08372(17) 0.63864(18) 0.0516(13) Uani 1 1 d .
C2 C 0.89347(19) -0.02795(18) 0.70780(18) 0.0552(13) Uani 1 1 d .
C3 C 0.75464(19) -0.0863(2) 0.64722(19) 0.0667(15) Uani 1 1 d .
H3A H 0.7358 -0.0449 0.6457 0.080 Uiso 1 1 calc R
H3B H 0.7210 -0.1277 0.6070 0.080 Uiso 1 1 calc R
C4 C 0.7066(3) -0.1351(3) 0.7240(3) 0.105(2) Uani 1 1 d .
H4A H 0.6681 -0.1657 0.6827 0.126 Uiso 1 1 calc R
C5 C 0.7130(3) -0.1356(3) 0.7917(3) 0.128(2) Uani 1 1 d .
H5A H 0.6787 -0.1665 0.7948 0.154 Uiso 1 1 calc R
C6 C 0.7672(3) -0.0926(3) 0.8508(3) 0.117(2) Uani 1 1 d .
H6A H 0.7719 -0.0941 0.8952 0.140 Uiso 1 1 calc R
C7 C 0.8177(3) -0.0446(2) 0.8467(2) 0.0917(19) Uani 1 1 d .
H7A H 0.8548 -0.0137 0.8891 0.110 Uiso 1 1 calc R
C8 C 0.8139(2) -0.0419(2) 0.7821(2) 0.0721(15) Uani 1 1 d .
C9 C 0.7577(2) -0.0889(2) 0.7181(2) 0.0734(15) Uani 1 1 d .
C10 C 0.8627(2) 0.0069(2) 0.77251(18) 0.0639(14) Uani 1 1 d .
H10A H 0.9042 0.0308 0.8173 0.077 Uiso 1 1 calc R
H10B H 0.8359 0.0424 0.7647 0.077 Uiso 1 1 calc R
C11 C 0.79925(19) 0.13723(17) 0.65924(19) 0.0566(13) Uani 1 1 d .
C12 C 0.87755(18) 0.15926(18) 0.65784(17) 0.0496(12) Uani 1 1 d .
C13 C 0.7969(2) 0.1612(2) 0.7389(2) 0.0762(17) Uani 1 1 d .
H13A H 0.7461 0.1558 0.7385 0.091 Uiso 1 1 calc R
H13B H 0.8226 0.1329 0.7611 0.091 Uiso 1 1 calc R
C14 C 0.8001(3) 0.2924(3) 0.8180(2) 0.106(2) Uani 1 1 d .
H14A H 0.7526 0.2812 0.8185 0.127 Uiso 1 1 calc R
C15 C 0.8363(3) 0.3632(2) 0.8538(3) 0.109(2) Uani 1 1 d .
H15A H 0.8143 0.3987 0.8791 0.131 Uiso 1 1 calc R
C16 C 0.9048(3) 0.3781(2) 0.8502(3) 0.106(2) Uani 1 1 d .
H16A H 0.9282 0.4252 0.8721 0.128 Uiso 1 1 calc R
C17 C 0.9408(3) 0.3287(2) 0.8165(2) 0.090(2) Uani 1 1 d .
H17A H 0.9885 0.3413 0.8173 0.108 Uiso 1 1 calc R
C18 C 0.9032(2) 0.2550(2) 0.77921(19) 0.0653(15) Uani 1 1 d .
C19 C 0.8340(2) 0.2369(2) 0.78064(19) 0.0684(15) Uani 1 1 d .
C20 C 0.9350(2) 0.19749(19) 0.7341(2) 0.0658(15) Uani 1 1 d .
H20A H 0.9460 0.1647 0.7559 0.079 Uiso 1 1 calc R
H20B H 0.9804 0.2172 0.7312 0.079 Uiso 1 1 calc R
C21 C 0.6419(2) -0.20796(19) 0.10249(19) 0.0606(14) Uani 1 1 d .
C22 C 0.7217(2) -0.18285(19) 0.10500(18) 0.0595(14) Uani 1 1 d .
C23 C 0.6038(3) -0.2765(2) 0.0368(2) 0.0752(17) Uani 1 1 d .
H23A H 0.6245 -0.3150 0.0443 0.090 Uiso 1 1 calc R
H23B H 0.5516 -0.2846 0.0309 0.090 Uiso 1 1 calc R
C24 C 0.5569(3) -0.2971(2) -0.0976(2) 0.121(2) Uani 1 1 d .
H24A H 0.5082 -0.3089 -0.1004 0.145 Uiso 1 1 calc R
C25 C 0.5714(4) -0.3016(3) -0.1592(3) 0.170(3) Uani 1 1 d .
H25A H 0.5330 -0.3205 -0.2034 0.203 Uiso 1 1 calc R
C26 C 0.6395(4) -0.2796(3) -0.1578(3) 0.167(3) Uani 1 1 d .
H26A H 0.6481 -0.2810 -0.1995 0.200 Uiso 1 1 calc R
C27 C 0.6957(4) -0.2552(3) -0.0927(3) 0.127(3) Uani 1 1 d .
H27A H 0.7430 -0.2391 -0.0904 0.153 Uiso 1 1 calc R
C28 C 0.6839(3) -0.2538(2) -0.0285(2) 0.0876(19) Uani 1 1 d .
C29 C 0.6128(3) -0.2753(2) -0.0311(2) 0.0869(19) Uani 1 1 d .
C30 C 0.7459(2) -0.23163(19) 0.04377(18) 0.0682(16) Uani 1 1 d .
H30A H 0.7572 -0.2730 0.0514 0.082 Uiso 1 1 calc R
H30B H 0.7902 -0.2077 0.0428 0.082 Uiso 1 1 calc R
C31 C 0.7060(2) -0.36507(18) 0.17384(19) 0.0586(14) Uani 1 1 d .
C32 C 0.7028(2) -0.32436(17) 0.25337(18) 0.0540(13) Uani 1 1 d .
C33 C 0.6265(2) -0.3974(2) 0.1181(2) 0.0713(17) Uani 1 1 d .
H33A H 0.6034 -0.3602 0.1099 0.086 Uiso 1 1 calc R
H33B H 0.6296 -0.4308 0.0719 0.086 Uiso 1 1 calc R
C34 C 0.5339(3) -0.5004(2) 0.0999(3) 0.093(2) Uani 1 1 d .
H34A H 0.5329 -0.5249 0.0520 0.111 Uiso 1 1 calc R
C35 C 0.4899(3) -0.5296(2) 0.1274(3) 0.119(3) Uani 1 1 d .
H35A H 0.4589 -0.5733 0.0974 0.143 Uiso 1 1 calc R
C36 C 0.4912(3) -0.4964(3) 0.1960(3) 0.120(2) Uani 1 1 d .
H36A H 0.4632 -0.5172 0.2149 0.144 Uiso 1 1 calc R
C37 C 0.5349(3) -0.4305(2) 0.2386(3) 0.094(2) Uani 1 1 d .
H37A H 0.5340 -0.4061 0.2858 0.113 Uiso 1 1 calc R
C38 C 0.5786(2) -0.3999(2) 0.2147(2) 0.0709(16) Uani 1 1 d .
C39 C 0.5799(2) -0.43396(19) 0.1439(2) 0.0702(16) Uani 1 1 d .
C40 C 0.6250(2) -0.3251(2) 0.2590(2) 0.0707(16) Uani 1 1 d .
H40A H 0.6015 -0.2932 0.2409 0.085 Uiso 1 1 calc R
H40B H 0.6280 -0.3089 0.3097 0.085 Uiso 1 1 calc R
O41 O 0.84423(18) -0.36452(14) 0.49013(17) 0.1153(16) Uani 1 1 d D
C42 C 0.8364(3) -0.4300(2) 0.4397(3) 0.192(5) Uani 1 1 d D
H42A H 0.8430 -0.4282 0.3965 0.230 Uiso 1 1 calc R
H42B H 0.7868 -0.4555 0.4262 0.230 Uiso 1 1 calc R
C43 C 0.8870(3) -0.4655(2) 0.4651(4) 0.277(7) Uani 1 1 d D
H43A H 0.8626 -0.5028 0.4721 0.333 Uiso 1 1 calc R
H43B H 0.9134 -0.4861 0.4310 0.333 Uiso 1 1 calc R
C44 C 0.9341(3) -0.4160(2) 0.5296(4) 0.279(6) Uani 1 1 d D
H44A H 0.9849 -0.4157 0.5303 0.335 Uiso 1 1 calc R
H44B H 0.9289 -0.4251 0.5699 0.335 Uiso 1 1 calc R
C45 C 0.9138(3) -0.3525(2) 0.5342(4) 0.336(6) Uani 1 1 d D
H45A H 0.9174 -0.3227 0.5841 0.403 Uiso 1 1 calc R
H45B H 0.9470 -0.3283 0.5200 0.403 Uiso 1 1 calc R
O55 O 0.8687(2) 0.4011(2) 0.67065(17) 0.0603(18) Uani 0.50 1 d PD
C56 C 0.8637(3) 0.3923(4) 0.6042(2) 0.146(6) Uani 0.50 1 d PD
H56A H 0.8256 0.4159 0.5874 0.175 Uiso 0.50 1 calc PR
H56B H 0.8497 0.3424 0.5715 0.175 Uiso 0.50 1 calc PR
C57 C 0.9308(3) 0.4196(5) 0.6026(3) 0.185(6) Uani 0.50 1 d PD
H57A H 0.9559 0.3819 0.5814 0.222 Uiso 0.50 1 calc PR
H57B H 0.9233 0.4471 0.5745 0.222 Uiso 0.50 1 calc PR
C58 C 0.9706(3) 0.4611(4) 0.6737(2) 0.127(6) Uani 0.50 1 d PD
H58A H 0.9693 0.5105 0.6854 0.152 Uiso 0.50 1 calc PR
H58B H 1.0217 0.4550 0.6842 0.152 Uiso 0.50 1 calc PR
C59 C 0.9363(3) 0.4382(3) 0.7122(2) 0.092(4) Uani 0.50 1 d PD
H59A H 0.9656 0.4092 0.7304 0.111 Uiso 0.50 1 calc PR
H59B H 0.9331 0.4787 0.7537 0.111 Uiso 0.50 1 calc PR
O65 O 0.5372(2) -0.07522(19) 0.37644(16) 0.155(2) Uani 1 1 d D
C66 C 0.5345(4) -0.0843(2) 0.4368(2) 0.233(6) Uani 1 1 d D
H66A H 0.5832 -0.0681 0.4734 0.279 Uiso 1 1 calc R
H66B H 0.5008 -0.0568 0.4576 0.279 Uiso 1 1 calc R
C67 C 0.5114(8) -0.1524(2) 0.4172(3) 0.430(13) Uani 1 1 d D
H67A H 0.4778 -0.1583 0.4423 0.516 Uiso 1 1 calc R
H67B H 0.5530 -0.1748 0.4286 0.516 Uiso 1 1 calc R
C68 C 0.4741(4) -0.1824(2) 0.3396(2) 0.272(5) Uani 1 1 d D
H68A H 0.4873 -0.2276 0.3157 0.326 Uiso 1 1 calc R
H68B H 0.4209 -0.1892 0.3289 0.326 Uiso 1 1 calc R
C69 C 0.4965(4) -0.1363(2) 0.3174(2) 0.296(6) Uani 1 1 d D
H69A H 0.4539 -0.1256 0.2886 0.355 Uiso 1 1 calc R
H69B H 0.5264 -0.1565 0.2869 0.355 Uiso 1 1 calc R
O71 O 0.81181(16) 0.16448(14) 0.33530(19) 0.1115(15) Uani 1 1 d D
C72 C 0.8552(2) 0.23103(18) 0.3722(4) 0.149(3) Uani 1 1 d D
H72A H 0.8816 0.2394 0.4219 0.179 Uiso 1 1 calc R
H72B H 0.8913 0.2347 0.3488 0.179 Uiso 1 1 calc R
C73 C 0.8125(3) 0.2793(2) 0.3722(6) 0.262(7) Uani 1 1 d D
H73A H 0.8248 0.3045 0.3457 0.314 Uiso 1 1 calc R
H73B H 0.8199 0.3132 0.4218 0.314 Uiso 1 1 calc R
C74 C 0.7366(3) 0.2422(2) 0.3375(7) 0.306(9) Uani 1 1 d D
H74A H 0.7079 0.2598 0.3700 0.367 Uiso 1 1 calc R
H74B H 0.7141 0.2479 0.2933 0.367 Uiso 1 1 calc R
C75 C 0.7397(2) 0.1749(2) 0.3221(5) 0.272(6) Uani 1 1 d D
H75A H 0.7115 0.1459 0.2713 0.326 Uiso 1 1 calc R
H75B H 0.7176 0.1604 0.3516 0.326 Uiso 1 1 calc R
O75 O 0.85328(17) 0.05806(15) 0.11546(18) 0.1161(16) Uani 1 1 d D
C76 C 0.7841(3) 0.0563(2) 0.0720(4) 0.283(5) Uani 1 1 d D
H76A H 0.7463 0.0301 0.0796 0.340 Uiso 1 1 calc R
H76B H 0.7803 0.0339 0.0209 0.340 Uiso 1 1 calc R
C77 C 0.7751(3) 0.1277(2) 0.0923(6) 0.362(9) Uani 1 1 d D
