#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/17/7211765.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_7211765
loop_
_publ_author_name
'Tong, Yu-Zhang'
'Wang, Qing-Lun'
'Yang, Guang'
'Yang, Guang-Ming'
'Yan, Shi-Ping'
'Liao, Dai-Zheng'
'Cheng, Peng'
_publ_section_title
;
 Hydrolytic synthesis and structural characterization of five hexanuclear
 oxo-hydroxo lanthanide clusters
;
_journal_issue                   2
_journal_name_full               CrystEngComm
_journal_page_first              543
_journal_paper_doi               10.1039/b914208h
_journal_volume                  12
_journal_year                    2010
_chemical_formula_sum            'C12 H44 Cl4 Er3 N12 O14.5'
_chemical_formula_weight         1232.17
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_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                108.78(3)
_cell_angle_beta                 106.05(3)
_cell_angle_gamma                96.98(3)
_cell_formula_units_Z            2
_cell_length_a                   11.627(2)
_cell_length_b                   12.865(3)
_cell_length_c                   14.183(3)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.01
_cell_measurement_theta_min      3.03
_cell_volume                     1877.9(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_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  0.0603
_diffrn_reflns_av_sigmaI/netI    0.0878
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            11711
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         3.03
_exptl_absorpt_coefficient_mu    6.996
_exptl_absorpt_correction_T_max  0.3351
_exptl_absorpt_correction_T_min  0.3351
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    2.179
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1176
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.986
_refine_diff_density_min         -2.321
_refine_diff_density_rms         0.287
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     424
_refine_ls_number_reflns         6568
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0596
_refine_ls_R_factor_gt           0.0505
_refine_ls_shift/su_max          0.148
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0567P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1239
_refine_ls_wR_factor_ref         0.1292
_reflns_number_gt                5644
_reflns_number_total             6568
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b914208h.txt
_cod_data_source_block           shelxs
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        1877.9(7)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C12 H44 Cl4 Er3 N12 O14.50'
_cod_database_code               7211765
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
C1 C 0.2044(8) 0.1081(8) 0.1830(8) 0.028(2) Uani 1 1 d .
C2 C 0.2034(11) 0.0556(10) 0.0725(9) 0.048(3) Uani 1 1 d .
H2A H 0.2026 0.1114 0.0410 0.073 Uiso 1 1 calc R
H2B H 0.1314 -0.0047 0.0323 0.073 Uiso 1 1 calc R
H2C H 0.2756 0.0264 0.0730 0.073 Uiso 1 1 calc R
C3 C 0.1560(9) 0.2037(9) 0.3146(9) 0.035(3) Uani 1 1 d .
C4 C 0.0981(10) 0.2861(11) 0.3785(10) 0.057(4) Uani 1 1 d .
H4A H 0.1105 0.2789 0.4457 0.085 Uiso 1 1 calc R
H4B H 0.0115 0.2700 0.3410 0.085 Uiso 1 1 calc R
H4C H 0.1355 0.3617 0.3893 0.085 Uiso 1 1 calc R
C5 C 0.2943(8) 0.2349(8) 0.7876(7) 0.020(2) Uani 1 1 d .
C6 C 0.2028(8) 0.2992(9) 0.7594(9) 0.031(2) Uani 1 1 d .
H6A H 0.2365 0.3781 0.8007 0.047 Uiso 1 1 calc R
H6B H 0.1302 0.2745 0.7736 0.047 Uiso 1 1 calc R
H6C H 0.1819 0.2868 0.6857 0.047 Uiso 1 1 calc R
C7 C 0.4156(8) 0.1595(9) 0.8785(7) 0.026(2) Uani 1 1 d .
C8 C 0.4783(10) 0.1276(9) 0.9668(8) 0.036(3) Uani 1 1 d .
H8A H 0.4273 0.0617 0.9646 0.054 Uiso 1 1 calc R
H8B H 0.4934 0.1887 1.0326 0.054 Uiso 1 1 calc R
H8C H 0.5551 0.1117 0.9608 0.054 Uiso 1 1 calc R
C9 C 0.9288(10) 0.4674(10) 0.1918(9) 0.038(3) Uani 1 1 d .
C10 C 0.9230(12) 0.4322(13) 0.0810(10) 0.067(4) Uani 1 1 d .
H10A H 0.8740 0.4733 0.0470 0.100 Uiso 1 1 calc R
H10B H 0.8866 0.3529 0.0453 0.100 Uiso 1 1 calc R
H10C H 1.0046 0.4475 0.0781 0.100 Uiso 1 1 calc R
C11 C 0.8800(10) 0.4755(10) 0.3313(9) 0.041(3) Uani 1 1 d .
C12 C 0.8114(11) 0.4466(12) 0.3969(10) 0.059(4) Uani 1 1 d .
H12A H 0.8679 0.4605 0.4657 0.089 Uiso 1 1 calc R
H12B H 0.7696 0.3683 0.3638 0.089 Uiso 1 1 calc R
H12C H 0.7524 0.4921 0.4035 0.089 Uiso 1 1 calc R
Cl1 Cl 0.0241(2) 0.8443(3) 0.1482(2) 0.0451(7) Uani 1 1 d .
Cl2 Cl 0.2600(3) 0.4342(3) 0.1828(3) 0.0661(10) Uani 1 1 d .
Cl3 Cl 0.5000 0.5000 0.0000 0.0568(12) Uani 1 2 d S
Cl4 Cl 0.7844(3) 0.1242(3) 0.2549(2) 0.0455(7) Uani 1 1 d .
Cl5 Cl 0.0489(6) 0.0192(7) 0.6593(6) 0.0658(19) Uani 0.50 1 d P
Er1 Er 0.35699(3) 0.11950(4) 0.53147(3) 0.01925(14) Uani 1 1 d .
Er2 Er 0.55697(3) 0.01340(4) 0.68182(3) 0.01873(14) Uani 1 1 d .
Er3 Er 0.67133(3) 0.17748(3) 0.55722(3) 0.01877(14) Uani 1 1 d .
N1 N 0.2700(7) 0.0931(7) 0.2657(6) 0.0271(19) Uani 1 1 d .
N2 N 0.2412(7) 0.1562(7) 0.3510(7) 0.030(2) Uani 1 1 d .
N3 N 0.1317(8) 0.1771(8) 0.2122(8) 0.038(2) Uani 1 1 d .
N4 N 0.0468(8) 0.2154(9) 0.1465(9) 0.063(3) Uani 1 1 d .
H4D H 0.0052 0.2605 0.1729 0.075 Uiso 1 1 calc R
H4E H 0.0366 0.1937 0.0802 0.075 Uiso 1 1 calc R
N5 N 0.4315(6) 0.1337(7) 0.7879(6) 0.0234(18) Uani 1 1 d .
N6 N 0.3520(7) 0.1822(7) 0.7283(6) 0.0235(18) Uani 1 1 d .
N7 N 0.3298(7) 0.2221(7) 0.8807(6) 0.0245(18) Uani 1 1 d .
N8 N 0.2931(8) 0.2667(8) 0.9688(7) 0.037(2) Uani 1 1 d .
H8D H 0.2408 0.3085 0.9671 0.044 Uiso 1 1 calc R
H8E H 0.3228 0.2523 1.0246 0.044 Uiso 1 1 calc R
N9 N 0.9812(9) 0.5525(8) 0.3611(8) 0.045(2) Uani 1 1 d .
N10 N 1.0089(8) 0.5451(8) 0.2707(8) 0.039(2) Uani 1 1 d .
N11 N 0.8434(8) 0.4189(7) 0.2252(7) 0.038(2) Uani 1 1 d .
N12 N 0.7386(9) 0.3327(8) 0.1608(8) 0.062(3) Uani 1 1 d .
H12H H 0.6881 0.3097 0.1881 0.075 Uiso 1 1 calc R
H12G H 0.7246 0.3027 0.0939 0.075 Uiso 1 1 calc R
O1 O 0.3474(6) 0.6442(6) 0.1291(6) 0.049(2) Uani 1 1 d .
H11A H 0.8907 0.1950 0.5125 0.058 Uiso 1 1 d R
H11B H 0.8835 0.2975 0.5039 0.058 Uiso 1 1 d R
H12E H 0.8774 0.2356 0.7201 0.058 Uiso 1 1 d R
H12F H 0.8771 0.3477 0.7620 0.058 Uiso 1 1 d R
H10E H 0.7069 0.4062 0.5610 0.058 Uiso 1 1 d R
H10D H 0.6977 0.4255 0.6593 0.058 Uiso 1 1 d R
H6D H 0.3025 0.3457 0.5732 0.058 Uiso 1 1 d R
H6E H 0.3901 0.3259 0.6487 0.058 Uiso 1 1 d R
H5A H 0.1046 0.1169 0.5611 0.058 Uiso 1 1 d R
H5B H 0.1288 0.1223 0.4732 0.058 Uiso 1 1 d R
H7A H 0.7500 0.1384 0.9020 0.058 Uiso 1 1 d R
H7B H 0.7481 0.1553 0.8109 0.058 Uiso 1 1 d R
H8G H 0.4949 -0.1618 0.7709 0.058 Uiso 1 1 d R
H8F H 0.4844 -0.0604 0.8352 0.058 Uiso 1 1 d R
H16B H 0.3623 0.6727 0.0852 0.058 Uiso 1 1 d R
H16A H 0.3899 0.6971 0.1917 0.058 Uiso 1 1 d R
H15B H 0.4840 0.4818 0.2022 0.058 Uiso 1 1 d R
H15A H 0.5921 0.4894 0.1807 0.058 Uiso 1 1 d R
H14A H 0.4768 0.4689 0.4145 0.058 Uiso 1 1 d R
H14B H 0.4357 0.4006 0.4611 0.058 Uiso 1 1 d R
O2 O 0.5611(8) 0.5097(9) 0.2307(8) 0.071(3) Uani 1 1 d .
O3 O 0.4759(7) 0.4665(6) 0.4734(6) 0.043(2) Uani 1 1 d U
O4 O 0.3651(6) 0.3174(6) 0.5821(6) 0.0384(18) Uani 1 1 d .