H77A H 0.7530 0.1353 0.0493 0.435 Uiso 1 1 calc R
H77B H 0.7430 0.1389 0.1221 0.435 Uiso 1 1 calc R
C78 C 0.8425(3) 0.1687(2) 0.1303(4) 0.337(10) Uani 1 1 d D
H78A H 0.8397 0.2115 0.1696 0.405 Uiso 1 1 calc R
H78B H 0.8629 0.1816 0.0988 0.405 Uiso 1 1 calc R
C79 C 0.8868(3) 0.1281(2) 0.1585(4) 0.221(5) Uani 1 1 d D
H79A H 0.9365 0.1362 0.1565 0.266 Uiso 1 1 calc R
H79B H 0.8900 0.1409 0.2088 0.266 Uiso 1 1 calc R
O81 O 0.93298(19) -0.09419(14) 0.07244(15) 0.1213(17) Uani 1 1 d D
C82 C 0.9602(3) -0.1564(2) 0.0613(2) 0.178(4) Uani 1 1 d D
H82A H 0.9203 -0.1967 0.0411 0.214 Uiso 1 1 calc R
H82B H 0.9939 -0.1538 0.1064 0.214 Uiso 1 1 calc R
C83 C 0.9981(3) -0.1607(3) 0.0101(3) 0.593(8) Uani 1 1 d D
H83A H 1.0495 -0.1629 0.0304 0.711 Uiso 1 1 calc R
H83B H 0.9757 -0.2034 -0.0345 0.711 Uiso 1 1 calc R
C84 C 0.9944(3) -0.1042(3) -0.0047(3) 0.760(19) Uani 1 1 d D
H84A H 0.9822 -0.1187 -0.0568 0.912 Uiso 1 1 calc R
H84B H 1.0416 -0.0718 0.0199 0.912 Uiso 1 1 calc R
C85 C 0.9388(3) -0.0712(3) 0.0202(2) 0.290(5) Uani 1 1 d D
H85A H 0.9531 -0.0202 0.0416 0.349 Uiso 1 1 calc R
H85B H 0.8923 -0.0856 -0.0194 0.349 Uiso 1 1 calc R
O85 O 0.83160(19) -0.46183(16) -0.02646(16) 0.1346(19) Uani 1 1 d D
C86 C 0.7944(3) -0.4346(2) -0.0745(2) 0.221(5) Uani 1 1 d D
H86A H 0.7623 -0.4045 -0.0540 0.266 Uiso 1 1 calc R
H86B H 0.7647 -0.4725 -0.1208 0.266 Uiso 1 1 calc R
C87 C 0.8508(3) -0.3944(3) -0.0842(3) 0.395(7) Uani 1 1 d D
H87A H 0.8320 -0.3599 -0.1009 0.474 Uiso 1 1 calc R
H87B H 0.8739 -0.4245 -0.1174 0.474 Uiso 1 1 calc R
C88 C 0.9039(5) -0.3593(2) -0.0044(3) 0.480(11) Uani 1 1 d D
H88A H 0.9524 -0.3386 -0.0005 0.576 Uiso 1 1 calc R
H88B H 0.8837 -0.3240 0.0277 0.576 Uiso 1 1 calc R
C89 C 0.9053(3) -0.4214(2) 0.0089(3) 0.191(4) Uani 1 1 d D
H89A H 0.9397 -0.4483 -0.0111 0.230 Uiso 1 1 calc R
H89B H 0.9205 -0.4085 0.0608 0.230 Uiso 1 1 calc R
O91 O 0.68904(19) -0.57335(16) -0.03368(15) 0.1282(19) Uani 1 1 d D
C92 C 0.6519(3) -0.5899(2) -0.1080(2) 0.206(5) Uani 1 1 d D
H92A H 0.6877 -0.5910 -0.1329 0.247 Uiso 1 1 calc R
H92B H 0.6233 -0.5540 -0.1114 0.247 Uiso 1 1 calc R
C93 C 0.6035(4) -0.6576(3) -0.1417(3) 0.357(9) Uani 1 1 d D
H93A H 0.6285 -0.6953 -0.1630 0.429 Uiso 1 1 calc R
H93B H 0.5596 -0.6594 -0.1793 0.429 Uiso 1 1 calc R
C94 C 0.5843(3) -0.6622(3) -0.0780(3) 0.294(9) Uani 1 1 d D
H94A H 0.5401 -0.6434 -0.0731 0.353 Uiso 1 1 calc R
H94B H 0.5772 -0.7106 -0.0837 0.353 Uiso 1 1 calc R
C95 C 0.6485(3) -0.6193(3) -0.0163(2) 0.251(7) Uani 1 1 d D
H95A H 0.6331 -0.5917 0.0249 0.301 Uiso 1 1 calc R
H95B H 0.6799 -0.6495 -0.0025 0.301 Uiso 1 1 calc R
O95 O 0.8579(2) -0.57697(17) 0.06613(16) 0.144(2) Uani 1 1 d D
C96 C 0.8773(5) -0.6347(2) 0.0215(3) 0.816(17) Uani 1 1 d D
H96A H 0.9232 -0.6209 0.0152 0.979 Uiso 1 1 calc R
H96B H 0.8393 -0.6561 -0.0260 0.979 Uiso 1 1 calc R
C97 C 0.8866(7) -0.6857(2) 0.0529(3) 0.384(10) Uani 1 1 d D
H97A H 0.9237 -0.7131 0.0397 0.460 Uiso 1 1 calc R
H97B H 0.8404 -0.7174 0.0383 0.460 Uiso 1 1 calc R
C98 C 0.9117(5) -0.6373(2) 0.1320(3) 0.354(7) Uani 1 1 d D
H98A H 0.8822 -0.6512 0.1568 0.425 Uiso 1 1 calc R
H98B H 0.9634 -0.6364 0.1551 0.425 Uiso 1 1 calc R
C99 C 0.9006(5) -0.5691(2) 0.1324(3) 0.391(8) Uani 1 1 d D
H99A H 0.8772 -0.5455 0.1683 0.469 Uiso 1 1 calc R
H99B H 0.9482 -0.5399 0.1460 0.469 Uiso 1 1 calc R
O101 O 0.53977(18) 0.06376(18) 0.33706(17) 0.178(2) Uani 1 1 d D
C102 C 0.4918(3) 0.0904(2) 0.3715(3) 0.362(8) Uani 1 1 d D
H10C H 0.4925 0.0732 0.4081 0.434 Uiso 1 1 calc R
H10D H 0.4420 0.0770 0.3371 0.434 Uiso 1 1 calc R
C103 C 0.5159(4) 0.1666(2) 0.4055(3) 0.320(8) Uani 1 1 d D
H10E H 0.5505 0.1828 0.4544 0.384 Uiso 1 1 calc R
H10F H 0.4741 0.1904 0.4077 0.384 Uiso 1 1 calc R
C104 C 0.5520(4) 0.1789(3) 0.3564(3) 0.786(10) Uani 1 1 d D
H10G H 0.5234 0.2025 0.3298 0.943 Uiso 1 1 calc R
H10H H 0.6018 0.2063 0.3831 0.943 Uiso 1 1 calc R
C105 C 0.5523(4) 0.1071(2) 0.3084(3) 0.369(6) Uani 1 1 d D
H10I H 0.5144 0.0931 0.2615 0.443 Uiso 1 1 calc R
H10J H 0.5998 0.1044 0.3006 0.443 Uiso 1 1 calc R
O105 O 0.7078(2) 0.36671(19) 0.6723(4) 0.106(3) Uani 0.50 1 d PD
C106 C 0.7047(2) 0.4256(2) 0.6965(4) 0.215(10) Uani 0.50 1 d PD
H10K H 0.7537 0.4521 0.7095 0.258 Uiso 0.50 1 calc PR
H10L H 0.6940 0.4365 0.7416 0.258 Uiso 0.50 1 calc PR
C107 C 0.6577(3) 0.4506(2) 0.6583(4) 0.549(15) Uani 0.50 1 d PD
H10M H 0.6680 0.4477 0.6149 0.659 Uiso 0.50 1 calc PR
H10N H 0.6521 0.4981 0.6869 0.659 Uiso 0.50 1 calc PR
C108 C 0.6025(2) 0.4017(3) 0.6447(7) 0.468(11) Uani 0.50 1 d PD
H10O H 0.5828 0.4122 0.6847 0.561 Uiso 0.50 1 calc PR
H10P H 0.5631 0.3903 0.5994 0.561 Uiso 0.50 1 calc PR
C109 C 0.6450(2) 0.3541(2) 0.6399(6) 0.232(10) Uani 0.50 1 d PD
H10Q H 0.6225 0.3196 0.6518 0.279 Uiso 0.50 1 calc PR
H10R H 0.6404 0.3300 0.5888 0.279 Uiso 0.50 1 calc PR
O111 O 0.68392(19) -0.30725(19) 0.4807(2) 0.188(3) Uani 1 1 d D
C112 C 0.6297(2) -0.2933(2) 0.4926(2) 0.70(2) Uani 1 1 d D
H11A H 0.5952 -0.2979 0.4469 0.836 Uiso 1 1 calc R
H11B H 0.6412 -0.2434 0.5254 0.836 Uiso 1 1 calc R
C113 C 0.5924(2) -0.3245(3) 0.5193(3) 0.653(12) Uani 1 1 d D
H11C H 0.5597 -0.3683 0.4827 0.784 Uiso 1 1 calc R
H11D H 0.5656 -0.2938 0.5478 0.784 Uiso 1 1 calc R
C114 C 0.6534(3) -0.3340(3) 0.5598(2) 0.555(18) Uani 1 1 d D
H11E H 0.6792 -0.2922 0.6043 0.667 Uiso 1 1 calc R
H11F H 0.6458 -0.3745 0.5701 0.667 Uiso 1 1 calc R
C115 C 0.6836(2) -0.3457(2) 0.5084(2) 0.896(12) Uani 1 1 d D
H11G H 0.7347 -0.3486 0.5286 1.076 Uiso 1 1 calc R
H11H H 0.6592 -0.3921 0.4698 1.076 Uiso 1 1 calc R
O115 O 0.3916(3) -0.0854(3) 0.1081(4) 0.117(3) Uani 0.50 1 d P
C116 C 0.3295(8) -0.0696(7) 0.1491(9) 0.215(9) Uani 0.50 1 d P
H11I H 0.3528 -0.0522 0.2014 0.258 Uiso 0.50 1 calc PR
H11J H 0.3035 -0.0344 0.1396 0.258 Uiso 0.50 1 calc PR
C117 C 0.2873(7) -0.1241(8) 0.1257(7) 0.236(6) Uani 0.50 1 d P
H11K H 0.2373 -0.1178 0.1065 0.283 Uiso 0.50 1 calc PR
H11L H 0.2892 -0.1380 0.1648 0.283 Uiso 0.50 1 calc PR
C118 C 0.3057(8) -0.1793(6) 0.0683(10) 0.206(10) Uani 0.50 1 d P
H11M H 0.3050 -0.2225 0.0747 0.248 Uiso 0.50 1 calc PR
H11N H 0.2718 -0.1889 0.0205 0.248 Uiso 0.50 1 calc PR
C119 C 0.3679(5) -0.1540(6) 0.0760(7) 0.148(6) Uani 0.50 1 d P
H11O H 0.3729 -0.1709 0.0278 0.177 Uiso 0.50 1 calc PR
H11P H 0.4019 -0.1741 0.1029 0.177 Uiso 0.50 1 calc PR
O120 O 0.5081(7) -0.0618(6) -0.0138(6) 0.117(5) Uani 0.25 1 d P
O125 O 0.4945(5) 0.0607(4) 0.1203(6) 0.085(4) Uani 0.25 1 d P
C121 C 0.5694(5) -0.0797(4) -0.04568(18) 0.171(7) Uani 0.50 1 d PD
H12A H 0.6135 -0.0433 -0.0173 0.205 Uiso 0.50 1 calc PR
H12B H 0.5814 -0.1245 -0.0477 0.205 Uiso 0.50 1 calc PR
C122 C 0.4700(8) -0.1032(5) -0.06172(18) 0.310(7) Uani 0.50 1 d PD
H12C H 0.4221 -0.1012 -0.0546 0.372 Uiso 0.50 1 calc PR
H12D H 0.4830 -0.1467 -0.0603 0.372 Uiso 0.50 1 calc PR
C123 C 0.4597(7) 0.0833(4) 0.11554(19) 0.202(6) Uani 0.50 1 d P
H12E H 0.4529 0.0372 0.1155 0.242 Uiso 0.50 1 calc PR
H12F H 0.4381 0.1150 0.1492 0.242 Uiso 0.50 1 calc PR
C124 C 0.5425(5) 0.1131(4) 0.13381(18) 0.140(5) Uani 0.50 1 d P
H12G H 0.5580 0.1622 0.1689 0.168 Uiso 0.50 1 calc PR
H12H H 0.5758 0.0845 0.1483 0.168 Uiso 0.50 1 calc PR
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Er Er -0.2586 4.9576 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C1 Er1 C2 36.10(9) . .
C1 Er1 B6 36.56(14) . .
C2 Er1 B6 66.00(13) . .
C1 Er1 C11 128.79(13) . .
C2 Er1 C11 117.19(12) . .
B6 Er1 C11 150.64(12) . .
C1 Er1 B16 111.67(14) . .
C2 Er1 B16 126.91(16) . .
B6 Er1 B16 114.81(13) . .
C11 Er1 B16 37.91(10) . .
C1 Er1 C12 153.88(11) . .
C2 Er1 C12 122.19(10) . .
B6 Er1 C12 169.33(14) . .
C11 Er1 C12 35.09(12) . .
B16 Er1 C12 66.91(12) . .
C1 Er1 B3 66.69(13) . .
C2 Er1 B3 36.82(14) . .
B6 Er1 B3 80.56(13) . .
C11 Er1 B3 120.43(11) . .
B16 Er1 B3 153.04(14) . .
C12 Er1 B3 102.29(12) . .
C1 Er1 B13 165.11(13) . .
C2 Er1 B13 139.62(11) . .
B6 Er1 B13 132.83(14) . .
C11 Er1 B13 65.75(14) . .
B16 Er1 B13 81.79(15) . .
C12 Er1 B13 36.56(12) . .
B3 Er1 B13 104.40(14) . .
C1 Er1 B15 116.19(13) . .
C2 Er1 B15 150.18(14) . .
B6 Er1 B15 95.59(14) . .
C11 Er1 B15 67.49(12) . .
B16 Er1 B15 38.13(15) . .
C12 Er1 B15 79.59(12) . .
B3 Er1 B15 168.36(16) . .
B13 Er1 B15 70.14(14) . .
C1 Er1 B14 137.99(11) . .
C2 Er1 B14 162.43(13) . .
B6 Er1 B14 102.83(14) . .
C11 Er1 B14 79.38(14) . .
B16 Er1 B14 69.48(16) . .
C12 Er1 B14 67.46(12) . .
B3 Er1 B14 131.08(15) . .
B13 Er1 B14 39.22(11) . .
B15 Er1 B14 38.86(15) . .
C1 Er1 B5 67.01(14) . .
C2 Er1 B5 79.01(13) . .
B6 Er1 B5 38.10(14) . .
C11 Er1 B5 163.06(15) . .
B16 Er1 B5 136.85(12) . .
C12 Er1 B5 133.16(13) . .
B3 Er1 B5 68.95(12) . .
B13 Er1 B5 98.98(14) . .
B15 Er1 B5 101.25(13) . .
B14 Er1 B5 84.03(14) . .
C1 Er1 Na2 87.81(7) . .
C2 Er1 Na2 119.48(7) . .
B6 Er1 Na2 53.60(11) . .
C11 Er1 Na2 116.98(8) . .
B16 Er1 Na2 85.09(10) . .
C12 Er1 Na2 117.38(8) . .
B3 Er1 Na2 121.04(9) . .
B13 Er1 Na2 87.05(8) . .
B15 Er1 Na2 49.69(10) . .
B14 Er1 Na2 50.19(8) . .
B5 Er1 Na2 52.10(8) . .
C21 Er2 C31 114.09(11) . .
C21 Er2 B33 113.95(13) . .
C31 Er2 B33 37.51(15) . .
C21 Er2 B26 38.01(15) . .
C31 Er2 B26 116.14(13) . .
B33 Er2 B26 140.53(12) . .
C21 Er2 C22 35.49(13) . .
C31 Er2 C22 128.15(11) . .
B33 Er2 C22 104.53(15) . .
B26 Er2 C22 67.18(16) . .
C21 Er2 C32 130.29(12) . .
C31 Er2 C32 35.52(12) . .
B33 Er2 C32 66.75(15) . .
B26 Er2 C32 107.84(15) . .
C22 Er2 C32 160.69(9) . .
C21 Er2 B36 155.44(14) . .
C31 Er2 B36 65.82(12) . .
B33 Er2 B36 81.43(15) . .
B26 Er2 B36 118.24(16) . .
C22 Er2 B36 162.94(11) . .
C32 Er2 B36 36.20(10) . .
C21 Er2 B23 65.70(12) . .
C31 Er2 B23 152.25(14) . .
B33 Er2 B23 115.37(16) . .
B26 Er2 B23 81.46(16) . .
C22 Er2 B23 36.22(10) . .
C32 Er2 B23 162.87(10) . .
B36 Er2 B23 126.77(12) . .
C21 Er2 B25 69.51(13) . .
C31 Er2 B25 137.29(15) . .
B33 Er2 B25 174.24(18) . .
B26 Er2 B25 39.90(12) . .
C22 Er2 B25 80.97(15) . .
C32 Er2 B25 107.50(15) . .
B36 Er2 B25 93.78(15) . .
B23 Er2 B25 70.08(16) . .
C21 Er2 B34 134.35(15) . .
C31 Er2 B34 68.71(13) . .
B33 Er2 B34 39.65(11) . .
B26 Er2 B34 171.57(18) . .
C22 Er2 B34 104.39(15) . .
C32 Er2 B34 80.15(14) . .
B36 Er2 B34 69.77(15) . .
B23 Er2 B34 91.51(15) . .
B25 Er2 B34 141.25(11) . .
C21 Er2 B35 163.04(14) . .
C31 Er2 B35 79.38(11) . .
B33 Er2 B35 69.85(12) . .
B26 Er2 B35 146.66(13) . .
C22 Er2 B35 128.16(13) . .
C32 Er2 B35 66.67(13) . .
B36 Er2 B35 38.37(15) . .
B23 Er2 B35 97.52(13) . .
B25 Er2 B35 108.26(12) . .
B34 Er2 B35 38.68(13) . .
C21 Er2 B24 79.43(12) . .
C31 Er2 B24 164.98(14) . .
B33 Er2 B24 144.69(14) . .
B26 Er2 B24 69.98(13) . .
C22 Er2 B24 66.61(13) . .
C32 Er2 B24 130.66(13) . .
B36 Er2 B24 99.16(14) . .
B23 Er2 B24 38.03(15) . .
B25 Er2 B24 39.06(14) . .
B34 Er2 B24 107.14(13) . .
B35 Er2 B24 88.67(13) . .
B40 Na1 B13 134.76(15) . 2_756
B40 Na1 B39 34.40(15) . .
B13 Na1 B39 104.12(14) 2_756 .
B40 Na1 B18 157.69(14) . 2_756
B13 Na1 B18 35.69(13) 2_756 2_756
B39 Na1 B18 124.23(15) . 2_756
B40 Na1 B9 117.49(14) . .
B13 Na1 B9 98.39(12) 2_756 .
B39 Na1 B9 151.18(14) . .
B18 Na1 B9 84.41(12) 2_756 .
B40 Na1 B10 86.34(13) . .
B13 Na1 B10 127.28(11) 2_756 .
B39 Na1 B10 120.60(13) . .
B18 Na1 B10 115.07(12) 2_756 .
B9 Na1 B10 31.38(11) . .
B40 Na1 B17 125.59(13) . 2_756
B13 Na1 B17 34.38(12) 2_756 2_756
B39 Na1 B17 91.69(13) . 2_756
B18 Na1 B17 32.55(11) 2_756 2_756
B9 Na1 B17 116.88(11) . 2_756
B10 Na1 B17 147.54(10) . 2_756
B40 Na1 Na7 120.00(11) . .
B13 Na1 Na7 57.47(8) 2_756 .
B39 Na1 Na7 122.77(11) . .
B18 Na1 Na7 74.34(9) 2_756 .
B9 Na1 Na7 57.06(10) . .
B10 Na1 Na7 74.62(10) . .
B17 Na1 Na7 91.27(9) 2_756 .
B40 Na1 Na3 79.54(12) . .
B13 Na1 Na3 59.43(9) 2_756 .
B39 Na1 Na3 63.16(11) . .
B18 Na1 Na3 95.07(12) 2_756 .
B9 Na1 Na3 116.11(11) . .
B10 Na1 Na3 116.72(11) . .
B17 Na1 Na3 79.02(10) 2_756 .
Na7 Na1 Na3 61.48(3) . .
B40 Na1 Na8 44.21(11) . .
B13 Na1 Na8 160.80(10) 2_756 .
B39 Na1 Na8 78.51(11) . .
B18 Na1 Na8 154.29(12) 2_756 .
B9 Na1 Na8 74.41(9) . .
B10 Na1 Na8 43.07(7) . .
B17 Na1 Na8 163.86(9) 2_756 .
Na7 Na1 Na8 104.80(4) . .
Na3 Na1 Na8 107.17(5) . .
B15 Na2 B14 34.45(13) . .
B15 Na2 B36 154.68(15) . .
B14 Na2 B36 168.73(13) . .
B15 Na2 B25 99.18(13) . .
B14 Na2 B25 109.47(13) . .
B36 Na2 B25 78.39(12) . .
B15 Na2 B5 85.53(12) . .
B14 Na2 B5 72.02(12) . .
B36 Na2 B5 99.26(12) . .
B25 Na2 B5 173.52(14) . .
B15 Na2 Na6 50.67(9) . .
B14 Na2 Na6 71.89(9) . .
B36 Na2 Na6 118.97(9) . .
B25 Na2 Na6 49.04(9) . .
B5 Na2 Na6 136.09(9) . .
B15 Na2 Er2 141.35(10) . .
B14 Na2 Er2 140.90(12) . .
B36 Na2 Er2 41.80(10) . .
B25 Na2 Er2 42.18(8) . .
B5 Na2 Er2 133.02(9) . .
Na6 Na2 Er2 90.89(4) . .
B15 Na2 Er1 42.75(9) . .
B14 Na2 Er1 43.14(10) . .
B36 Na2 Er1 133.73(11) . .
B25 Na2 Er1 141.88(9) . .
B5 Na2 Er1 43.18(8) . .
Na6 Na2 Er1 92.95(4) . .
Er2 Na2 Er1 175.44(5) . .
B15 Na2 Na7 87.05(9) . .
B14 Na2 Na7 54.83(9) . .
B36 Na2 Na7 113.98(9) . .
B25 Na2 Na7 130.29(11) . .
B5 Na2 Na7 45.07(9) . .
Na6 Na2 Na7 122.85(4) . .
Er2 Na2 Na7 116.77(4) . .
Er1 Na2 Na7 62.901(17) . .
B15 Na2 Na4 70.08(12) . .
B14 Na2 Na4 49.28(11) . .
B36 Na2 Na4 130.39(12) . .
B25 Na2 Na4 70.68(10) . .
B5 Na2 Na4 107.13(9) . .
Na6 Na2 Na4 64.80(5) . .
Er2 Na2 Na4 91.69(4) . .
Er1 Na2 Na4 92.18(3) . .
Na7 Na2 Na4 65.42(3) . .
B15 Na2 Na3 132.38(12) . .
B14 Na2 Na3 100.45(11) . .
B36 Na2 Na3 72.46(11) . .
B25 Na2 Na3 80.01(11) . .
B5 Na2 Na3 93.52(9) . .
Na6 Na2 Na3 116.92(6) . .
Er2 Na2 Na3 55.80(3) . .
Er1 Na2 Na3 124.09(4) . .
Na7 Na2 Na3 61.19(3) . .
Na4 Na2 Na3 64.81(4) . .
B4 Na3 B34 167.19(14) 2_756 .
B4 Na3 B3 33.34(13) 2_756 2_756
B34 Na3 B3 151.06(14) . 2_756
B4 Na3 Er2 142.08(10) 2_756 .
B34 Na3 Er2 44.97(9) . .
B3 Na3 Er2 147.59(10) 2_756 .
B4 Na3 Na5 73.45(10) 2_756 .
B34 Na3 Na5 119.05(10) . .
B3 Na3 Na5 53.91(9) 2_756 .
Er2 Na3 Na5 94.16(4) . .
B4 Na3 Na1 96.67(10) 2_756 .
B34 Na3 Na1 70.87(10) . .
B3 Na3 Na1 117.87(9) 2_756 .
Er2 Na3 Na1 93.22(4) . .
Na5 Na3 Na1 170.08(4) . .
B4 Na3 Na2 90.77(10) 2_756 .
B34 Na3 Na2 87.01(11) . .
B3 Na3 Na2 121.93(9) 2_756 .
Er2 Na3 Na2 59.98(3) . .
Na5 Na3 Na2 111.46(5) . .
Na1 Na3 Na2 66.92(4) . .
B4 Na3 Na7 43.98(10) 2_756 .
B34 Na3 Na7 125.82(11) . .
B3 Na3 Na7 76.04(8) 2_756 .