O5 O 0.1485(5) 0.0964(6) 0.5222(5) 0.0322(17) Uani 1 1 d .
O6 O 0.4945(6) -0.0934(6) 0.7756(5) 0.0328(17) Uani 1 1 d .
O7 O 0.7014(6) 0.1439(6) 0.8456(5) 0.0298(16) Uani 1 1 d .
O8 O 0.6566(5) 0.0307(5) 0.4071(5) 0.0194(14) Uani 1 1 d .
O9 O 0.8399(7) 0.2392(7) 0.5055(7) 0.049(2) Uani 1 1 d .
O10 O 0.6771(7) 0.3735(6) 0.5967(6) 0.043(2) Uani 1 1 d .
O11 O 0.8296(6) 0.2822(6) 0.7199(6) 0.0383(18) Uani 1 1 d .
O12 O 0.5000 0.0000 0.5000 0.021(2) Uani 1 2 d S
O13 O 0.5510(5) 0.1852(5) 0.6602(5) 0.0200(14) Uani 1 1 d .
O14 O 0.4853(5) 0.1723(5) 0.4420(5) 0.0194(14) Uani 1 1 d .
O15 O 0.7255(5) 0.0440(5) 0.6230(5) 0.0220(14) Uani 1 1 d .
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Er Er -0.2586 4.9576 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
N1 C1 N3 108.5(9) . .
N1 C1 C2 127.0(9) . .
N3 C1 C2 124.4(9) . .
C1 C2 H2A 109.5 . .
C1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
C1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
N2 C3 N3 110.2(10) . .
N2 C3 C4 126.7(11) . .
N3 C3 C4 123.0(10) . .
C3 C4 H4A 109.5 . .
C3 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C3 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
N6 C5 N7 109.5(8) . .
N6 C5 C6 126.4(9) . .
N7 C5 C6 124.1(8) . .
C5 C6 H6A 109.5 . .
C5 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C5 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
N5 C7 N7 108.9(8) . .
N5 C7 C8 126.9(9) . .
N7 C7 C8 124.2(8) . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
N10 C9 N11 109.2(11) . .
N10 C9 C10 127.1(12) . .
N11 C9 C10 123.7(11) . .
C9 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C9 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
N9 C11 N11 109.1(10) . .
N9 C11 C12 128.9(12) . .
N11 C11 C12 121.9(11) . .
C11 C12 H12A 109.5 . .
C11 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C11 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
O13 Er1 O15 131.0(2) . 2_656
O13 Er1 O8 83.9(2) . 2_656
O15 Er1 O8 75.4(2) 2_656 2_656
O13 Er1 O5 138.4(2) . .
O15 Er1 O5 81.9(2) 2_656 .
O8 Er1 O5 81.3(2) 2_656 .
O13 Er1 O14 76.72(19) . .
O15 Er1 O14 84.2(2) 2_656 .
O8 Er1 O14 130.9(2) 2_656 .
O5 Er1 O14 139.6(2) . .
O13 Er1 O4 81.9(2) . .
O15 Er1 O4 137.8(2) 2_656 .
O8 Er1 O4 142.5(2) 2_656 .
O5 Er1 O4 86.6(2) . .
O14 Er1 O4 78.8(2) . .
O13 Er1 O12 65.42(15) . .
O15 Er1 O12 65.57(14) 2_656 .
O8 Er1 O12 65.22(14) 2_656 .
O5 Er1 O12 137.62(18) . .
O14 Er1 O12 65.67(14) . .
O4 Er1 O12 135.74(17) . .
O13 Er1 N6 66.3(2) . .
O15 Er1 N6 136.1(2) 2_656 .
O8 Er1 N6 66.3(2) 2_656 .
O5 Er1 N6 72.1(2) . .
O14 Er1 N6 137.6(2) . .
O4 Er1 N6 76.2(2) . .
O12 Er1 N6 113.17(15) . .
O13 Er1 N2 135.9(2) . .
O15 Er1 N2 65.2(2) 2_656 .
O8 Er1 N2 136.6(2) 2_656 .
O5 Er1 N2 76.2(2) . .
O14 Er1 N2 63.6(2) . .
O4 Er1 N2 72.6(2) . .
O12 Er1 N2 110.57(16) . .
N6 Er1 N2 136.3(2) . .
O13 Er1 Er2 42.80(15) . .
O15 Er1 Er2 98.14(14) 2_656 .
O8 Er1 Er2 43.38(13) 2_656 .
O5 Er1 Er2 120.94(16) . .
O14 Er1 Er2 98.44(13) . .
O4 Er1 Er2 122.27(18) . .
O12 Er1 Er2 44.997(19) . .
N6 Er1 Er2 68.17(15) . .
N2 Er1 Er2 155.56(16) . .
O13 Er1 Er2 98.16(15) . 2_656
O15 Er1 Er2 43.47(14) 2_656 2_656
O8 Er1 Er2 97.51(15) 2_656 2_656
O5 Er1 Er2 122.21(18) . 2_656
O14 Er1 Er2 43.22(15) . 2_656
O4 Er1 Er2 118.78(17) . 2_656
O12 Er1 Er2 44.72(2) . 2_656
N6 Er1 Er2 157.88(15) . 2_656
N2 Er1 Er2 65.86(16) . 2_656
Er2 Er1 Er2 89.72(3) . 2_656
O13 Er1 Er3 39.29(14) . .
O15 Er1 Er3 102.32(14) 2_656 .
O8 Er1 Er3 101.56(13) 2_656 .
O5 Er1 Er3 175.35(18) . .
O14 Er1 Er3 40.17(13) . .
O4 Er1 Er3 88.92(17) . .
O12 Er1 Er3 46.89(2) . .
N6 Er1 Er3 105.56(16) . .
N2 Er1 Er3 103.72(16) . .
Er2 Er1 Er3 60.72(2) . .
Er2 Er1 Er3 61.33(4) 2_656 .
O13 Er2 O8 84.0(2) . 2_656
O13 Er2 O14 131.6(2) . 2_656
O8 Er2 O14 75.7(2) 2_656 2_656
O13 Er2 O15 76.9(2) . .
O8 Er2 O15 131.0(2) 2_656 .
O14 Er2 O15 84.1(2) 2_656 .
O13 Er2 O6 141.3(2) . .
O8 Er2 O6 81.9(2) 2_656 .
O14 Er2 O6 78.9(2) 2_656 .
O15 Er2 O6 137.2(2) . .
O13 Er2 O7 78.1(2) . .
O8 Er2 O7 137.6(2) 2_656 .
O14 Er2 O7 142.5(2) 2_656 .
O15 Er2 O7 81.7(2) . .
O6 Er2 O7 88.5(2) . .
O13 Er2 O12 65.47(15) . .
O8 Er2 O12 65.59(15) 2_656 .
O14 Er2 O12 66.13(14) 2_656 .
O15 Er2 O12 65.45(14) . .
O6 Er2 O12 136.56(18) . .
O7 Er2 O12 134.93(16) . .
O13 Er2 N1 135.9(2) . 2_656
O8 Er2 N1 138.3(2) 2_656 2_656
O14 Er2 N1 67.8(2) 2_656 2_656
O15 Er2 N1 65.4(2) . 2_656
O6 Er2 N1 71.9(2) . 2_656
O7 Er2 N1 74.7(2) . 2_656
O12 Er2 N1 114.09(17) . 2_656
O13 Er2 N5 66.7(2) . .
O8 Er2 N5 65.0(2) 2_656 .
O14 Er2 N5 134.9(2) 2_656 .
O15 Er2 N5 138.7(2) . .
O6 Er2 N5 74.7(2) . .
O7 Er2 N5 72.6(2) . .
O12 Er2 N5 112.71(16) . .
N1 Er2 N5 133.2(2) 2_656 .
O13 Er2 Er1 42.59(15) . .
O8 Er2 Er1 43.66(14) 2_656 .
O14 Er2 Er1 98.92(14) 2_656 .
O15 Er2 Er1 98.48(14) . .
O6 Er2 Er1 122.66(16) . .
O7 Er2 Er1 117.38(16) . .
O12 Er2 Er1 45.28(2) . .
N1 Er2 Er1 159.30(17) 2_656 .
N5 Er2 Er1 67.45(16) . .
O13 Er2 Er1 98.54(15) . 2_656
O8 Er2 Er1 97.95(15) 2_656 2_656
O14 Er2 Er1 43.63(14) 2_656 2_656
O15 Er2 Er1 42.99(16) . 2_656
O6 Er2 Er1 119.00(17) . 2_656
O7 Er2 Er1 122.43(16) . 2_656
O12 Er2 Er1 45.001(19) . 2_656
N1 Er2 Er1 69.11(17) 2_656 2_656
N5 Er2 Er1 157.66(15) . 2_656
Er1 Er2 Er1 90.28(3) . 2_656
O13 Er2 Er3 39.62(14) . .
O8 Er2 Er3 102.24(14) 2_656 .
O14 Er2 Er3 102.81(15) 2_656 .
O15 Er2 Er3 39.84(14) . .
O6 Er2 Er3 175.74(17) . .
O7 Er2 Er3 87.85(16) . .
O12 Er2 Er3 47.15(3) . .
N1 Er2 Er3 104.99(17) 2_656 .
N5 Er2 Er3 106.25(17) . .
Er1 Er2 Er3 61.16(2) . .
Er1 Er2 Er3 61.51(2) 2_656 .
O13 Er2 H7B 71.6 . .
O8 Er2 H7B 149.2 2_656 .
O14 Er2 H7B 134.7 2_656 .
O15 Er2 H7B 61.9 . .
O6 Er2 H7B 105.4 . .
O7 Er2 H7B 20.0 . .
O12 Er2 H7B 117.3 . .
N1 Er2 H7B 71.0 2_656 .
N5 Er2 H7B 87.7 . .
Er1 Er2 H7B 114.1 . .
Er1 Er2 H7B 103.9 2_656 .
Er3 Er2 H7B 70.6 . .