Er2 Na3 Na7 117.73(4) . .
Na5 Na3 Na7 112.21(4) . .
Na1 Na3 Na7 58.26(3) . .
Na2 Na3 Na7 57.98(3) . .
O71 Na4 B19 96.00(15) . .
O71 Na4 B28 96.98(13) . .
B19 Na4 B28 119.68(13) . .
O71 Na4 B29 100.46(13) . .
B19 Na4 B29 86.51(14) . .
B28 Na4 B29 33.20(14) . .
O71 Na4 B9 96.16(13) . 2_756
B19 Na4 B9 117.36(12) . 2_756
B28 Na4 B9 119.30(13) . 2_756
B29 Na4 B9 149.25(13) . 2_756
O71 Na4 B8 95.27(14) . 2_756
B19 Na4 B8 149.57(12) . 2_756
B28 Na4 B8 86.74(12) . 2_756
B29 Na4 B8 118.97(13) . 2_756
B9 Na4 B8 33.09(11) 2_756 2_756
O71 Na4 B18 90.41(14) . .
B19 Na4 B18 33.89(11) . .
B28 Na4 B18 153.46(15) . .
B29 Na4 B18 120.37(15) . .
B9 Na4 B18 84.93(12) 2_756 .
B8 Na4 B18 118.02(11) 2_756 .
O71 Na4 B14 122.55(13) . .
B19 Na4 B14 33.82(13) . .
B28 Na4 B14 127.36(14) . .
B29 Na4 B14 100.74(15) . .
B9 Na4 B14 91.66(13) 2_756 .
B8 Na4 B14 118.75(13) 2_756 .
B18 Na4 B14 33.77(13) . .
O71 Na4 Na2 154.05(11) . .
B19 Na4 Na2 63.57(11) . .
B28 Na4 Na2 81.43(11) . .
B29 Na4 Na2 64.39(12) . .
B9 Na4 Na2 107.26(11) 2_756 .
B8 Na4 Na2 110.43(11) 2_756 .
B18 Na4 Na2 80.91(11) . .
B14 Na4 Na2 47.52(8) . .
O81 Na5 O75 98.14(14) . .
O81 Na5 B28 135.94(12) . .
O75 Na5 B28 100.08(15) . .
O81 Na5 B8 122.48(13) . 2_756
O75 Na5 B8 105.63(13) . 2_756
B28 Na5 B8 90.32(13) . 2_756
O81 Na5 B23 105.40(12) . .
O75 Na5 B23 129.53(14) . .
B28 Na5 B23 35.33(12) . .
B8 Na5 B23 98.28(14) 2_756 .
O81 Na5 B27 105.51(12) . .
O75 Na5 B27 95.58(13) . .
B28 Na5 B27 33.10(11) . .
B8 Na5 B27 122.78(15) 2_756 .
B23 Na5 B27 35.41(13) . .
O81 Na5 B7 94.87(13) . 2_756
O75 Na5 B7 94.53(13) . 2_756
B28 Na5 B7 123.03(13) . 2_756
B8 Na5 B7 32.89(14) 2_756 2_756
B23 Na5 B7 126.30(14) . 2_756
B27 Na5 B7 155.66(15) . 2_756
O81 Na5 Na3 96.75(10) . .
O75 Na5 Na3 164.95(11) . .
B28 Na5 Na3 70.26(11) . .
B8 Na5 Na3 63.99(11) 2_756 .
B23 Na5 Na3 47.08(9) . .
B27 Na5 Na3 82.49(11) . .
B7 Na5 Na3 82.02(11) 2_756 .
O65 Na6 O101 92.03(16) . .
O65 Na6 B29 128.72(13) . .
O101 Na6 B29 106.19(16) . .
O65 Na6 B19 131.64(16) . .
O101 Na6 B19 107.65(14) . .
B29 Na6 B19 88.26(14) . .
O65 Na6 B25 96.29(14) . .
O101 Na6 B25 128.09(14) . .
B29 Na6 B25 35.50(15) . .
B19 Na6 B25 104.22(13) . .
O65 Na6 B15 99.94(16) . .
O101 Na6 B15 128.83(13) . .
B29 Na6 B15 104.12(14) . .
B19 Na6 B15 34.03(16) . .
B25 Na6 B15 99.95(13) . .
O65 Na6 B20 102.48(15) . .
O101 Na6 B20 96.00(13) . .
B29 Na6 B20 121.94(14) . .
B19 Na6 B20 33.68(14) . .
B25 Na6 B20 131.24(13) . .
B15 Na6 B20 32.87(13) . .
O65 Na6 B30 100.06(13) . .
O101 Na6 B30 93.35(14) . .
B29 Na6 B30 33.29(12) . .
B19 Na6 B30 121.54(15) . .
B25 Na6 B30 34.74(14) . .
B15 Na6 B30 132.05(14) . .
B20 Na6 B30 155.22(15) . .
O65 Na6 Na2 96.63(13) . .
O101 Na6 Na2 171.34(13) . .
B29 Na6 Na2 68.10(11) . .
B19 Na6 Na2 66.43(10) . .
B25 Na6 Na2 50.84(9) . .
B15 Na6 Na2 49.64(9) . .
B20 Na6 Na2 82.28(10) . .
B30 Na6 Na2 85.03(10) . .
B5 Na7 B4 36.92(10) 2_756 2_756
B5 Na7 Na2 128.72(8) 2_756 .
B4 Na7 Na2 95.15(8) 2_756 .
B5 Na7 Na2 51.28(8) 2_756 2_756
B4 Na7 Na2 84.85(8) 2_756 2_756
Na2 Na7 Na2 180.0 . 2_756
B5 Na7 Na1 123.37(8) 2_756 .
B4 Na7 Na1 100.74(9) 2_756 .
Na2 Na7 Na1 68.86(3) . .
Na2 Na7 Na1 111.14(3) 2_756 .
B5 Na7 Na1 56.63(8) 2_756 2_756
B4 Na7 Na1 79.26(9) 2_756 2_756
Na2 Na7 Na1 111.14(3) . 2_756
Na2 Na7 Na1 68.86(3) 2_756 2_756
Na1 Na7 Na1 180.000(1) . 2_756
B5 Na7 Na3 82.16(7) 2_756 .
B4 Na7 Na3 46.52(8) 2_756 .
Na2 Na7 Na3 60.83(3) . .
Na2 Na7 Na3 119.17(3) 2_756 .
Na1 Na7 Na3 60.26(3) . .
Na1 Na7 Na3 119.74(3) 2_756 .
B5 Na7 Na3 97.84(7) 2_756 2_756
B4 Na7 Na3 133.48(8) 2_756 2_756
Na2 Na7 Na3 119.17(3) . 2_756
Na2 Na7 Na3 60.83(3) 2_756 2_756
Na1 Na7 Na3 119.74(3) . 2_756
Na1 Na7 Na3 60.26(3) 2_756 2_756
Na3 Na7 Na3 180.000(1) . 2_756
O111 Na8 O41 91.65(16) . .
O111 Na8 B10 129.10(14) . .
O41 Na8 B10 97.32(13) . .
O111 Na8 B40 138.72(13) . .
O41 Na8 B40 94.44(15) . .
B10 Na8 B40 90.50(14) . .
O111 Na8 B41 104.42(14) . .
O41 Na8 B41 95.67(14) . .
B10 Na8 B41 124.15(16) . .
B40 Na8 B41 34.36(13) . .
O111 Na8 B11 95.88(14) . .
O41 Na8 B11 94.60(13) . .
B10 Na8 B11 33.66(14) . .
B40 Na8 B11 124.14(14) . .
B41 Na8 B11 156.92(16) . .
O111 Na8 B36 115.44(14) . .
O41 Na8 B36 126.40(14) . .
B10 Na8 B36 98.69(14) . .
B40 Na8 B36 34.96(13) . .
B41 Na8 B36 35.35(13) . .
B11 Na8 B36 124.69(14) . .
O111 Na8 B6 104.61(14) . .
O41 Na8 B6 126.02(12) . .
B10 Na8 B6 34.19(12) . .
B40 Na8 B6 104.40(14) . .
B41 Na8 B6 127.46(16) . .
B11 Na8 B6 33.76(14) . .
B36 Na8 B6 92.36(13) . .
O111 Na8 Na1 177.09(11) . .
O41 Na8 Na1 90.59(11) . .
B10 Na8 Na1 48.68(10) . .
B40 Na8 Na1 42.84(8) . .
B41 Na8 Na1 77.20(11) . .
B11 Na8 Na1 82.08(10) . .
B36 Na8 Na1 64.47(9) . .
B6 Na8 Na1 72.54(10) . .
O91 Na9 O85 98.38(14) . .
O91 Na9 O95 94.06(14) . .
O85 Na9 O95 103.59(17) . .
O91 Na9 B37 111.68(16) . .
O85 Na9 B37 134.52(15) . .
O95 Na9 B37 107.28(16) . .
O91 Na9 B38 147.91(17) . .
O85 Na9 B38 106.37(14) . .
O95 Na9 B38 99.51(13) . .
B37 Na9 B38 36.40(14) . .
O91 Na9 B33 121.62(15) . .
O85 Na9 B33 97.90(15) . .
O95 Na9 B33 134.84(13) . .
B37 Na9 B33 37.31(16) . .
B38 Na9 B33 35.77(13) . .
O91 Na9 C89 122.84(15) . .
O85 Na9 C89 25.22(11) . .
O95 Na9 C89 94.30(16) . .
B37 Na9 C89 119.20(14) . .
B38 Na9 C89 85.13(14) . .
B33 Na9 C89 88.61(14) . .
O105 Na10 O55 86.6(2) . .
O105 Na10 B17 146.81(18) . .
O55 Na10 B17 98.70(17) . .
O105 Na10 B21 104.77(15) . .
O55 Na10 B21 145.62(18) . .
B17 Na10 B21 54.63(14) . .
O105 Na10 B22 108.92(17) . .
O55 Na10 B22 108.19(17) . .
B17 Na10 B22 38.29(12) . .
B21 Na10 B22 37.48(16) . .
O105 Na10 C19 119.7(2) . .
O55 Na10 C19 136.40(14) . .
B17 Na10 C19 78.12(15) . .
B21 Na10 C19 65.29(14) . .
B22 Na10 C19 95.89(15) . .
O105 Na10 C18 141.4(2) . .
O55 Na10 C18 113.18(14) . .
B17 Na10 C18 65.68(13) . .
B21 Na10 C18 77.87(13) . .
B22 Na10 C18 96.27(14) . .
C19 Na10 C18 26.06(12) . .
O105 Na10 C14 95.7(2) . .
O55 Na10 C14 130.23(13) . .
B17 Na10 C14 105.12(17) . .
B21 Na10 C14 81.62(16) . .
B22 Na10 C14 117.65(17) . .
C19 Na10 C14 27.00(13) . .
C18 Na10 C14 46.03(14) . .
O105 Na10 C56 86.6(2) . .
O55 Na10 C56 22.13(11) . .
B17 Na10 C56 86.61(18) . .
B21 Na10 C56 124.57(17) . .
B22 Na10 C56 87.23(17) . .
C19 Na10 C56 150.28(15) . .
C18 Na10 C56 124.23(15) . .
C14 Na10 C56 152.28(13) . .
O125 Na11 O120 87.1(5) . .
O125 Na11 O115 96.0(4) . .
O120 Na11 O115 115.1(4) . .
O125 Na11 B31 150.9(3) . .
O120 Na11 B31 95.3(4) . .
O115 Na11 B31 109.0(3) . .
O125 Na11 B32 114.1(3) . .
O120 Na11 B32 99.5(4) . .
O115 Na11 B32 135.2(3) . .
B31 Na11 B32 36.84(14) . .
O125 Na11 B30 126.9(3) . .
O120 Na11 B30 128.7(4) . .
O115 Na11 B30 99.7(3) . .
B31 Na11 B30 35.71(15) . .
B32 Na11 B30 35.67(17) . .
O125 Na11 C122 97.0(4) . .
O120 Na11 C122 17.7(4) . .
O115 Na11 C122 99.4(3) . .
B31 Na11 C122 93.5(3) . .
B32 Na11 C122 108.3(3) . .
B30 Na11 C122 129.2(3) . .
C2 B3 B4 119.1(3) . .
C2 B3 B8 106.6(3) . .
B4 B3 B8 60.8(3) . .
C2 B3 B7 55.1(3) . .
B4 B3 B7 109.0(3) . .
B8 B3 B7 58.1(3) . .
C2 B3 Er1 68.6(2) . .
B4 B3 Er1 74.9(2) . .
B8 B3 Er1 126.0(2) . .
B7 B3 Er1 117.4(2) . .
C2 B3 Na3 155.7(3) . 2_756
B4 B3 Na3 71.9(2) . 2_756
B8 B3 Na3 97.7(2) . 2_756
B7 B3 Na3 145.7(2) . 2_756
Er1 B3 Na3 96.19(17) . 2_756
B3 B4 B8 60.6(3) . .
B3 B4 B9 110.1(4) . .
B8 B4 B9 58.0(2) . .
B3 B4 B5 116.4(3) . .
B8 B4 B5 107.3(3) . .
B9 B4 B5 58.9(2) . .
B3 B4 Na3 74.78(18) . 2_756
B8 B4 Na3 99.24(18) . 2_756
B9 B4 Na3 143.1(2) . 2_756
B5 B4 Na3 153.4(3) . 2_756
B6 B5 B10 61.6(3) . .
B6 B5 B9 110.2(4) . .
B10 B5 B9 57.2(2) . .
B6 B5 B4 116.1(3) . .
B10 B5 B4 107.6(3) . .
B9 B5 B4 60.1(2) . .
B6 B5 Er1 66.33(19) . .
B10 B5 Er1 119.8(3) . .
B9 B5 Er1 122.3(2) . .
B4 B5 Er1 70.57(19) . .
B6 B5 Na2 75.94(19) . .
B10 B5 Na2 108.93(18) . .
B9 B5 Na2 152.8(2) . .
B4 B5 Na2 142.6(3) . .
Er1 B5 Na2 84.72(12) . .
C1 B6 B5 120.5(3) . .
C1 B6 B10 107.5(3) . .
B5 B6 B10 60.2(3) . .
C1 B6 B11 56.3(3) . .
B5 B6 B11 108.4(3) . .
B10 B6 B11 57.5(3) . .
C1 B6 Er1 69.37(19) . .
B5 B6 Er1 75.6(2) . .
B10 B6 Er1 126.5(2) . .
B11 B6 Er1 118.8(2) . .
C1 B6 Na8 115.6(3) . .
B5 B6 Na8 108.4(2) . .
B10 B6 Na8 63.41(17) . .
B11 B6 Na8 70.95(18) . .
Er1 B6 Na8 168.33(17) . .
C2 B7 B8 108.3(4) . .
C2 B7 B3 55.7(3) . .
B8 B7 B3 59.4(3) . .
C2 B7 B12 111.9(3) . .
B8 B7 B12 60.1(3) . .
B3 B7 B12 104.8(4) . .
C2 B7 Na5 118.7(2) . 2_756
B8 B7 Na5 67.26(18) . 2_756
B3 B7 Na5 75.70(18) . 2_756
B12 B7 Na5 115.1(3) . 2_756
B9 B8 B7 115.8(3) . .
B9 B8 B3 111.4(3) . .
B7 B8 B3 62.5(3) . .
B9 B8 B4 61.6(3) . .
B7 B8 B4 110.8(3) . .
B3 B8 B4 58.6(3) . .
B9 B8 B12 61.0(3) . .
B7 B8 B12 62.7(3) . .
B3 B8 B12 109.1(3) . .
B4 B8 B12 106.8(3) . .
B9 B8 Na5 162.5(3) . 2_756
B7 B8 Na5 79.8(2) . 2_756
B3 B8 Na5 82.14(18) . 2_756
B4 B8 Na5 122.1(2) . 2_756
B12 B8 Na5 126.5(3) . 2_756
B9 B8 Na4 73.4(2) . 2_756
B7 B8 Na4 158.7(3) . 2_756
B3 B8 Na4 134.3(3) . 2_756
B4 B8 Na4 90.5(3) . 2_756
B12 B8 Na4 111.9(2) . 2_756
Na5 B8 Na4 89.29(12) 2_756 2_756
B10 B9 B8 114.1(4) . .
B10 B9 B5 61.4(3) . .
B8 B9 B5 111.0(3) . .
B10 B9 B12 60.0(3) . .
B8 B9 B12 61.4(3) . .
B5 B9 B12 105.8(3) . .
B10 B9 B4 111.9(3) . .
B8 B9 B4 60.5(3) . .
B5 B9 B4 61.0(2) . .
B12 B9 B4 106.3(3) . .
B10 B9 Na4 157.7(3) . 2_756
B8 B9 Na4 73.5(2) . 2_756
B5 B9 Na4 137.6(3) . 2_756
B12 B9 Na4 112.3(2) . 2_756
B4 B9 Na4 90.2(2) . 2_756
B10 B9 Na1 74.9(2) . .
B8 B9 Na1 165.6(3) . .
B5 B9 Na1 83.03(19) . .
B12 B9 Na1 119.1(2) . .
B4 B9 Na1 128.3(3) . .
Na4 B9 Na1 94.04(14) 2_756 .
B9 B10 B11 116.5(3) . .
B9 B10 B12 62.7(3) . .
B11 B10 B12 62.2(3) . .
B9 B10 B5 61.4(3) . .
B11 B10 B5 110.4(3) . .
B12 B10 B5 107.8(3) . .
B9 B10 B6 110.8(3) . .
B11 B10 B6 62.0(3) . .
B12 B10 B6 108.3(3) . .
B5 B10 B6 58.1(3) . .
B9 B10 Na8 161.6(3) . .
B11 B10 Na8 80.7(2) . .
B12 B10 Na8 126.7(3) . .
B5 B10 Na8 120.9(2) . .
B6 B10 Na8 82.41(18) . .
B9 B10 Na1 73.7(2) . .
B11 B10 Na1 166.1(3) . .
B12 B10 Na1 120.1(3) . .
B5 B10 Na1 82.5(2) . .
B6 B10 Na1 125.0(3) . .
Na8 B10 Na1 88.24(11) . .
C1 B11 B10 108.9(4) . .
C1 B11 B12 113.4(3) . .
B10 B11 B12 59.1(3) . .
C1 B11 B6 54.8(3) . .
B10 B11 B6 60.6(3) . .
B12 B11 B6 105.0(4) . .
C1 B11 Na8 118.1(2) . .
B10 B11 Na8 65.64(17) . .
B12 B11 Na8 113.0(2) . .
B6 B11 Na8 75.29(17) . .
B10 B12 B9 57.3(3) . .
B10 B12 B11 58.7(3) . .
B9 B12 B11 108.9(3) . .
B10 B12 B8 108.3(4) . .
B9 B12 B8 57.5(3) . .
B11 B12 B8 124.0(4) . .
B10 B12 B7 124.6(4) . .
B9 B12 B7 108.0(3) . .
B11 B12 B7 84.9(3) . .
B8 B12 B7 57.2(3) . .
C12 B13 B14 119.3(3) . .
C12 B13 B17 54.9(3) . .
B14 B13 B17 107.7(3) . .
C12 B13 B18 105.6(3) . .
B14 B13 B18 60.0(2) . .
B17 B13 B18 57.2(2) . .
C12 B13 Er1 71.3(2) . .
B14 B13 Er1 74.0(2) . .
B17 B13 Er1 119.2(3) . .
B18 B13 Er1 125.1(2) . .
C12 B13 Na1 117.9(2) . 2_756
B14 B13 Na1 113.7(3) . 2_756
B17 B13 Na1 80.5(2) . 2_756
B18 B13 Na1 74.8(2) . 2_756
Er1 B13 Na1 156.80(18) . 2_756
B19 B14 B13 110.9(3) . .
B19 B14 B15 59.3(3) . .
B13 B14 B15 116.0(3) . .
B19 B14 B18 59.0(2) . .
B13 B14 B18 61.0(2) . .
B15 B14 B18 108.4(3) . .
B19 B14 Er1 121.5(3) . .
B13 B14 Er1 66.8(2) . .
B15 B14 Er1 69.9(2) . .
B18 B14 Er1 119.8(2) . .
B19 B14 Na2 102.49(19) . .
B13 B14 Na2 144.8(3) . .
B15 B14 Na2 72.03(19) . .
B18 B14 Na2 152.6(3) . .
Er1 B14 Na2 86.67(14) . .
B19 B14 Na4 68.1(2) . .
B13 B14 Na4 119.1(3) . .
B15 B14 Na4 113.4(2) . .
B18 B14 Na4 71.4(2) . .
Er1 B14 Na4 167.51(18) . .
Na2 B14 Na4 83.20(11) . .
B16 B15 B20 59.4(3) . .
B16 B15 B19 111.1(3) . .
B20 B15 B19 60.1(3) . .
B16 B15 B14 117.8(3) . .
B20 B15 B14 110.2(4) . .
B19 B15 B14 59.9(3) . .
B16 B15 Er1 67.4(2) . .
B20 B15 Er1 119.5(3) . .
B19 B15 Er1 123.1(2) . .
B14 B15 Er1 71.2(2) . .
B16 B15 Na2 144.4(3) . .
B20 B15 Na2 152.7(3) . .
B19 B15 Na2 103.7(3) . .
B14 B15 Na2 73.5(2) . .
Er1 B15 Na2 87.56(15) . .
B16 B15 Na6 118.9(3) . .
B20 B15 Na6 74.1(2) . .
B19 B15 Na6 70.3(2) . .
B14 B15 Na6 113.9(3) . .
Er1 B15 Na6 163.78(19) . .
Na2 B15 Na6 79.69(11) . .
C11 B16 B20 105.9(3) . .
C11 B16 B15 118.9(3) . .
B20 B16 B15 60.8(3) . .
C11 B16 B21 53.7(2) . .
B20 B16 B21 58.2(3) . .
B15 B16 B21 108.2(4) . .
C11 B16 Er1 70.88(19) . .
B20 B16 Er1 126.8(3) . .
B15 B16 Er1 74.5(2) . .
B21 B16 Er1 118.2(2) . .
C12 B17 B18 110.7(3) . .
C12 B17 B13 56.3(2) . .
B18 B17 B13 61.5(2) . .
C12 B17 B22 112.0(3) . .
B18 B17 B22 59.8(2) . .
B13 B17 B22 105.8(3) . .
C12 B17 Na10 103.3(3) . .
B18 B17 Na10 132.9(3) . .
B13 B17 Na10 159.4(3) . .
B22 B17 Na10 77.9(2) . .
C12 B17 Na1 107.1(2) . 2_756
B18 B17 Na1 68.5(2) . 2_756
B13 B17 Na1 65.1(2) . 2_756
B22 B17 Na1 123.0(3) . 2_756
Na10 B17 Na1 130.39(17) . 2_756
B17 B18 B19 116.1(4) . .
B17 B18 B22 63.8(2) . .
B19 B18 B22 61.2(2) . .
B17 B18 B14 110.3(4) . .
B19 B18 B14 59.9(3) . .
B22 B18 B14 106.1(4) . .
B17 B18 B13 61.4(3) . .
B19 B18 B13 110.1(4) . .
B22 B18 B13 108.7(4) . .
B14 B18 B13 59.0(2) . .
B17 B18 Na1 78.97(19) . 2_756
B19 B18 Na1 163.2(3) . 2_756
B22 B18 Na1 135.5(2) . 2_756
B14 B18 Na1 109.3(2) . 2_756
B13 B18 Na1 69.47(19) . 2_756
B17 B18 Na4 173.4(3) . .
B19 B18 Na4 69.8(2) . .
B22 B18 Na4 119.4(2) . .
B14 B18 Na4 74.9(2) . .
B13 B18 Na4 120.4(2) . .
Na1 B18 Na4 95.59(15) 2_756 .
B20 B19 B18 114.8(3) . .
B20 B19 B15 59.1(3) . .
B18 B19 B15 111.4(3) . .
B20 B19 B14 110.0(4) . .
B18 B19 B14 61.1(3) . .
B15 B19 B14 60.8(3) . .
B20 B19 B22 62.8(3) . .
B18 B19 B22 60.5(2) . .
B15 B19 B22 106.8(4) . .
B14 B19 B22 106.5(3) . .
B20 B19 Na4 168.3(2) . .
B18 B19 Na4 76.3(2) . .
B15 B19 Na4 121.8(3) . .
B14 B19 Na4 78.0(2) . .
B22 B19 Na4 124.0(3) . .
B20 B19 Na6 76.48(19) . .
B18 B19 Na6 168.5(3) . .
B15 B19 Na6 75.71(19) . .
B14 B19 Na6 118.5(2) . .
B22 B19 Na6 127.3(3) . .
Na4 B19 Na6 92.34(13) . .
B21 B20 B16 63.7(3) . .
B21 B20 B15 111.8(3) . .
B16 B20 B15 59.8(3) . .
B21 B20 B19 114.8(3) . .
B16 B20 B19 112.0(4) . .
B15 B20 B19 60.8(3) . .
B21 B20 B22 62.4(3) . .
B16 B20 B22 110.1(3) . .
B15 B20 B22 106.0(3) . .
B19 B20 B22 60.0(3) . .
B21 B20 Na6 174.4(3) . .
B16 B20 Na6 118.3(2) . .
B15 B20 Na6 72.98(19) . .
B19 B20 Na6 69.84(19) . .
B22 B20 Na6 119.8(3) . .
C11 B21 B20 110.3(3) . .
C11 B21 B16 58.7(2) . .
B20 B21 B16 58.2(3) . .
C11 B21 B22 112.8(4) . .
B20 B21 B22 62.7(3) . .
B16 B21 B22 106.3(3) . .
C11 B21 Na10 100.8(2) . .