O13 Er3 O15 80.1(2) . .
O13 Er3 O8 127.5(2) . .
O15 Er3 O8 78.2(2) . .
O13 Er3 O14 79.3(2) . .
O15 Er3 O14 128.5(2) . .
O8 Er3 O14 78.1(2) . .
O13 Er3 O11 83.8(2) . .
O15 Er3 O11 76.3(2) . .
O8 Er3 O11 134.6(2) . .
O14 Er3 O11 146.0(2) . .
O13 Er3 O10 85.9(2) . .
O15 Er3 O10 146.0(2) . .
O8 Er3 O10 133.4(2) . .
O14 Er3 O10 78.1(2) . .
O11 Er3 O10 71.4(3) . .
O13 Er3 O9 157.2(3) . .
O15 Er3 O9 105.7(2) . .
O8 Er3 O9 75.2(2) . .
O14 Er3 O9 111.4(2) . .
O11 Er3 O9 76.4(3) . .
O10 Er3 O9 77.2(3) . .
O13 Er3 O12 63.67(15) . .
O15 Er3 O12 64.16(15) . .
O8 Er3 O12 63.84(14) . .
O14 Er3 O12 64.35(16) . .
O11 Er3 O12 131.66(18) . .
O10 Er3 O12 134.59(18) . .
O9 Er3 O12 138.9(2) . .
O13 Er3 Er2 40.89(15) . .
O15 Er3 Er2 41.85(14) . .
O8 Er3 Er2 96.90(14) . .
O14 Er3 Er2 97.47(15) . .
O11 Er3 Er2 88.43(18) . .
O10 Er3 Er2 125.51(19) . .
O9 Er3 Er2 147.27(19) . .
O12 Er3 Er2 43.50(2) . .
O13 Er3 Er1 40.35(15) . .
O15 Er3 Er1 97.44(15) . .
O8 Er3 Er1 96.70(14) . .
O14 Er3 Er1 41.80(15) . .
O11 Er3 Er1 123.31(18) . .
O10 Er3 Er1 91.37(18) . .
O9 Er3 Er1 153.1(2) . .
O12 Er3 Er1 43.54(2) . .
Er2 Er3 Er1 58.12(3) . .
O13 Er3 Er2 95.99(15) . 2_656
O15 Er3 Er2 96.00(16) . 2_656
O8 Er3 Er2 40.72(13) . 2_656
O14 Er3 Er2 40.87(16) . 2_656
O11 Er3 Er2 172.22(17) . 2_656
O10 Er3 Er2 116.33(18) . 2_656
O9 Er3 Er2 105.1(2) . 2_656
O12 Er3 Er2 42.89(3) . 2_656
Er2 Er3 Er2 86.39(3) . 2_656
Er1 Er3 Er2 58.07(3) . 2_656
O13 Er3 Er1 96.52(15) . 2_656
O15 Er3 Er1 40.51(16) . 2_656
O8 Er3 Er1 41.00(14) . 2_656
O14 Er3 Er1 96.46(16) . 2_656
O11 Er3 Er1 114.72(18) . 2_656
O10 Er3 Er1 173.54(18) . 2_656
O9 Er3 Er1 102.0(2) . 2_656
O12 Er3 Er1 43.13(2) . 2_656
Er2 Er3 Er1 58.19(2) . 2_656
Er1 Er3 Er1 86.67(4) . 2_656
Er2 Er3 Er1 57.53(3) 2_656 2_656
C1 N1 N2 107.9(8) . .
C1 N1 Er2 139.4(7) . 2_656
N2 N1 Er2 112.7(5) . 2_656
C3 N2 N1 106.4(9) . .
C3 N2 Er1 141.1(8) . .
N1 N2 Er1 111.8(5) . .
C3 N3 C1 107.0(8) . .
C3 N3 N4 126.1(10) . .
C1 N3 N4 126.9(10) . .
N3 N4 H4D 120.0 . .
N3 N4 H4E 120.0 . .
H4D N4 H4E 120.0 . .
C7 N5 N6 107.1(7) . .
C7 N5 Er2 139.4(6) . .
N6 N5 Er2 113.4(5) . .
C5 N6 N5 107.0(7) . .
C5 N6 Er1 141.8(6) . .
N5 N6 Er1 110.9(5) . .
C5 N7 C7 107.5(7) . .
C5 N7 N8 128.8(8) . .
C7 N7 N8 123.7(8) . .
N7 N8 H8D 120.0 . .
N7 N8 H8E 120.0 . .
H8D N8 H8E 120.0 . .
C11 N9 N10 106.6(10) . .
C9 N10 N9 109.4(10) . .
C11 N11 C9 105.7(9) . .
C11 N11 N12 128.0(10) . .
C9 N11 N12 126.2(10) . .
N11 N12 H12H 120.0 . .
N11 N12 H12G 120.0 . .
H12H N12 H12G 120.0 . .
H16B O1 H16A 103.6 . .
H15B O2 H15A 106.3 . .
O3 O3 H14A 108.6 2_666 .
O3 O3 H14B 143.8 2_666 .
H14A O3 H14B 107.3 . .
Er1 O4 H6D 124.7 . .
Er1 O4 H6E 90.3 . .
H6D O4 H6E 105.7 . .
Er1 O5 H5A 140.6 . .
Er1 O5 H5B 93.1 . .
H5A O5 H5B 107.0 . .
Er2 O6 H8G 132.0 . .
Er2 O6 H8F 120.8 . .
H8G O6 H8F 105.4 . .
Er2 O7 H7A 135.1 . .
Er2 O7 H7B 87.5 . .
H7A O7 H7B 105.1 . .
Er3 O8 Er2 99.8(2) . 2_656
Er3 O8 Er1 99.5(2) . 2_656
Er2 O8 Er1 93.0(2) 2_656 2_656
Er3 O9 H11A 107.0 . .
Er3 O9 H11B 143.7 . .
H11A O9 H11B 104.3 . .
Er3 O10 H10E 118.3 . .
Er3 O10 H10D 126.3 . .
H10E O10 H10D 104.5 . .
Er3 O11 H12E 99.9 . .
Er3 O11 H12F 146.6 . .
H12E O11 H12F 104.8 . .
Er2 O12 Er2 180.0 . 2_656
Er2 O12 Er1 90.28(3) . 2_656
Er2 O12 Er1 89.72(3) 2_656 2_656
Er2 O12 Er1 89.72(3) . .
Er2 O12 Er1 90.28(3) 2_656 .
Er1 O12 Er1 180.0 2_656 .
Er2 O12 Er3 90.65(4) . 2_656
Er2 O12 Er3 89.35(4) 2_656 2_656
Er1 O12 Er3 89.57(2) 2_656 2_656
Er1 O12 Er3 90.43(2) . 2_656
Er2 O12 Er3 89.35(4) . .
Er2 O12 Er3 90.65(4) 2_656 .
Er1 O12 Er3 90.43(2) 2_656 .
Er1 O12 Er3 89.57(2) . .
Er3 O12 Er3 180.0 2_656 .
Er3 O13 Er1 100.4(2) . .
Er3 O13 Er2 99.5(2) . .
Er1 O13 Er2 94.6(2) . .
Er3 O14 Er2 99.5(2) . 2_656
Er3 O14 Er1 98.0(2) . .
Er2 O14 Er1 93.1(2) 2_656 .
Er3 O15 Er1 100.5(2) . 2_656
Er3 O15 Er2 98.3(2) . .
Er1 O15 Er2 93.5(2) 2_656 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.297(11) .
C1 N3 1.346(13) .
C1 C2 1.489(15) .
C2 H2A 0.9600 .
C2 H2B 0.9600 .
C2 H2C 0.9600 .
C3 N2 1.299(12) .
C3 N3 1.318(14) .
C3 C4 1.513(15) .
C4 H4A 0.9600 .
C4 H4B 0.9600 .
C4 H4C 0.9600 .
C5 N6 1.293(11) .
C5 N7 1.340(11) .
C5 C6 1.471(12) .
C6 H6A 0.9600 .
C6 H6B 0.9600 .
C6 H6C 0.9600 .
C7 N5 1.292(11) .
C7 N7 1.356(11) .
C7 C8 1.472(13) .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 N10 1.263(14) .
C9 N11 1.377(14) .
C9 C10 1.469(16) .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 N9 1.311(14) .
C11 N11 1.358(14) .
C11 C12 1.483(15) .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
Er1 O13 2.324(6) .
Er1 O15 2.350(7) 2_656
Er1 O8 2.367(6) 2_656
Er1 O5 2.367(6) .
Er1 O14 2.377(6) .
Er1 O4 2.394(7) .
Er1 O12 2.4326(8) .
Er1 N6 2.665(8) .
Er1 N2 2.759(8) .
Er1 Er2 3.4236(12) .
Er1 Er2 3.4402(12) 2_656
Er1 Er3 3.5316(9) .
Er2 O13 2.334(6) .
Er2 O8 2.355(5) 2_656
Er2 O14 2.360(6) 2_656
Er2 O15 2.371(6) .
Er2 O6 2.377(6) .
Er2 O7 2.383(7) .
Er2 O12 2.4208(7) .
Er2 N1 2.642(7) 2_656
Er2 N5 2.655(7) .
Er2 Er1 3.4402(12) 2_656
Er2 Er3 3.5166(11) .
Er2 H7B 2.4970 .
Er3 O13 2.274(6) .
Er3 O15 2.277(6) .
Er3 O8 2.293(6) .
Er3 O14 2.301(5) .
Er3 O11 2.361(7) .
Er3 O10 2.388(7) .
Er3 O9 2.409(7) .
Er3 O12 2.5783(12) .
Er3 Er2 3.557(2) 2_656
Er3 Er1 3.5579(12) 2_656
N1 N2 1.376(11) .
N1 Er2 2.642(7) 2_656
N3 N4 1.411(11) .
N4 H4D 0.8600 .
N4 H4E 0.8600 .
N5 N6 1.416(10) .
N7 N8 1.403(11) .
N8 H8D 0.8600 .
N8 H8E 0.8600 .