B20 B21 Na10 134.7(4) . .
B16 B21 Na10 158.8(3) . .
B22 B21 Na10 75.4(2) . .
B18 B22 B19 58.3(2) . .
B18 B22 B21 123.0(4) . .
B19 B22 B21 105.7(4) . .
B18 B22 B20 108.0(3) . .
B19 B22 B20 57.1(3) . .
B21 B22 B20 54.9(3) . .
B18 B22 B17 56.4(2) . .
B19 B22 B17 107.4(3) . .
B21 B22 B17 85.7(3) . .
B20 B22 B17 121.8(4) . .
B18 B22 Na10 116.9(2) . .
B19 B22 Na10 168.3(3) . .
B21 B22 Na10 67.11(19) . .
B20 B22 Na10 119.6(3) . .
B17 B22 Na10 63.82(17) . .
C22 B23 B24 119.4(4) . .
C22 B23 B28 104.7(3) . .
B24 B23 B28 61.2(3) . .
C22 B23 B27 54.2(2) . .
B24 B23 B27 107.2(3) . .
B28 B23 B27 56.1(2) . .
C22 B23 Er2 69.8(2) . .
B24 B23 Er2 73.4(2) . .
B28 B23 Er2 123.8(3) . .
B27 B23 Er2 115.9(2) . .
C22 B23 Na5 114.0(3) . .
B24 B23 Na5 113.2(2) . .
B28 B23 Na5 69.2(2) . .
B27 B23 Na5 74.8(2) . .
Er2 B23 Na5 166.05(19) . .
B29 B24 B23 110.1(4) . .
B29 B24 B28 57.8(3) . .
B23 B24 B28 60.2(3) . .
B29 B24 B25 60.7(3) . .
B23 B24 B25 117.7(3) . .
B28 B24 B25 109.0(3) . .
B29 B24 Er2 119.9(2) . .
B23 B24 Er2 68.55(19) . .
B28 B24 Er2 119.0(2) . .
B25 B24 Er2 68.00(18) . .
B26 B25 B29 107.1(4) . .
B26 B25 B24 115.7(4) . .
B29 B25 B24 58.2(3) . .
B26 B25 B30 58.8(2) . .
B29 B25 B30 57.1(3) . .
B24 B25 B30 106.2(4) . .
B26 B25 Er2 66.6(2) . .
B29 B25 Er2 122.0(3) . .
B24 B25 Er2 72.9(2) . .
B30 B25 Er2 118.2(3) . .
B26 B25 Na6 121.8(3) . .
B29 B25 Na6 69.9(2) . .
B24 B25 Na6 110.4(2) . .
B30 B25 Na6 76.0(2) . .
Er2 B25 Na6 164.5(2) . .
B26 B25 Na2 147.2(3) . .
B29 B25 Na2 103.34(19) . .
B24 B25 Na2 71.3(2) . .
B30 B25 Na2 153.3(2) . .
Er2 B25 Na2 87.02(13) . .
Na6 B25 Na2 80.11(12) . .
C21 B26 B30 106.7(4) . .
C21 B26 B25 119.0(4) . .
B30 B26 B25 61.8(2) . .
C21 B26 B31 53.8(3) . .
B30 B26 B31 58.8(3) . .
B25 B26 B31 109.4(3) . .
C21 B26 Er2 70.3(2) . .
B30 B26 Er2 126.6(2) . .
B25 B26 Er2 73.5(2) . .
B31 B26 Er2 117.6(3) . .
C22 B27 B28 110.0(4) . .
C22 B27 B32 113.6(4) . .
B28 B27 B32 60.3(2) . .
C22 B27 B23 56.0(2) . .
B28 B27 B23 60.2(2) . .
B32 B27 B23 105.6(3) . .
C22 B27 Na5 111.3(3) . .
B28 B27 Na5 67.4(2) . .
B32 B27 Na5 119.3(2) . .
B23 B27 Na5 69.8(2) . .
B27 B28 B29 116.1(3) . .
B27 B28 B32 62.7(3) . .
B29 B28 B32 61.9(3) . .
B27 B28 B23 63.8(2) . .
B29 B28 B23 110.1(4) . .
B32 B28 B23 110.0(3) . .
B27 B28 B24 111.4(3) . .
B29 B28 B24 59.5(3) . .
B32 B28 B24 106.3(4) . .
B23 B28 B24 58.6(3) . .
B27 B28 Na5 79.5(3) . .
B29 B28 Na5 164.3(2) . .
B32 B28 Na5 131.1(3) . .
B23 B28 Na5 75.5(2) . .
B24 B28 Na5 116.1(3) . .
B27 B28 Na4 170.2(3) . .
B29 B28 Na4 73.46(18) . .
B32 B28 Na4 124.1(3) . .
B23 B28 Na4 116.0(2) . .
B24 B28 Na4 74.52(18) . .
Na5 B28 Na4 90.92(12) . .
B28 B29 B30 114.4(3) . .
B28 B29 B24 62.7(3) . .
B30 B29 B24 112.7(3) . .
B28 B29 B32 60.4(3) . .
B30 B29 B32 60.8(3) . .
B24 B29 B32 107.6(3) . .
B28 B29 B25 113.3(3) . .
B30 B29 B25 62.0(3) . .
B24 B29 B25 61.1(3) . .
B32 B29 B25 107.7(3) . .
B28 B29 Na6 166.0(2) . .
B30 B29 Na6 79.4(3) . .
B24 B29 Na6 115.6(3) . .
B32 B29 Na6 129.8(3) . .
B25 B29 Na6 74.6(3) . .
B28 B29 Na4 73.34(18) . .
B30 B29 Na4 170.7(3) . .
B24 B29 Na4 75.06(18) . .
B32 B29 Na4 122.9(3) . .
B25 B29 Na4 120.8(3) . .
Na6 B29 Na4 92.69(13) . .
B29 B30 B31 113.2(4) . .
B29 B30 B26 110.8(3) . .
B31 B30 B26 62.3(3) . .
B29 B30 B32 61.4(3) . .
B31 B30 B32 60.5(3) . .
B26 B30 B32 108.4(4) . .
B29 B30 B25 60.8(3) . .
B31 B30 B25 110.3(3) . .
B26 B30 B25 59.4(2) . .
B32 B30 B25 107.2(3) . .
B29 B30 Na11 118.2(3) . .
B31 B30 Na11 66.8(3) . .
B26 B30 Na11 119.3(2) . .
B32 B30 Na11 69.9(3) . .
B25 B30 Na11 176.5(4) . .
B29 B30 Na6 67.3(2) . .
B31 B30 Na6 179.1(4) . .
B26 B30 Na6 116.9(3) . .
B32 B30 Na6 120.3(2) . .
B25 B30 Na6 69.2(2) . .
Na11 B30 Na6 113.73(18) . .
C21 B31 B30 110.0(4) . .
C21 B31 B32 114.6(4) . .
B30 B31 B32 60.4(3) . .
C21 B31 B26 57.4(3) . .
B30 B31 B26 58.9(3) . .
B32 B31 B26 105.7(3) . .
C21 B31 Na11 170.0(3) . .
B30 B31 Na11 77.5(3) . .
B32 B31 Na11 74.6(2) . .
B26 B31 Na11 125.5(3) . .
B28 B32 B30 109.3(4) . .
B28 B32 B31 123.7(4) . .
B30 B32 B31 59.1(3) . .
B28 B32 B29 57.7(3) . .
B30 B32 B29 57.8(3) . .
B31 B32 B29 108.9(4) . .
B28 B32 B27 57.0(2) . .
B30 B32 B27 125.0(4) . .
B31 B32 B27 84.1(3) . .
B29 B32 B27 107.6(3) . .
B28 B32 Na11 167.7(3) . .
B30 B32 Na11 74.4(2) . .
B31 B32 Na11 68.5(2) . .
B29 B32 Na11 119.1(3) . .
B27 B32 Na11 131.1(3) . .
C31 B33 B34 120.0(3) . .
C31 B33 B38 107.2(4) . .
B34 B33 B38 60.7(2) . .
C31 B33 B37 54.4(3) . .
B34 B33 B37 107.8(3) . .
B38 B33 B37 58.1(3) . .
C31 B33 Er2 71.1(2) . .
B34 B33 Er2 75.2(2) . .
B38 B33 Er2 127.9(2) . .
B37 B33 Er2 118.8(3) . .
C31 B33 Na9 104.0(2) . .
B34 B33 Na9 120.1(3) . .
B38 B33 Na9 69.07(18) . .
B37 B33 Na9 66.20(19) . .
Er2 B33 Na9 162.94(18) . .
B39 B34 B33 108.8(3) . .
B39 B34 B35 60.3(3) . .
B33 B34 B35 115.0(4) . .
B39 B34 B38 58.1(2) . .
B33 B34 B38 59.9(2) . .
B35 B34 B38 108.7(4) . .
B39 B34 Er2 123.1(3) . .
B33 B34 Er2 65.2(2) . .
B35 B34 Er2 71.7(2) . .
B38 B34 Er2 118.5(3) . .
B39 B34 Na3 102.89(19) . .
B33 B34 Na3 143.5(3) . .
B35 B34 Na3 66.37(19) . .
B38 B34 Na3 156.6(2) . .
Er2 B34 Na3 82.53(12) . .
B36 B35 B39 110.8(3) . .
B36 B35 B34 117.8(3) . .
B39 B35 B34 58.7(3) . .
B36 B35 B40 61.5(3) . .
B39 B35 B40 57.7(3) . .
B34 B35 B40 107.5(3) . .
B36 B35 Er2 68.1(2) . .
B39 B35 Er2 120.1(2) . .
B34 B35 Er2 69.64(19) . .
B40 B35 Er2 119.9(2) . .
C32 B36 B35 119.7(3) . .
C32 B36 B40 104.0(3) . .
B35 B36 B40 60.5(3) . .
C32 B36 B41 53.0(2) . .
B35 B36 B41 106.7(3) . .
B40 B36 B41 56.3(2) . .
C32 B36 Er2 71.4(2) . .
B35 B36 Er2 73.5(2) . .
B40 B36 Er2 123.7(3) . .
B41 B36 Er2 116.0(2) . .
C32 B36 Na2 138.6(3) . .
B35 B36 Na2 85.8(2) . .
B40 B36 Na2 117.33(19) . .
B41 B36 Na2 155.2(3) . .
Er2 B36 Na2 87.79(15) . .
C32 B36 Na8 106.3(3) . .
B35 B36 Na8 115.2(2) . .
B40 B36 Na8 66.3(2) . .
B41 B36 Na8 67.3(2) . .
Er2 B36 Na8 169.95(19) . .
Na2 B36 Na8 88.02(12) . .
C31 B37 B38 109.7(4) . .
C31 B37 B42 115.5(3) . .
B38 B37 B42 61.6(3) . .
C31 B37 B33 55.9(3) . .
B38 B37 B33 59.4(3) . .
B42 B37 B33 106.7(3) . .
C31 B37 Na9 112.6(3) . .
B38 B37 Na9 74.1(2) . .
B42 B37 Na9 122.5(3) . .
B33 B37 Na9 76.5(2) . .
B39 B38 B37 112.9(4) . .
B39 B38 B33 109.6(3) . .
B37 B38 B33 62.5(3) . .
B39 B38 B34 59.6(3) . .
B37 B38 B34 110.3(3) . .
B33 B38 B34 59.4(2) . .
B39 B38 B42 62.2(3) . .
B37 B38 B42 59.7(3) . .
B33 B38 B42 107.6(4) . .
B34 B38 B42 106.8(3) . .
B39 B38 Na9 175.3(3) . .
B37 B38 Na9 69.49(19) . .
B33 B38 Na9 75.15(17) . .
B34 B38 Na9 124.0(3) . .
B42 B38 Na9 117.5(2) . .
B38 B39 B40 114.8(3) . .
B38 B39 B34 62.3(3) . .
B40 B39 B34 112.9(4) . .
B38 B39 B35 112.6(3) . .
B40 B39 B35 61.9(3) . .
B34 B39 B35 60.9(3) . .
B38 B39 B42 61.1(3) . .
B40 B39 B42 60.7(3) . .
B34 B39 B42 108.0(3) . .
B35 B39 B42 107.2(3) . .
B38 B39 Na1 174.0(3) . .
B40 B39 Na1 67.99(18) . .
B34 B39 Na1 122.2(2) . .
B35 B39 Na1 73.38(17) . .
B42 B39 Na1 118.4(3) . .
B39 B40 B41 115.3(3) . .
B39 B40 B42 62.3(3) . .
B41 B40 B42 62.2(3) . .
B39 B40 B35 60.4(3) . .
B41 B40 B35 109.9(3) . .
B42 B40 B35 107.2(3) . .
B39 B40 B36 110.1(4) . .
B41 B40 B36 62.6(3) . .
B42 B40 B36 109.5(3) . .
B35 B40 B36 58.0(3) . .
B39 B40 Na1 77.6(2) . .
B41 B40 Na1 167.0(3) . .
B42 B40 Na1 127.2(3) . .
B35 B40 Na1 77.31(19) . .
B36 B40 Na1 115.9(2) . .
B39 B40 Na8 169.1(3) . .
B41 B40 Na8 74.0(3) . .
B42 B40 Na8 121.7(3) . .
B35 B40 Na8 123.2(3) . .
B36 B40 Na8 78.7(2) . .
Na1 B40 Na8 92.94(12) . .
C32 B41 B40 111.3(4) . .
C32 B41 B42 115.3(4) . .
B40 B41 B42 60.7(3) . .
C32 B41 B36 56.3(2) . .
B40 B41 B36 61.1(3) . .
B42 B41 B36 107.2(4) . .
C32 B41 Na8 116.3(3) . .
B40 B41 Na8 71.6(2) . .
B42 B41 Na8 118.8(2) . .
B36 B41 Na8 77.3(2) . .
B37 B42 B40 122.7(4) . .
B37 B42 B38 58.7(3) . .
B40 B42 B38 107.7(3) . .
B37 B42 B41 83.6(3) . .
B40 B42 B41 57.1(2) . .
B38 B42 B41 123.3(4) . .
B37 B42 B39 107.5(4) . .
B40 B42 B39 57.1(3) . .
B38 B42 B39 56.7(3) . .
B41 B42 B39 106.6(3) . .
C3 C1 C2 113.1(3) . .
C3 C1 B6 118.9(3) . .
C2 C1 B6 123.2(3) . .
C3 C1 B11 117.8(3) . .
C2 C1 B11 105.6(3) . .
B6 C1 B11 69.0(3) . .
C3 C1 Er1 104.9(3) . .
C2 C1 Er1 72.0(2) . .
B6 C1 Er1 74.1(2) . .
B11 C1 Er1 133.1(3) . .
C1 C2 C10 111.6(3) . .
C1 C2 B7 107.1(3) . .
C10 C2 B7 112.6(3) . .
C1 C2 B3 124.6(3) . .
C10 C2 B3 120.7(3) . .
B7 C2 B3 69.1(3) . .
C1 C2 Er1 71.9(2) . .
C10 C2 Er1 109.8(3) . .
B7 C2 Er1 134.0(3) . .
B3 C2 Er1 74.6(2) . .
C9 C3 C1 110.8(3) . .
C9 C4 C5 120.6(4) . .
C6 C5 C4 120.5(6) . .
C5 C6 C7 120.0(6) . .
C8 C7 C6 121.9(4) . .
C7 C8 C9 118.8(4) . .
C7 C8 C10 126.0(3) . .
C9 C8 C10 115.1(4) . .
C4 C9 C8 118.1(4) . .
C4 C9 C3 123.4(3) . .
C8 C9 C3 118.5(4) . .
C8 C10 C2 114.9(3) . .
C12 C11 C13 112.3(3) . .
C12 C11 B21 108.6(4) . .
C13 C11 B21 113.0(3) . .
C12 C11 B16 123.6(3) . .
C13 C11 B16 120.7(4) . .
B21 C11 B16 67.7(3) . .
C12 C11 Er1 72.72(19) . .
C13 C11 Er1 111.6(3) . .
B21 C11 Er1 130.1(2) . .
B16 C11 Er1 71.21(19) . .
C20 C12 C11 113.0(3) . .
C20 C12 B17 113.4(3) . .
C11 C12 B17 107.6(3) . .
C20 C12 B13 119.3(3) . .
C11 C12 B13 124.0(2) . .
B17 C12 B13 68.8(3) . .
C20 C12 Er1 110.5(3) . .
C11 C12 Er1 72.19(18) . .
B17 C12 Er1 131.3(2) . .
B13 C12 Er1 72.18(19) . .
C19 C13 C11 107.0(4) . .
C15 C14 C19 121.9(5) . .
C15 C14 Na10 82.8(4) . .
C19 C14 Na10 74.0(3) . .
C16 C15 C14 117.7(5) . .
C17 C16 C15 124.0(4) . .
C16 C17 C18 118.4(5) . .
C19 C18 C17 120.2(4) . .
C19 C18 C20 117.3(3) . .
C17 C18 C20 122.4(4) . .
C19 C18 Na10 76.7(3) . .
C17 C18 Na10 81.4(3) . .
C20 C18 Na10 108.5(3) . .
C18 C19 C14 117.9(4) . .
C18 C19 C13 117.8(4) . .
C14 C19 C13 124.2(4) . .
C18 C19 Na10 77.2(3) . .
C14 C19 Na10 79.0(3) . .
C13 C19 Na10 109.8(3) . .
C18 C20 C12 107.7(3) . .
C23 C21 C22 111.9(3) . .
C23 C21 B31 115.8(3) . .
C22 C21 B31 105.8(3) . .
C23 C21 B26 119.8(4) . .
C22 C21 B26 124.6(3) . .
B31 C21 B26 68.8(3) . .
C23 C21 Er2 108.1(3) . .
C22 C21 Er2 74.9(2) . .
B31 C21 Er2 131.2(2) . .
B26 C21 Er2 71.7(2) . .
C30 C22 C21 115.2(3) . .
C30 C22 B27 115.8(4) . .
C21 C22 B27 105.2(3) . .
C30 C22 B23 117.2(3) . .
C21 C22 B23 123.3(3) . .
B27 C22 B23 69.8(2) . .
C30 C22 Er2 109.1(3) . .
C21 C22 Er2 69.6(2) . .
B27 C22 Er2 131.3(2) . .
B23 C22 Er2 74.0(2) . .
C29 C23 C21 111.4(4) . .
C25 C24 C29 121.9(6) . .
C26 C25 C24 122.2(5) . .
C25 C26 C27 117.6(6) . .
C26 C27 C28 122.0(7) . .
C29 C28 C27 119.2(4) . .
C29 C28 C30 117.1(4) . .
C27 C28 C30 123.6(5) . .
C28 C29 C24 116.8(5) . .
C28 C29 C23 117.2(4) . .
C24 C29 C23 125.9(5) . .
C22 C30 C28 109.3(4) . .
C33 C31 C32 110.5(3) . .
C33 C31 B37 118.0(3) . .
C32 C31 B37 104.8(3) . .
C33 C31 B33 120.4(3) . .
C32 C31 B33 124.8(3) . .
B37 C31 B33 69.7(3) . .
C33 C31 Er2 106.0(3) . .
C32 C31 Er2 75.60(19) . .
B37 C31 Er2 131.6(3) . .
B33 C31 Er2 71.4(2) . .
C40 C32 B41 116.4(4) . .
C40 C32 C31 115.0(3) . .
B41 C32 C31 105.6(3) . .
C40 C32 B36 117.5(3) . .
B41 C32 B36 70.7(3) . .
C31 C32 B36 122.1(3) . .
C40 C32 Er2 109.2(3) . .
B41 C32 Er2 130.7(3) . .
C31 C32 Er2 68.9(2) . .
B36 C32 Er2 72.4(2) . .
C39 C33 C31 112.0(4) . .
C35 C34 C39 120.2(5) . .
C36 C35 C34 121.1(4) . .
C35 C36 C37 118.6(6) . .
C38 C37 C36 122.6(5) . .
C37 C38 C39 120.2(3) . .
C37 C38 C40 124.1(4) . .
C39 C38 C40 115.5(4) . .
C38 C39 C34 117.2(5) . .
C38 C39 C33 118.9(3) . .
C34 C39 C33 123.8(4) . .
C32 C40 C38 110.3(3) . .
C42 O41 C45 102.5(4) . .
C42 O41 Na8 122.5(3) . .
C45 O41 Na8 122.9(3) . .
O41 C42 C43 111.2(4) . .
C44 C43 C42 105.3(4) . .
C43 C44 C45 105.0(5) . .
O41 C45 C44 109.6(4) . .
C56 O55 C59 105.2(5) . .
C56 O55 Na10 116.5(3) . .
C59 O55 Na10 127.3(4) . .
O55 C56 C57 110.7(4) . .
O55 C56 Na10 41.3(3) . .
C57 C56 Na10 139.0(5) . .
C58 C57 C56 104.9(5) . .
C57 C58 C59 104.2(5) . .
O55 C59 C58 111.3(4) . .
C66 O65 C69 105.6(4) . .
C66 O65 Na6 129.8(3) . .
C69 O65 Na6 119.9(4) . .
C67 C66 O65 109.0(4) . .
C66 C67 C68 105.4(5) . .
C69 C68 C67 105.7(5) . .
C68 C69 O65 110.2(4) . .
C72 O71 C75 105.5(3) . .
C72 O71 Na4 126.1(3) . .
C75 O71 Na4 117.1(4) . .
C73 C72 O71 109.6(4) . .
C72 C73 C74 107.3(4) . .
C75 C74 C73 105.3(5) . .
C74 C75 O71 111.3(4) . .
C76 O75 C79 107.8(4) . .
C76 O75 Na5 125.3(3) . .
C79 O75 Na5 118.8(3) . .
O75 C76 C77 106.5(4) . .
C78 C77 C76 107.5(5) . .
C77 C78 C79 106.0(5) . .
O75 C79 C78 106.8(4) . .
C82 O81 C85 110.4(4) . .
C82 O81 Na5 131.7(3) . .
C85 O81 Na5 117.9(3) . .
O81 C82 C83 102.9(4) . .
C84 C83 C82 110.2(5) . .
C83 C84 C85 107.4(6) . .
O81 C85 C84 104.0(5) . .
C86 O85 C89 106.6(4) . .
C86 O85 Na9 127.6(3) . .
C89 O85 Na9 112.1(3) . .
O85 C86 C87 106.3(4) . .
C86 C87 C88 98.5(5) . .
C89 C88 C87 97.9(4) . .
O85 C89 C88 106.3(5) . .
O85 C89 Na9 42.7(2) . .
C88 C89 Na9 127.7(5) . .
C92 O91 C95 106.0(4) . .
C92 O91 Na9 132.4(3) . .
C95 O91 Na9 121.6(3) . .
O91 C92 C93 109.4(5) . .
C92 C93 C94 102.7(4) . .
C95 C94 C93 102.8(5) . .
O91 C95 C94 110.4(5) . .
C99 O95 C96 101.3(5) . .
C99 O95 Na9 122.6(3) . .
C96 O95 Na9 135.4(3) . .
O95 C96 C97 109.9(6) . .
C96 C97 C98 100.4(4) . .
C99 C98 C97 103.0(5) . .
O95 C99 C98 110.9(4) . .
C105 O101 C102 104.4(5) . .
C105 O101 Na6 122.2(4) . .
C102 O101 Na6 127.6(4) . .
O101 C102 C103 106.0(5) . .
C102 C103 C104 103.2(5) . .
C105 C104 C103 100.9(5) . .
O101 C105 C104 110.3(5) . .
C106 O105 C109 88.9(4) . .
C106 O105 Na10 131.4(3) . .
C109 O105 Na10 139.3(3) . .
O105 C106 C107 120.2(6) . .
O105 C106 C109 45.8(3) . .
C107 C106 C109 79.7(4) . .
O105 C106 C108 89.1(3) . .
C107 C106 C108 44.2(4) . .
C109 C106 C108 43.3(2) . .
C106 C107 C108 91.6(6) . .
C106 C107 C109 57.2(3) . .
C108 C107 C109 44.0(3) . .
C109 C108 C107 92.1(5) . .
C109 C108 C106 57.6(3) . .
C107 C108 C106 44.2(4) . .
O105 C109 C108 124.3(4) . .
O105 C109 C106 45.2(3) . .
C108 C109 C106 79.1(3) . .
O105 C109 C107 85.1(4) . .
C108 C109 C107 43.9(4) . .
C106 C109 C107 43.0(3) . .
C112 O111 C115 88.0(5) . .
C112 O111 Na8 149.7(4) . .
C115 O111 Na8 118.7(3) . .
O111 C112 C113 125.1(5) . .
O111 C112 C115 46.1(3) . .
C113 C112 C115 79.1(4) . .
O111 C112 C114 86.6(4) . .
C113 C112 C114 44.1(3) . .
C115 C112 C114 43.0(3) . .
C112 C113 C114 92.2(4) . .
C112 C113 C115 57.7(3) . .
C114 C113 C115 44.3(3) . .
C115 C114 C113 91.1(4) . .
C115 C114 C112 57.1(3) . .
C113 C114 C112 43.7(3) . .
O111 C115 C114 121.3(5) . .
O111 C115 C112 45.9(3) . .
C114 C115 C112 79.9(4) . .
O111 C115 C113 88.9(4) . .
C114 C115 C113 44.6(3) . .
C112 C115 C113 43.2(3) . .
C119 O115 C116 94.1(9) . .
C119 O115 Na11 115.0(7) . .
C116 O115 Na11 149.1(5) . .
C117 C116 O115 107.1(12) . .
C116 C117 C118 110.6(15) . .
C119 C118 C117 102.7(11) . .
C118 C119 O115 121.0(11) . .
C122 O120 C121 89.8(11) . .