N9 N10 1.384(13) .
N11 N12 1.398(12) .
N12 H12H 0.8600 .
N12 H12G 0.8600 .
O1 H16B 0.8619 .
O1 H16A 0.8842 .
O2 H15B 0.8507 .
O2 H15A 0.8648 .
O3 O3 0.925(14) 2_666
O3 H14A 0.8489 .
O3 H14B 0.8552 .
O4 H6D 0.8496 .
O4 H6E 0.8725 .
O5 H5A 0.8539 .
O5 H5B 0.8534 .
O6 H8G 0.8617 .
O6 H8F 0.8635 .
O7 H7A 0.8723 .
O7 H7B 0.8566 .
O8 Er2 2.355(5) 2_656
O8 Er1 2.367(6) 2_656
O9 H11A 0.8756 .
O9 H11B 0.8624 .
O10 H10E 0.8675 .
O10 H10D 0.8686 .
O11 H12E 0.8658 .
O11 H12F 0.8674 .
O12 Er2 2.4208(8) 2_656
O12 Er1 2.4326(8) 2_656
O12 Er3 2.5783(12) 2_656
O14 Er2 2.359(6) 2_656
O15 Er1 2.350(7) 2_656
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_4
O15 Er1 Er2 O13 145.2(3) 2_656 .
O8 Er1 Er2 O13 -156.4(3) 2_656 .
O5 Er1 Er2 O13 -129.4(3) . .
O14 Er1 Er2 O13 59.9(3) . .
O4 Er1 Er2 O13 -22.1(3) . .
O12 Er1 Er2 O13 102.4(2) . .
N6 Er1 Er2 O13 -78.2(3) . .
N2 Er1 Er2 O13 100.3(5) . .
Er2 Er1 Er2 O13 102.4(2) 2_656 .
Er3 Er1 Er2 O13 45.5(2) . .
O13 Er1 Er2 O8 156.4(3) . 2_656
O15 Er1 Er2 O8 -58.5(3) 2_656 2_656
O5 Er1 Er2 O8 26.9(3) . 2_656
O14 Er1 Er2 O8 -143.8(3) . 2_656
O4 Er1 Er2 O8 134.2(3) . 2_656
O12 Er1 Er2 O8 -101.3(2) . 2_656
N6 Er1 Er2 O8 78.1(3) . 2_656
N2 Er1 Er2 O8 -103.3(5) . 2_656
Er2 Er1 Er2 O8 -101.3(2) 2_656 2_656
Er3 Er1 Er2 O8 -158.1(2) . 2_656
O13 Er1 Er2 O14 -145.3(3) . 2_656
O15 Er1 Er2 O14 -0.2(2) 2_656 2_656
O8 Er1 Er2 O14 58.3(3) 2_656 2_656
O5 Er1 Er2 O14 85.3(3) . 2_656
O14 Er1 Er2 O14 -85.4(2) . 2_656
O4 Er1 Er2 O14 -167.5(2) . 2_656
O12 Er1 Er2 O14 -42.95(14) . 2_656
N6 Er1 Er2 O14 136.5(2) . 2_656
N2 Er1 Er2 O14 -45.0(4) . 2_656
Er2 Er1 Er2 O14 -42.95(14) 2_656 2_656
Er3 Er1 Er2 O14 -99.77(15) . 2_656
O13 Er1 Er2 O15 -60.0(3) . .
O15 Er1 Er2 O15 85.2(2) 2_656 .
O8 Er1 Er2 O15 143.6(3) 2_656 .
O5 Er1 Er2 O15 170.6(3) . .
O14 Er1 Er2 O15 -0.1(2) . .
O4 Er1 Er2 O15 -82.1(3) . .
O12 Er1 Er2 O15 42.37(16) . .
N6 Er1 Er2 O15 -138.2(2) . .
N2 Er1 Er2 O15 40.3(4) . .
Er2 Er1 Er2 O15 42.37(16) 2_656 .
Er3 Er1 Er2 O15 -14.45(16) . .
O13 Er1 Er2 O6 132.3(3) . .
O15 Er1 Er2 O6 -82.6(3) 2_656 .
O8 Er1 Er2 O6 -24.1(3) 2_656 .
O5 Er1 Er2 O6 2.8(3) . .
O14 Er1 Er2 O6 -167.9(3) . .
O4 Er1 Er2 O6 110.1(3) . .
O12 Er1 Er2 O6 -125.4(2) . .
N6 Er1 Er2 O6 54.0(3) . .
N2 Er1 Er2 O6 -127.4(5) . .
Er2 Er1 Er2 O6 -125.4(2) 2_656 .
Er3 Er1 Er2 O6 177.8(2) . .
O13 Er1 Er2 O7 25.0(3) . .
O15 Er1 Er2 O7 170.1(2) 2_656 .
O8 Er1 Er2 O7 -131.4(3) 2_656 .
O5 Er1 Er2 O7 -104.5(3) . .
O14 Er1 Er2 O7 84.8(2) . .
O4 Er1 Er2 O7 2.8(3) . .
O12 Er1 Er2 O7 127.33(18) . .
N6 Er1 Er2 O7 -53.3(3) . .
N2 Er1 Er2 O7 125.3(4) . .
Er2 Er1 Er2 O7 127.33(18) 2_656 .
Er3 Er1 Er2 O7 70.51(18) . .
O13 Er1 Er2 O12 -102.4(2) . .
O15 Er1 Er2 O12 42.79(14) 2_656 .
O8 Er1 Er2 O12 101.3(2) 2_656 .
O5 Er1 Er2 O12 128.2(2) . .
O14 Er1 Er2 O12 -42.49(15) . .
O4 Er1 Er2 O12 -124.5(2) . .
N6 Er1 Er2 O12 179.41(18) . .
N2 Er1 Er2 O12 -2.0(4) . .
Er2 Er1 Er2 O12 0.0 2_656 .
Er3 Er1 Er2 O12 -56.82(3) . .
O13 Er1 Er2 N1 -97.1(6) . 2_656
O15 Er1 Er2 N1 48.1(5) 2_656 2_656
O8 Er1 Er2 N1 106.5(6) 2_656 2_656
O5 Er1 Er2 N1 133.5(6) . 2_656
O14 Er1 Er2 N1 -37.2(5) . 2_656
O4 Er1 Er2 N1 -119.2(6) . 2_656
O12 Er1 Er2 N1 5.3(5) . 2_656
N6 Er1 Er2 N1 -175.3(5) . 2_656
N2 Er1 Er2 N1 3.2(6) . 2_656
Er2 Er1 Er2 N1 5.3(5) 2_656 2_656
Er3 Er1 Er2 N1 -51.5(5) . 2_656
O13 Er1 Er2 N5 79.5(3) . .
O15 Er1 Er2 N5 -135.3(2) 2_656 .
O8 Er1 Er2 N5 -76.8(3) 2_656 .
O5 Er1 Er2 N5 -49.9(3) . .
O14 Er1 Er2 N5 139.4(2) . .
O4 Er1 Er2 N5 57.4(3) . .
O12 Er1 Er2 N5 -178.11(19) . .
N6 Er1 Er2 N5 1.3(3) . .
N2 Er1 Er2 N5 179.8(4) . .
Er2 Er1 Er2 N5 -178.11(19) 2_656 .
Er3 Er1 Er2 N5 125.07(19) . .
O13 Er1 Er2 Er1 -102.4(2) . 2_656
O15 Er1 Er2 Er1 42.79(14) 2_656 2_656
O8 Er1 Er2 Er1 101.3(2) 2_656 2_656
O5 Er1 Er2 Er1 128.2(2) . 2_656
O14 Er1 Er2 Er1 -42.49(15) . 2_656
O4 Er1 Er2 Er1 -124.5(2) . 2_656
O12 Er1 Er2 Er1 0.0 . 2_656
N6 Er1 Er2 Er1 179.41(18) . 2_656
N2 Er1 Er2 Er1 -2.0(4) . 2_656
Er2 Er1 Er2 Er1 0.0 2_656 2_656
Er3 Er1 Er2 Er1 -56.82(3) . 2_656
O13 Er1 Er2 Er3 -45.5(2) . .
O15 Er1 Er2 Er3 99.61(15) 2_656 .
O8 Er1 Er2 Er3 158.1(2) 2_656 .
O5 Er1 Er2 Er3 -175.0(2) . .
O14 Er1 Er2 Er3 14.33(15) . .
O4 Er1 Er2 Er3 -67.7(2) . .
O12 Er1 Er2 Er3 56.82(3) . .
N6 Er1 Er2 Er3 -123.78(18) . .
N2 Er1 Er2 Er3 54.8(4) . .
Er2 Er1 Er2 Er3 56.82(3) 2_656 .
O8 Er2 Er3 O13 64.5(3) 2_656 .
O14 Er2 Er3 O13 142.5(3) 2_656 .
O15 Er2 Er3 O13 -153.4(3) . .
O6 Er2 Er3 O13 -105(2) . .
O7 Er2 Er3 O13 -73.9(3) . .
O12 Er2 Er3 O13 103.4(2) . .
N1 Er2 Er3 O13 -147.4(3) 2_656 .
N5 Er2 Er3 O13 -2.7(3) . .
Er1 Er2 Er3 O13 49.2(2) . .
Er1 Er2 Er3 O13 157.0(2) 2_656 .
O13 Er2 Er3 O15 153.4(3) . .
O8 Er2 Er3 O15 -142.1(3) 2_656 .
O14 Er2 Er3 O15 -64.1(3) 2_656 .
O6 Er2 Er3 O15 48(2) . .
O7 Er2 Er3 O15 79.6(3) . .
O12 Er2 Er3 O15 -103.1(2) . .
N1 Er2 Er3 O15 6.0(3) 2_656 .
N5 Er2 Er3 O15 150.7(3) . .
Er1 Er2 Er3 O15 -157.3(2) . .
Er1 Er2 Er3 O15 -49.6(2) 2_656 .
O13 Er2 Er3 O8 -142.9(3) . .
O8 Er2 Er3 O8 -78.3(2) 2_656 .