C122 O120 Na11 121.5(12) . .
C121 O120 Na11 126.6(7) . .
C121 O125 Na11 120.4(5) 2_655 .
C123 C121 O120 103.7(9) 2_655 .
C123 C121 C122 79.9(7) 2_655 .
O120 C121 C122 35.4(5) . .
C123 C121 O125 24.0(6) 2_655 2_655
O120 C121 O125 81.5(7) . 2_655
C122 C121 O125 65.0(5) . 2_655
O120 C122 C124 126.8(13) . 2_655
O120 C122 C121 54.8(10) . .
C124 C122 C121 87.7(7) 2_655 .
O120 C122 Na11 40.8(9) . .
C124 C122 Na11 166.2(6) 2_655 .
C121 C122 Na11 86.3(3) . .
C121 C123 C124 100.5(8) 2_655 .
C122 C124 C123 90.8(7) 2_655 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Er1 C1 2.508(4) .
Er1 C2 2.511(4) .
Er1 B6 2.577(4) .
Er1 C11 2.575(4) .
Er1 B16 2.581(4) .
Er1 C12 2.583(4) .
Er1 B3 2.600(4) .
Er1 B13 2.597(5) .
Er1 B15 2.694(5) .
Er1 B14 2.716(5) .
Er1 B5 2.725(4) .
Er1 Na2 3.9657(13) .
Er2 C21 2.530(4) .
Er2 C31 2.531(4) .
Er2 B33 2.534(4) .
Er2 B26 2.552(5) .
Er2 C22 2.605(4) .
Er2 C32 2.628(4) .
Er2 B36 2.644(5) .
Er2 B23 2.668(5) .
Er2 B25 2.665(4) .
Er2 B34 2.699(5) .
Er2 B35 2.733(4) .
Er2 B24 2.748(4) .
Na1 B40 2.854(4) .
Na1 B13 2.925(5) 2_756
Na1 B39 3.006(4) .
Na1 B18 3.014(5) 2_756
Na1 B9 3.131(4) .
Na1 B10 3.149(5) .
Na1 B17 3.180(5) 2_756
Na1 Na7 4.0044(16) .
Na1 Na3 4.088(2) .
Na1 Na8 4.191(3) .
Na2 B15 3.027(5) .
Na2 B14 3.051(4) .
Na2 B36 3.057(4) .
Na2 B25 3.076(5) .
Na2 B5 3.142(4) .
Na2 Na6 3.908(2) .
Na2 Na7 4.0029(13) .
Na2 Na4 4.108(2) .
Na2 Na3 4.122(2) .
Na3 B4 3.002(4) 2_756
Na3 B34 3.030(4) .
Na3 B3 3.048(5) 2_756
Na3 Na5 3.903(3) .
Na3 Na7 4.1369(12) .
Na4 O71 2.358(4) .
Na4 B19 2.975(6) .
Na4 B28 3.021(4) .
Na4 B29 3.022(4) .
Na4 B9 3.038(4) 2_756
Na4 B8 3.041(5) 2_756
Na4 B18 3.078(5) .
Na4 B14 3.136(6) .
Na5 O81 2.320(4) .
Na5 O75 2.345(4) .
Na5 B28 2.902(6) .
Na5 B8 2.967(4) 2_756
Na5 B23 3.005(5) .
Na5 B27 3.091(5) .
Na5 B7 3.167(4) 2_756
Na6 O65 2.311(5) .
Na6 O101 2.325(4) .
Na6 B29 2.918(6) .
Na6 B19 2.984(4) .
Na6 B25 2.996(5) .
Na6 B15 3.072(5) .
Na6 B20 3.091(4) .
Na6 B30 3.108(6) .
Na7 B5 2.851(5) 2_756
Na7 B4 2.873(5) 2_756
Na7 Na2 4.0029(13) 2_756
Na7 Na1 4.0044(16) 2_756
Na7 Na3 4.1369(12) 2_756
Na8 O111 2.296(5) .
Na8 O41 2.369(4) .
Na8 B10 2.864(4) .
Na8 B40 2.927(6) .
Na8 B41 2.965(5) .
Na8 B11 3.102(4) .
Na8 B36 3.134(6) .
Na8 B6 3.174(4) .
Na9 O91 2.241(3) .
Na9 O85 2.279(5) .
Na9 O95 2.352(4) .
Na9 B37 2.787(5) .
Na9 B38 2.862(4) .
Na9 B33 2.961(4) .
Na9 C89 3.115(6) .
Na10 O105 2.268(5) .
Na10 O55 2.306(5) .
Na10 B17 2.718(5) .
Na10 B21 2.818(5) .
Na10 B22 2.961(5) .
Na10 C19 3.030(5) .
Na10 C18 3.036(5) .
Na10 C14 3.095(7) .
Na10 C56 3.123(8) .
Na11 O125 2.172(10) .
Na11 O120 2.287(14) .
Na11 O115 2.437(8) .
Na11 B31 2.785(7) .
Na11 B32 2.885(6) .
Na11 B30 2.960(7) .
Na11 C122 2.986(6) .
B3 C2 1.616(6) .
B3 B4 1.736(7) .
B3 B8 1.773(6) .
B3 B7 1.827(8) .
B3 Na3 3.048(5) 2_756
B4 B8 1.776(7) .
B4 B9 1.796(6) .
B4 B5 1.812(5) .
B4 Na3 3.002(4) 2_756
B5 B6 1.736(7) .
B5 B10 1.775(7) .
B5 B9 1.775(6) .
B6 C1 1.596(6) .
B6 B10 1.800(7) .
B6 B11 1.824(8) .
B7 C2 1.605(6) .
B7 B8 1.747(8) .
B7 B12 1.847(6) .
B7 Na5 3.167(4) 2_756
B8 B9 1.731(6) .
B8 B12 1.802(6) .
B8 Na5 2.967(4) 2_756
B8 Na4 3.041(5) 2_756
B9 B10 1.698(6) .
B9 B12 1.794(8) .
B9 Na4 3.038(4) 2_756
B10 B11 1.742(7) .
B10 B12 1.748(6) .
B11 C1 1.625(6) .
B11 B12 1.802(6) .
B13 C12 1.625(6) .
B13 B14 1.787(5) .
B13 B17 1.821(6) .
B13 B18 1.822(7) .
B13 Na1 2.925(5) 2_756
B14 B19 1.784(7) .
B14 B15 1.800(7) .
B14 B18 1.806(7) .
B15 B16 1.726(7) .
B15 B20 1.744(7) .
B15 B19 1.774(8) .
B16 C11 1.675(4) .
B16 B20 1.719(8) .
B16 B21 1.814(7) .
B17 C12 1.597(7) .
B17 B18 1.743(6) .
B17 B22 1.876(6) .
B17 Na1 3.180(5) 2_756
B18 B19 1.767(6) .
B18 B22 1.808(7) .
B18 Na1 3.014(5) 2_756
B19 B20 1.763(8) .
B19 B22 1.819(6) .
B20 B21 1.719(6) .
B20 B22 1.868(7) .
B21 C11 1.580(6) .
B21 B22 1.862(8) .
B23 C22 1.640(4) .
B23 B24 1.766(7) .
B23 B28 1.795(6) .
B23 B27 1.856(7) .
B24 B29 1.757(7) .
B24 B28 1.812(8) .
B24 B25 1.811(7) .
B25 B26 1.783(5) .
B25 B29 1.804(7) .
B25 B30 1.826(7) .
B26 C21 1.655(7) .
B26 B30 1.771(7) .
B26 B31 1.831(8) .
B27 C22 1.605(6) .
B27 B28 1.717(5) .
B27 B32 1.818(7) .
B28 B29 1.727(8) .
B28 B32 1.777(6) .
B29 B30 1.736(6) .
B29 B32 1.802(7) .
B30 B31 1.769(7) .
B30 B32 1.792(9) .
B31 C21 1.586(7) .
B31 B32 1.794(6) .
B33 C31 1.629(7) .
B33 B34 1.782(5) .
B33 B38 1.791(7) .
B33 B37 1.846(8) .
B34 B39 1.760(7) .
B34 B35 1.799(6) .
B34 B38 1.806(6) .
B35 B36 1.769(7) .
B35 B39 1.788(6) .
B35 B40 1.815(7) .
B36 C32 1.638(4) .
B36 B40 1.831(7) .
B36 B41 1.859(7) .
B37 C31 1.601(6) .
B37 B38 1.765(7) .
B37 B42 1.783(6) .
B38 B39 1.733(5) .
B38 B42 1.816(8) .
B39 B40 1.739(8) .
B39 B42 1.834(7) .
B40 B41 1.740(6) .
B40 B42 1.806(5) .
B41 C32 1.572(6) .
B41 B42 1.833(7) .
C1 C3 1.550(5) .
C1 C2 1.555(4) .
C2 C10 1.567(5) .
C3 C9 1.504(6) .
C4 C9 1.402(7) .
C4 C5 1.403(8) .
C5 C6 1.318(6) .
C6 C7 1.398(8) .
C7 C8 1.370(7) .
C8 C9 1.408(4) .
C8 C10 1.455(6) .
C11 C12 1.555(5) .
C11 C13 1.568(6) .
C12 C20 1.532(4) .
C13 C19 1.492(5) .
C14 C15 1.403(7) .
C14 C19 1.431(7) .
C15 C16 1.359(8) .
C16 C17 1.354(7) .
C17 C18 1.458(5) .
C18 C19 1.368(6) .
C18 C20 1.496(6) .
C21 C23 1.507(4) .
C21 C22 1.566(6) .
C22 C30 1.509(5) .
C23 C29 1.497(7) .
C24 C25 1.373(9) .
C24 C29 1.391(6) .
C25 C26 1.346(11) .
C26 C27 1.368(7) .
C27 C28 1.423(8) .
C28 C29 1.391(8) .
C28 C30 1.526(5) .
C31 C33 1.557(5) .
C31 C32 1.576(5) .
C32 C40 1.527(6) .
C33 C39 1.485(7) .
C34 C35 1.384(9) .
C34 C39 1.403(5) .
C35 C36 1.329(8) .
C36 C37 1.375(6) .
C37 C38 1.339(8) .
C38 C39 1.387(6) .
C38 C40 1.534(5) .
O41 C42 1.335(5) .
O41 C45 1.340(6) .
C42 C43 1.375(8) .
C43 C44 1.358(7) .
C44 C45 1.384(7) .
O55 C56 1.315(6) .
O55 C59 1.330(6) .
C56 C57 1.389(8) .
C57 C58 1.361(6) .
C58 C59 1.374(9) .
O65 C66 1.375(7) .
O65 C69 1.376(5) .
C66 C67 1.332(7) .
C67 C68 1.442(7) .
C68 C69 1.328(8) .
O71 C72 1.378(4) .
O71 C75 1.379(5) .
C72 C73 1.339(6) .
C73 C74 1.445(7) .
C74 C75 1.328(7) .
O75 C76 1.378(6) .
O75 C79 1.384(4) .
C76 C77 1.423(6) .
C77 C78 1.344(7) .
C78 C79 1.418(8) .
O81 C82 1.393(5) .
O81 C85 1.394(6) .
C82 C83 1.437(8) .
C83 C84 1.343(9) .
C84 C85 1.415(8) .
O85 C86 1.403(6) .
O85 C89 1.432(5) .
C86 C87 1.440(8) .
C87 C88 1.551(7) .
C88 C89 1.437(7) .
O91 C92 1.418(5) .
O91 C95 1.421(7) .
C92 C93 1.438(7) .
C93 C94 1.526(9) .
C94 C95 1.443(6) .
O95 C99 1.350(6) .
O95 C96 1.356(7) .
C96 C97 1.461(8) .
C97 C98 1.488(6) .
C98 C99 1.458(7) .
O101 C105 1.319(7) .
O101 C102 1.339(7) .
C102 C103 1.454(6) .
C103 C104 1.485(10) .
C104 C105 1.450(6) .
O105 C106 1.150(6) .
O105 C109 1.162(6) .
C106 C107 1.313(8) .
C106 C109 1.619(6) .
C106 C108 1.884(6) .
C107 C108 1.315(8) .
C107 C109 1.895(7) .
C108 C109 1.316(7) .
O111 C112 1.162(6) .
O111 C115 1.167(7) .
C112 C113 1.311(8) .
C112 C115 1.618(7) .
C112 C114 1.896(8) .
C113 C114 1.322(8) .
C113 C115 1.881(6) .
C114 C115 1.314(7) .
O115 C119 1.313(12) .
O115 C116 1.631(19) .
C116 C117 1.20(2) .
C117 C118 1.45(2) .
C118 C119 1.216(19) .
O120 C122 1.066(12) .
O120 C121 1.504(17) .
O125 C121 1.904(13) 2_655
C121 C123 1.394(6) 2_655
C121 C122 1.840(17) .
C121 O125 1.904(13) 2_655
C122 C124 1.400(6) 2_655
C123 C121 1.394(6) 2_655
C123 C124 1.552(16) .
C124 C122 1.400(6) 2_655