O14 Er2 Er3 O8 -0.39(18) 2_656 .
O15 Er2 Er3 O8 63.7(3) . .
O6 Er2 Er3 O8 112(2) . .
O7 Er2 Er3 O8 143.3(2) . .
O12 Er2 Er3 O8 -39.41(13) . .
N1 Er2 Er3 O8 69.7(2) 2_656 .
N5 Er2 Er3 O8 -145.6(2) . .
Er1 Er2 Er3 O8 -93.62(14) . .
Er1 Er2 Er3 O8 14.16(13) 2_656 .
O13 Er2 Er3 O14 -64.0(3) . .
O8 Er2 Er3 O14 0.5(2) 2_656 .
O14 Er2 Er3 O14 78.4(2) 2_656 .
O15 Er2 Er3 O14 142.6(3) . .
O6 Er2 Er3 O14 -169(2) . .
O7 Er2 Er3 O14 -137.9(2) . .
O12 Er2 Er3 O14 39.42(15) . .
N1 Er2 Er3 O14 148.6(2) 2_656 .
N5 Er2 Er3 O14 -66.7(2) . .
Er1 Er2 Er3 O14 -14.78(15) . .
Er1 Er2 Er3 O14 92.99(16) 2_656 .
O13 Er2 Er3 O11 82.4(3) . .
O8 Er2 Er3 O11 146.9(2) 2_656 .
O14 Er2 Er3 O11 -135.2(2) 2_656 .
O15 Er2 Er3 O11 -71.0(3) . .
O6 Er2 Er3 O11 -23(2) . .
O7 Er2 Er3 O11 8.5(2) . .
O12 Er2 Er3 O11 -174.19(17) . .
N1 Er2 Er3 O11 -65.0(3) 2_656 .
N5 Er2 Er3 O11 79.7(2) . .
Er1 Er2 Er3 O11 131.61(18) . .
Er1 Er2 Er3 O11 -120.62(18) 2_656 .
O13 Er2 Er3 O10 16.6(3) . .
O8 Er2 Er3 O10 81.1(3) 2_656 .
O14 Er2 Er3 O10 159.1(3) 2_656 .
O15 Er2 Er3 O10 -136.8(3) . .
O6 Er2 Er3 O10 -88(2) . .
O7 Er2 Er3 O10 -57.3(3) . .
O12 Er2 Er3 O10 120.1(2) . .
N1 Er2 Er3 O10 -130.8(3) 2_656 .
N5 Er2 Er3 O10 13.9(3) . .
Er1 Er2 Er3 O10 65.9(2) . .
Er1 Er2 Er3 O10 173.6(2) 2_656 .
O13 Er2 Er3 O9 143.8(4) . .
O8 Er2 Er3 O9 -151.6(4) 2_656 .
O14 Er2 Er3 O9 -73.7(4) 2_656 .
O15 Er2 Er3 O9 -9.6(4) . .
O6 Er2 Er3 O9 39(2) . .
O7 Er2 Er3 O9 70.0(4) . .
O12 Er2 Er3 O9 -112.7(4) . .
N1 Er2 Er3 O9 -3.6(4) 2_656 .
N5 Er2 Er3 O9 141.1(4) . .
Er1 Er2 Er3 O9 -166.9(4) . .
Er1 Er2 Er3 O9 -59.1(4) 2_656 .
O13 Er2 Er3 O12 -103.4(2) . .
O8 Er2 Er3 O12 -38.92(16) 2_656 .
O14 Er2 Er3 O12 39.02(13) 2_656 .
O15 Er2 Er3 O12 103.1(2) . .
O6 Er2 Er3 O12 152(2) . .
O7 Er2 Er3 O12 -177.31(15) . .
N1 Er2 Er3 O12 109.14(19) 2_656 .
N5 Er2 Er3 O12 -106.15(17) . .
Er1 Er2 Er3 O12 -54.21(3) . .
Er1 Er2 Er3 O12 53.57(3) 2_656 .
O13 Er2 Er3 Er1 -49.2(2) . .
O8 Er2 Er3 Er1 15.29(16) 2_656 .
O14 Er2 Er3 Er1 93.23(14) 2_656 .
O15 Er2 Er3 Er1 157.3(2) . .
O6 Er2 Er3 Er1 -154(2) . .
O7 Er2 Er3 Er1 -123.10(16) . .
O12 Er2 Er3 Er1 54.21(3) . .
N1 Er2 Er3 Er1 163.35(19) 2_656 .
N5 Er2 Er3 Er1 -51.94(17) . .
Er1 Er2 Er3 Er1 107.77(4) 2_656 .
O13 Er2 Er3 Er2 -103.4(2) . 2_656
O8 Er2 Er3 Er2 -38.92(16) 2_656 2_656
O14 Er2 Er3 Er2 39.02(13) 2_656 2_656
O15 Er2 Er3 Er2 103.1(2) . 2_656
O6 Er2 Er3 Er2 152(2) . 2_656
O7 Er2 Er3 Er2 -177.31(15) . 2_656
O12 Er2 Er3 Er2 0.0 . 2_656
N1 Er2 Er3 Er2 109.14(19) 2_656 2_656
N5 Er2 Er3 Er2 -106.15(17) . 2_656
Er1 Er2 Er3 Er2 -54.21(3) . 2_656
Er1 Er2 Er3 Er2 53.57(3) 2_656 2_656
O13 Er2 Er3 Er1 -157.0(2) . 2_656
O8 Er2 Er3 Er1 -92.48(16) 2_656 2_656
O14 Er2 Er3 Er1 -14.55(13) 2_656 2_656
O15 Er2 Er3 Er1 49.6(2) . 2_656
O6 Er2 Er3 Er1 98(2) . 2_656
O7 Er2 Er3 Er1 129.12(16) . 2_656
O12 Er2 Er3 Er1 -53.57(3) . 2_656
N1 Er2 Er3 Er1 55.58(19) 2_656 2_656
N5 Er2 Er3 Er1 -159.71(16) . 2_656
Er1 Er2 Er3 Er1 -107.77(4) . 2_656
O15 Er1 Er3 O13 -142.5(3) 2_656 .
O8 Er1 Er3 O13 -65.2(3) 2_656 .
O5 Er1 Er3 O13 62(2) . .
O14 Er1 Er3 O13 152.3(3) . .
O4 Er1 Er3 O13 78.5(3) . .
O12 Er1 Er3 O13 -104.1(2) . .
N6 Er1 Er3 O13 3.2(3) . .
N2 Er1 Er3 O13 150.4(3) . .
Er2 Er1 Er3 O13 -50.0(2) . .
Er2 Er1 Er3 O13 -157.5(2) 2_656 .
O13 Er1 Er3 O15 65.0(3) . .
O15 Er1 Er3 O15 -77.5(2) 2_656 .
O8 Er1 Er3 O15 -0.1(2) 2_656 .
O5 Er1 Er3 O15 127(2) . .
O14 Er1 Er3 O15 -142.7(3) . .
O4 Er1 Er3 O15 143.5(2) . .
O12 Er1 Er3 O15 -39.13(16) . .
N6 Er1 Er3 O15 68.2(2) . .
N2 Er1 Er3 O15 -144.6(2) . .
Er2 Er1 Er3 O15 15.02(16) . .
Er2 Er1 Er3 O15 -92.45(16) 2_656 .
O13 Er1 Er3 O8 144.0(3) . .
O15 Er1 Er3 O8 1.5(2) 2_656 .
O8 Er1 Er3 O8 78.8(2) 2_656 .
O5 Er1 Er3 O8 -154(2) . .
O14 Er1 Er3 O8 -63.7(3) . .
O4 Er1 Er3 O8 -137.5(2) . .
O12 Er1 Er3 O8 39.82(14) . .
N6 Er1 Er3 O8 147.2(2) . .
N2 Er1 Er3 O8 -65.7(2) . .
Er2 Er1 Er3 O8 93.98(14) . .
Er2 Er1 Er3 O8 -13.49(14) 2_656 .
O13 Er1 Er3 O14 -152.3(3) . .
O15 Er1 Er3 O14 65.2(3) 2_656 .
O8 Er1 Er3 O14 142.5(3) 2_656 .
O5 Er1 Er3 O14 -90(2) . .
O4 Er1 Er3 O14 -73.8(3) . .
O12 Er1 Er3 O14 103.5(2) . .
N6 Er1 Er3 O14 -149.1(3) . .
N2 Er1 Er3 O14 -1.9(3) . .
Er2 Er1 Er3 O14 157.7(2) . .
Er2 Er1 Er3 O14 50.2(2) 2_656 .
O13 Er1 Er3 O11 -13.4(3) . .
O15 Er1 Er3 O11 -155.9(3) 2_656 .
O8 Er1 Er3 O11 -78.6(3) 2_656 .
O5 Er1 Er3 O11 49(2) . .
O14 Er1 Er3 O11 138.9(3) . .
O4 Er1 Er3 O11 65.1(3) . .
O12 Er1 Er3 O11 -117.6(2) . .
N6 Er1 Er3 O11 -10.2(3) . .
N2 Er1 Er3 O11 136.9(3) . .
Er2 Er1 Er3 O11 -63.4(2) . .
Er2 Er1 Er3 O11 -170.9(2) 2_656 .
O13 Er1 Er3 O10 -82.0(3) . .
O15 Er1 Er3 O10 135.5(2) 2_656 .
O8 Er1 Er3 O10 -147.2(2) 2_656 .
O5 Er1 Er3 O10 -20(2) . .
O14 Er1 Er3 O10 70.3(3) . .
O4 Er1 Er3 O10 -3.5(2) . .
O12 Er1 Er3 O10 173.83(19) . .
N6 Er1 Er3 O10 -78.8(3) . .
N2 Er1 Er3 O10 68.3(3) . .
Er2 Er1 Er3 O10 -132.01(19) . .
Er2 Er1 Er3 O10 120.52(19) 2_656 .
O13 Er1 Er3 O9 -145.7(5) . .
O15 Er1 Er3 O9 71.8(5) 2_656 .
O8 Er1 Er3 O9 149.2(5) 2_656 .
O5 Er1 Er3 O9 -84(2) . .
O14 Er1 Er3 O9 6.6(5) . .
O4 Er1 Er3 O9 -67.1(5) . .
O12 Er1 Er3 O9 110.2(4) . .
N6 Er1 Er3 O9 -142.4(5) . .
N2 Er1 Er3 O9 4.7(5) . .
Er2 Er1 Er3 O9 164.3(4) . .
Er2 Er1 Er3 O9 56.9(4) 2_656 .
O13 Er1 Er3 O12 104.1(2) . .
O15 Er1 Er3 O12 -38.35(15) 2_656 .
O8 Er1 Er3 O12 38.98(16) 2_656 .
O5 Er1 Er3 O12 166.3(19) . .
O14 Er1 Er3 O12 -103.5(2) . .
O4 Er1 Er3 O12 -177.32(17) . .
N6 Er1 Er3 O12 107.38(17) . .
N2 Er1 Er3 O12 -105.49(18) . .
Er2 Er1 Er3 O12 54.15(3) . .
Er2 Er1 Er3 O12 -53.32(3) 2_656 .
O13 Er1 Er3 Er2 50.0(2) . .
O15 Er1 Er3 Er2 -92.50(15) 2_656 .
O8 Er1 Er3 Er2 -15.17(16) 2_656 .
O5 Er1 Er3 Er2 112.2(19) . .
O14 Er1 Er3 Er2 -157.7(2) . .
O4 Er1 Er3 Er2 128.53(17) . .
O12 Er1 Er3 Er2 -54.15(3) . .
N6 Er1 Er3 Er2 53.22(17) . .
N2 Er1 Er3 Er2 -159.64(18) . .
Er2 Er1 Er3 Er2 -107.47(2) 2_656 .
O13 Er1 Er3 Er2 157.5(2) . 2_656
O15 Er1 Er3 Er2 14.97(14) 2_656 2_656
O8 Er1 Er3 Er2 92.30(16) 2_656 2_656
O5 Er1 Er3 Er2 -140.4(19) . 2_656
O14 Er1 Er3 Er2 -50.2(2) . 2_656
O4 Er1 Er3 Er2 -124.00(17) . 2_656
O12 Er1 Er3 Er2 53.32(3) . 2_656
N6 Er1 Er3 Er2 160.70(17) . 2_656
N2 Er1 Er3 Er2 -52.17(18) . 2_656
Er2 Er1 Er3 Er2 107.47(2) . 2_656
O13 Er1 Er3 Er1 104.1(2) . 2_656
O15 Er1 Er3 Er1 -38.35(15) 2_656 2_656
O8 Er1 Er3 Er1 38.98(16) 2_656 2_656
O5 Er1 Er3 Er1 166.3(19) . 2_656
O14 Er1 Er3 Er1 -103.5(2) . 2_656
O4 Er1 Er3 Er1 -177.32(17) . 2_656
O12 Er1 Er3 Er1 0.0 . 2_656
N6 Er1 Er3 Er1 107.38(17) . 2_656
N2 Er1 Er3 Er1 -105.49(18) . 2_656
Er2 Er1 Er3 Er1 54.15(3) . 2_656
Er2 Er1 Er3 Er1 -53.32(3) 2_656 2_656
N3 C1 N1 N2 -1.5(11) . .
C2 C1 N1 N2 -179.2(10) . .
N3 C1 N1 Er2 -178.5(7) . 2_656
C2 C1 N1 Er2 3.8(17) . 2_656
N3 C3 N2 N1 -1.8(11) . .
C4 C3 N2 N1 -176.8(10) . .
N3 C3 N2 Er1 -171.1(7) . .
C4 C3 N2 Er1 13.9(18) . .
C1 N1 N2 C3 2.0(11) . .
Er2 N1 N2 C3 179.9(6) 2_656 .
C1 N1 N2 Er1 174.8(6) . .
Er2 N1 N2 Er1 -7.3(7) 2_656 .
O13 Er1 N2 C3 -109.2(10) . .
O15 Er1 N2 C3 126.6(11) 2_656 .
O8 Er1 N2 C3 100.0(11) 2_656 .
O5 Er1 N2 C3 39.2(11) . .
O14 Er1 N2 C3 -137.4(11) . .
O4 Er1 N2 C3 -51.5(11) . .
O12 Er1 N2 C3 175.3(10) . .
N6 Er1 N2 C3 -5.1(12) . .
Er2 Er1 N2 C3 176.8(8) . .
Er2 Er1 N2 C3 174.6(11) 2_656 .
Er3 Er1 N2 C3 -136.0(10) . .
O13 Er1 N2 N1 81.8(7) . .
O15 Er1 N2 N1 -42.4(6) 2_656 .
O8 Er1 N2 N1 -68.9(7) 2_656 .
O5 Er1 N2 N1 -129.7(6) . .
O14 Er1 N2 N1 53.7(6) . .
O4 Er1 N2 N1 139.5(6) . .
O12 Er1 N2 N1 6.3(6) . .
N6 Er1 N2 N1 -174.1(5) . .
Er2 Er1 N2 N1 7.9(9) . .
Er2 Er1 N2 N1 5.6(5) 2_656 .
Er3 Er1 N2 N1 55.1(6) . .
N2 C3 N3 C1 0.9(12) . .
C4 C3 N3 C1 176.1(10) . .
N2 C3 N3 N4 -178.3(9) . .
C4 C3 N3 N4 -3.0(17) . .
N1 C1 N3 C3 0.5(11) . .
C2 C1 N3 C3 178.2(10) . .
N1 C1 N3 N4 179.6(10) . .
C2 C1 N3 N4 -2.7(17) . .
N7 C7 N5 N6 0.0(11) . .
C8 C7 N5 N6 179.9(9) . .
N7 C7 N5 Er2 -176.3(6) . .
C8 C7 N5 Er2 3.6(18) . .
O13 Er2 N5 C7 -139.8(11) . .
O8 Er2 N5 C7 125.9(11) 2_656 .
O14 Er2 N5 C7 93.9(10) 2_656 .
O15 Er2 N5 C7 -109.6(10) . .
O6 Er2 N5 C7 37.7(10) . .
O7 Er2 N5 C7 -55.6(10) . .
O12 Er2 N5 C7 172.3(10) . .
N1 Er2 N5 C7 -7.9(12) 2_656 .
Er1 Er2 N5 C7 173.7(11) . .
Er1 Er2 N5 C7 168.8(8) 2_656 .
Er3 Er2 N5 C7 -138.0(10) . .
O13 Er2 N5 N6 44.0(5) . .
O8 Er2 N5 N6 -50.3(5) 2_656 .
O14 Er2 N5 N6 -82.3(6) 2_656 .
O15 Er2 N5 N6 74.2(6) . .
O6 Er2 N5 N6 -138.5(6) . .
O7 Er2 N5 N6 128.2(6) . .
O12 Er2 N5 N6 -3.9(6) . .
N1 Er2 N5 N6 175.9(5) 2_656 .
Er1 Er2 N5 N6 -2.5(5) . .
Er1 Er2 N5 N6 -7.4(9) 2_656 .
Er3 Er2 N5 N6 45.8(6) . .
N7 C5 N6 N5 -1.0(10) . .
C6 C5 N6 N5 179.3(9) . .
N7 C5 N6 Er1 171.3(7) . .
C6 C5 N6 Er1 -8.4(17) . .
C7 N5 N6 C5 0.6(10) . .
Er2 N5 N6 C5 178.0(6) . .
C7 N5 N6 Er1 -174.3(6) . .
Er2 N5 N6 Er1 3.1(6) . .
O13 Er1 N6 C5 138.9(11) . .
O15 Er1 N6 C5 -95.8(10) 2_656 .
O8 Er1 N6 C5 -127.3(11) 2_656 .
O5 Er1 N6 C5 -39.1(10) . .
O14 Er1 N6 C5 107.3(10) . .
O4 Er1 N6 C5 51.8(10) . .
O12 Er1 N6 C5 -174.0(10) . .
N2 Er1 N6 C5 6.4(12) . .
Er2 Er1 N6 C5 -174.5(11) . .
Er2 Er1 N6 C5 -172.9(8) 2_656 .
Er3 Er1 N6 C5 136.7(10) . .
O13 Er1 N6 N5 -49.0(5) . .
O15 Er1 N6 N5 76.3(6) 2_656 .
O8 Er1 N6 N5 44.8(5) 2_656 .
O5 Er1 N6 N5 133.0(6) . .
O14 Er1 N6 N5 -80.6(6) . .
O4 Er1 N6 N5 -136.1(6) . .
O12 Er1 N6 N5 -1.9(6) . .
N2 Er1 N6 N5 178.5(5) . .
Er2 Er1 N6 N5 -2.4(5) . .
Er2 Er1 N6 N5 -0.8(9) 2_656 .
Er3 Er1 N6 N5 -51.2(5) . .
N6 C5 N7 C7 1.0(11) . .
C6 C5 N7 C7 -179.3(9) . .
N6 C5 N7 N8 178.5(9) . .
C6 C5 N7 N8 -1.8(16) . .
N5 C7 N7 C5 -0.6(11) . .
C8 C7 N7 C5 179.5(9) . .
N5 C7 N7 N8 -178.2(9) . .
C8 C7 N7 N8 1.8(15) . .
N11 C11 N9 N10 0.6(12) . .
C12 C11 N9 N10 179.2(11) . .
N11 C9 N10 N9 0.0(12) . .
C10 C9 N10 N9 179.5(11) . .
C11 N9 N10 C9 -0.4(12) . .
N9 C11 N11 C9 -0.6(12) . .
C12 C11 N11 C9 -179.3(10) . .
N9 C11 N11 N12 -177.9(9) . .
C12 C11 N11 N12 3.4(17) . .
N10 C9 N11 C11 0.3(11) . .
C10 C9 N11 C11 -179.1(10) . .
N10 C9 N11 N12 177.7(9) . .
C10 C9 N11 N12 -1.7(17) . .
O13 Er3 O8 Er2 46.4(3) . 2_656
O15 Er3 O8 Er2 113.9(2) . 2_656
O14 Er3 O8 Er2 -20.0(2) . 2_656
O11 Er3 O8 Er2 170.9(3) . 2_656
O10 Er3 O8 Er2 -80.6(3) . 2_656
O9 Er3 O8 Er2 -136.1(3) . 2_656
O12 Er3 O8 Er2 47.11(13) . 2_656
Er2 Er3 O8 Er2 76.25(17) . 2_656
Er1 Er3 O8 Er2 17.67(18) . 2_656
Er1 Er3 O8 Er2 94.7(2) 2_656 2_656
O13 Er3 O8 Er1 -48.3(3) . 2_656
O15 Er3 O8 Er1 19.2(2) . 2_656
O14 Er3 O8 Er1 -114.7(2) . 2_656
O11 Er3 O8 Er1 76.2(3) . 2_656
O10 Er3 O8 Er1 -175.3(2) . 2_656
O9 Er3 O8 Er1 129.2(3) . 2_656
O12 Er3 O8 Er1 -47.60(12) . 2_656
Er2 Er3 O8 Er1 -18.47(16) . 2_656
Er1 Er3 O8 Er1 -77.04(16) . 2_656
Er2 Er3 O8 Er1 -94.7(2) 2_656 2_656
O13 Er2 O12 Er2 83(12) . 2_656
O8 Er2 O12 Er2 178(12) 2_656 2_656
O14 Er2 O12 Er2 -98(12) 2_656 2_656
O15 Er2 O12 Er2 -3(12) . 2_656
O6 Er2 O12 Er2 -137(12) . 2_656
O7 Er2 O12 Er2 44(12) . 2_656
N1 Er2 O12 Er2 -48(12) 2_656 2_656
N5 Er2 O12 Er2 132(12) . 2_656
Er1 Er2 O12 Er2 130(12) . 2_656
Er1 Er2 O12 Er2 -50(12) 2_656 2_656
Er3 Er2 O12 Er2 40(12) . 2_656
O13 Er2 O12 Er1 133.40(15) . 2_656
O8 Er2 O12 Er1 -131.97(16) 2_656 2_656
O14 Er2 O12 Er1 -47.40(15) 2_656 2_656
O15 Er2 O12 Er1 47.12(17) . 2_656
O6 Er2 O12 Er1 -86.6(2) . 2_656
O7 Er2 O12 Er1 94.2(2) . 2_656
N1 Er2 O12 Er1 2.0(2) 2_656 2_656
N5 Er2 O12 Er1 -178.11(18) . 2_656
Er1 Er2 O12 Er1 180.0 . 2_656
Er3 Er2 O12 Er1 90.42(2) . 2_656
O13 Er2 O12 Er1 -46.60(15) . .
O8 Er2 O12 Er1 48.03(16) 2_656 .
O14 Er2 O12 Er1 132.60(15) 2_656 .
O15 Er2 O12 Er1 -132.88(17) . .
O6 Er2 O12 Er1 93.4(2) . .
O7 Er2 O12 Er1 -85.8(2) . .
N1 Er2 O12 Er1 -178.0(2) 2_656 .
N5 Er2 O12 Er1 1.89(18) . .
Er1 Er2 O12 Er1 180.0 2_656 .
Er3 Er2 O12 Er1 -89.58(2) . .
O13 Er2 O12 Er3 -137.03(15) . 2_656
O8 Er2 O12 Er3 -42.39(16) 2_656 2_656
O14 Er2 O12 Er3 42.17(15) 2_656 2_656
O15 Er2 O12 Er3 136.70(17) . 2_656
O6 Er2 O12 Er3 2.9(2) . 2_656
O7 Er2 O12 Er3 -176.2(2) . 2_656
N1 Er2 O12 Er3 91.6(2) 2_656 2_656
N5 Er2 O12 Er3 -88.53(19) . 2_656
Er1 Er2 O12 Er3 -90.42(2) . 2_656
Er1 Er2 O12 Er3 89.58(2) 2_656 2_656
Er3 Er2 O12 Er3 180.0 . 2_656
O13 Er2 O12 Er3 42.98(15) . .
O8 Er2 O12 Er3 137.61(16) 2_656 .
O14 Er2 O12 Er3 -137.83(15) 2_656 .
O15 Er2 O12 Er3 -43.30(17) . .
O6 Er2 O12 Er3 -177.1(2) . .
O7 Er2 O12 Er3 3.8(2) . .
N1 Er2 O12 Er3 -88.4(2) 2_656 .
N5 Er2 O12 Er3 91.47(19) . .
Er1 Er2 O12 Er3 89.58(2) . .
Er1 Er2 O12 Er3 -90.42(2) 2_656 .
O13 Er1 O12 Er2 46.88(15) . .
O15 Er1 O12 Er2 -132.39(16) 2_656 .
O8 Er1 O12 Er2 -47.89(16) 2_656 .
O5 Er1 O12 Er2 -89.0(2) . .
O14 Er1 O12 Er2 132.84(16) . .
O4 Er1 O12 Er2 93.2(2) . .
N6 Er1 O12 Er2 -0.60(18) . .
N2 Er1 O12 Er2 179.10(18) . .
Er2 Er1 O12 Er2 180.0 2_656 .
Er3 Er1 O12 Er2 89.35(4) . .
O13 Er1 O12 Er2 -133.12(15) . 2_656
O15 Er1 O12 Er2 47.61(16) 2_656 2_656
O8 Er1 O12 Er2 132.11(16) 2_656 2_656
O5 Er1 O12 Er2 91.0(2) . 2_656
O14 Er1 O12 Er2 -47.16(16) . 2_656
O4 Er1 O12 Er2 -86.8(2) . 2_656
N6 Er1 O12 Er2 179.40(18) . 2_656
N2 Er1 O12 Er2 -0.90(18) . 2_656
Er2 Er1 O12 Er2 180.0 . 2_656
Er3 Er1 O12 Er2 -90.65(4) . 2_656
O13 Er1 O12 Er1 -131(5) . 2_656
O15 Er1 O12 Er1 50(5) 2_656 2_656
O8 Er1 O12 Er1 134(5) 2_656 2_656
O5 Er1 O12 Er1 93(5) . 2_656
O14 Er1 O12 Er1 -45(5) . 2_656
O4 Er1 O12 Er1 -85(5) . 2_656
N6 Er1 O12 Er1 -178(5) . 2_656
N2 Er1 O12 Er1 1(5) . 2_656
Er2 Er1 O12 Er1 -178(5) . 2_656
Er2 Er1 O12 Er1 2(5) 2_656 2_656
Er3 Er1 O12 Er1 -89(5) . 2_656
O13 Er1 O12 Er3 137.52(15) . 2_656
O15 Er1 O12 Er3 -41.74(16) 2_656 2_656
O8 Er1 O12 Er3 42.75(16) 2_656 2_656
O5 Er1 O12 Er3 1.6(2) . 2_656
O14 Er1 O12 Er3 -136.51(16) . 2_656
O4 Er1 O12 Er3 -176.2(2) . 2_656
N6 Er1 O12 Er3 90.05(19) . 2_656
N2 Er1 O12 Er3 -90.25(18) . 2_656
Er2 Er1 O12 Er3 90.65(4) . 2_656
Er2 Er1 O12 Er3 -89.35(4) 2_656 2_656
Er3 Er1 O12 Er3 180.0 . 2_656
O13 Er1 O12 Er3 -42.48(15) . .
O15 Er1 O12 Er3 138.26(16) 2_656 .
O8 Er1 O12 Er3 -137.25(16) 2_656 .
O5 Er1 O12 Er3 -178.4(2) . .
O14 Er1 O12 Er3 43.49(16) . .
O4 Er1 O12 Er3 3.8(2) . .
N6 Er1 O12 Er3 -89.95(19) . .
N2 Er1 O12 Er3 89.75(18) . .
Er2 Er1 O12 Er3 -89.35(4) . .
Er2 Er1 O12 Er3 90.65(4) 2_656 .
O13 Er3 O12 Er2 -45.26(16) . .
O15 Er3 O12 Er2 46.21(17) . .
O8 Er3 O12 Er2 135.39(15) . .
O14 Er3 O12 Er2 -135.69(16) . .
O11 Er3 O12 Er2 7.8(2) . .
O10 Er3 O12 Er2 -98.4(3) . .
O9 Er3 O12 Er2 130.6(3) . .
Er1 Er3 O12 Er2 -89.73(3) . .
Er2 Er3 O12 Er2 180.0 2_656 .
Er1 Er3 O12 Er2 90.27(3) 2_656 .
O13 Er3 O12 Er2 134.74(16) . 2_656
O15 Er3 O12 Er2 -133.79(17) . 2_656
O8 Er3 O12 Er2 -44.60(15) . 2_656
O14 Er3 O12 Er2 44.31(16) . 2_656
O11 Er3 O12 Er2 -172.2(2) . 2_656
O10 Er3 O12 Er2 81.6(3) . 2_656
O9 Er3 O12 Er2 -49.4(3) . 2_656
Er2 Er3 O12 Er2 180.0 . 2_656
Er1 Er3 O12 Er2 90.27(3) . 2_656
Er1 Er3 O12 Er2 -89.73(3) 2_656 2_656
O13 Er3 O12 Er1 -135.53(16) . 2_656
O15 Er3 O12 Er1 -44.06(17) . 2_656
O8 Er3 O12 Er1 45.12(15) . 2_656
O14 Er3 O12 Er1 134.04(16) . 2_656
O11 Er3 O12 Er1 -82.5(2) . 2_656
O10 Er3 O12 Er1 171.3(3) . 2_656
O9 Er3 O12 Er1 40.3(3) . 2_656
Er2 Er3 O12 Er1 -90.27(3) . 2_656
Er1 Er3 O12 Er1 180.0 . 2_656
Er2 Er3 O12 Er1 89.73(3) 2_656 2_656
O13 Er3 O12 Er1 44.47(16) . .
O15 Er3 O12 Er1 135.94(17) . .
O8 Er3 O12 Er1 -134.88(15) . .
O14 Er3 O12 Er1 -45.96(16) . .
O11 Er3 O12 Er1 97.5(2) . .
O10 Er3 O12 Er1 -8.7(3) . .
O9 Er3 O12 Er1 -139.7(3) . .
Er2 Er3 O12 Er1 89.73(3) . .
Er2 Er3 O12 Er1 -90.27(3) 2_656 .
Er1 Er3 O12 Er1 180.0 2_656 .
O13 Er3 O12 Er3 -162(8) . 2_656
O15 Er3 O12 Er3 -70(8) . 2_656
O8 Er3 O12 Er3 19(8) . 2_656
O14 Er3 O12 Er3 108(8) . 2_656
O11 Er3 O12 Er3 -109(8) . 2_656
O10 Er3 O12 Er3 145(8) . 2_656
O9 Er3 O12 Er3 14(8) . 2_656
Er2 Er3 O12 Er3 -116(8) . 2_656
Er1 Er3 O12 Er3 154(8) . 2_656
Er2 Er3 O12 Er3 64(8) 2_656 2_656
Er1 Er3 O12 Er3 -26(8) 2_656 2_656
O15 Er3 O13 Er1 -114.2(2) . .
O8 Er3 O13 Er1 -47.4(3) . .
O14 Er3 O13 Er1 18.4(2) . .
O11 Er3 O13 Er1 168.7(3) . .
O10 Er3 O13 Er1 97.0(3) . .
O9 Er3 O13 Er1 138.8(5) . .
O12 Er3 O13 Er1 -48.18(14) . .
Er2 Er3 O13 Er1 -96.5(3) . .
Er2 Er3 O13 Er1 -19.10(19) 2_656 .
Er1 Er3 O13 Er1 -77.00(18) 2_656 .
O15 Er3 O13 Er2 -17.6(2) . .
O8 Er3 O13 Er2 49.1(3) . .
O14 Er3 O13 Er2 114.9(2) . .
O11 Er3 O13 Er2 -94.8(2) . .
O10 Er3 O13 Er2 -166.5(3) . .
O9 Er3 O13 Er2 -124.7(6) . .
O12 Er3 O13 Er2 48.33(14) . .
Er1 Er3 O13 Er2 96.5(3) . .
Er2 Er3 O13 Er2 77.42(18) 2_656 .
Er1 Er3 O13 Er2 19.51(19) 2_656 .
O15 Er1 O13 Er3 52.0(3) 2_656 .
O8 Er1 O13 Er3 116.6(2) 2_656 .
O5 Er1 O13 Er3 -173.8(3) . .
O14 Er1 O13 Er3 -17.9(2) . .
O4 Er1 O13 Er3 -98.2(2) . .
O12 Er1 O13 Er3 51.12(15) . .
N6 Er1 O13 Er3 -176.6(3) . .
N2 Er1 O13 Er3 -43.6(4) . .
Er2 Er1 O13 Er3 100.5(3) . .
Er2 Er1 O13 Er3 19.9(2) 2_656 .
O15 Er1 O13 Er2 -48.5(3) 2_656 .
O8 Er1 O13 Er2 16.1(2) 2_656 .
O5 Er1 O13 Er2 85.7(4) . .
O14 Er1 O13 Er2 -118.5(2) . .
O4 Er1 O13 Er2 161.2(2) . .
O12 Er1 O13 Er2 -49.42(13) . .
N6 Er1 O13 Er2 82.9(2) . .
N2 Er1 O13 Er2 -144.2(3) . .
Er2 Er1 O13 Er2 -80.68(16) 2_656 .
Er3 Er1 O13 Er2 -100.5(3) . .
O8 Er2 O13 Er3 -117.5(2) 2_656 .
O14 Er2 O13 Er3 -52.6(3) 2_656 .
O15 Er2 O13 Er3 17.1(2) . .
O6 Er2 O13 Er3 173.4(3) . .
O7 Er2 O13 Er3 101.2(2) . .
O12 Er2 O13 Er3 -51.61(15) . .
N1 Er2 O13 Er3 48.4(4) 2_656 .
N5 Er2 O13 Er3 177.2(3) . .
Er1 Er2 O13 Er3 -101.3(3) . .
Er1 Er2 O13 Er3 -20.31(19) 2_656 .
O8 Er2 O13 Er1 -16.2(2) 2_656 .
O14 Er2 O13 Er1 48.7(3) 2_656 .
O15 Er2 O13 Er1 118.4(2) . .
O6 Er2 O13 Er1 -85.3(4) . .
O7 Er2 O13 Er1 -157.5(2) . .
O12 Er2 O13 Er1 49.72(13) . .
N1 Er2 O13 Er1 149.7(3) 2_656 .
N5 Er2 O13 Er1 -81.5(2) . .
Er1 Er2 O13 Er1 81.02(16) 2_656 .
Er3 Er2 O13 Er1 101.3(3) . .
O13 Er3 O14 Er2 -112.4(2) . 2_656
O15 Er3 O14 Er2 -44.4(3) . 2_656
O8 Er3 O14 Er2 19.9(2) . 2_656
O11 Er3 O14 Er2 -173.9(3) . 2_656
O10 Er3 O14 Er2 159.6(3) . 2_656
O9 Er3 O14 Er2 88.6(3) . 2_656
O12 Er3 O14 Er2 -46.60(14) . 2_656
Er2 Er3 O14 Er2 -75.61(18) . 2_656
Er1 Er3 O14 Er2 -94.6(3) . 2_656
Er1 Er3 O14 Er2 -16.95(19) 2_656 2_656
O13 Er3 O14 Er1 -17.8(2) . .
O15 Er3 O14 Er1 50.2(3) . .
O8 Er3 O14 Er1 114.5(2) . .
O11 Er3 O14 Er1 -79.4(4) . .
O10 Er3 O14 Er1 -105.9(3) . .
O9 Er3 O14 Er1 -176.8(2) . .
O12 Er3 O14 Er1 47.98(14) . .
Er2 Er3 O14 Er1 18.97(19) . .
Er2 Er3 O14 Er1 94.6(3) 2_656 .
Er1 Er3 O14 Er1 77.63(18) 2_656 .
O13 Er1 O14 Er3 17.6(2) . .
O15 Er1 O14 Er3 -117.0(2) 2_656 .
O8 Er1 O14 Er3 -52.0(3) 2_656 .
O5 Er1 O14 Er3 172.8(3) . .
O4 Er1 O14 Er3 101.8(3) . .
O12 Er1 O14 Er3 -51.16(14) . .
N6 Er1 O14 Er3 47.2(4) . .
N2 Er1 O14 Er3 177.9(3) . .
Er2 Er1 O14 Er3 -19.6(2) . .
Er2 Er1 O14 Er3 -100.1(2) 2_656 .
O13 Er1 O14 Er2 117.6(2) . 2_656
O15 Er1 O14 Er2 -16.90(19) 2_656 2_656
O8 Er1 O14 Er2 48.0(3) 2_656 2_656
O5 Er1 O14 Er2 -87.1(4) . 2_656
O4 Er1 O14 Er2 -158.1(2) . 2_656
O12 Er1 O14 Er2 48.89(11) . 2_656
N6 Er1 O14 Er2 147.2(2) . 2_656
N2 Er1 O14 Er2 -82.1(2) . 2_656
Er2 Er1 O14 Er2 80.50(15) . 2_656
Er3 Er1 O14 Er2 100.1(2) . 2_656
O13 Er3 O15 Er1 112.5(2) . 2_656
O8 Er3 O15 Er1 -19.4(2) . 2_656
O14 Er3 O15 Er1 44.9(3) . 2_656
O11 Er3 O15 Er1 -161.5(3) . 2_656
O10 Er3 O15 Er1 179.6(3) . 2_656
O9 Er3 O15 Er1 -90.2(3) . 2_656
O12 Er3 O15 Er1 47.05(14) . 2_656
Er2 Er3 O15 Er1 95.2(3) . 2_656
Er1 Er3 O15 Er1 75.93(18) . 2_656
Er2 Er3 O15 Er1 17.44(18) 2_656 2_656
O13 Er3 O15 Er2 17.3(2) . .
O8 Er3 O15 Er2 -114.6(2) . .
O14 Er3 O15 Er2 -50.3(3) . .
O11 Er3 O15 Er2 103.3(3) . .
O10 Er3 O15 Er2 84.4(4) . .
O9 Er3 O15 Er2 174.6(2) . .
O12 Er3 O15 Er2 -48.14(14) . .
Er1 Er3 O15 Er2 -19.3(2) . .
Er2 Er3 O15 Er2 -77.75(19) 2_656 .
Er1 Er3 O15 Er2 -95.2(3) 2_656 .
O13 Er2 O15 Er3 -17.0(2) . .
O8 Er2 O15 Er3 52.8(4) 2_656 .
O14 Er2 O15 Er3 118.1(2) 2_656 .
O6 Er2 O15 Er3 -175.3(3) . .
O7 Er2 O15 Er3 -96.7(3) . .
O12 Er2 O15 Er3 51.71(15) . .
N1 Er2 O15 Er3 -173.6(3) 2_656 .
N5 Er2 O15 Er3 -45.4(4) . .
Er1 Er2 O15 Er3 19.9(2) . .
Er1 Er2 O15 Er3 101.2(2) 2_656 .
O13 Er2 O15 Er1 -118.2(2) . 2_656
O8 Er2 O15 Er1 -48.4(3) 2_656 2_656
O14 Er2 O15 Er1 16.95(19) 2_656 2_656
O6 Er2 O15 Er1 83.5(3) . 2_656
O7 Er2 O15 Er1 162.2(2) . 2_656
O12 Er2 O15 Er1 -49.45(12) . 2_656
N1 Er2 O15 Er1 85.2(3) 2_656 2_656
N5 Er2 O15 Er1 -146.5(3) . 2_656
Er1 Er2 O15 Er1 -81.22(16) . 2_656
Er3 Er2 O15 Er1 -101.2(2) . 2_656
