#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:34:49 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179452 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/49/4334901.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_4334901
loop_
_publ_author_name
'Brian F. Moore'
'Thomas J. Emge'
'John G. Brennan'
_publ_contact_author_address
; 
 Department of Chemistry 
 Rutgers, The State University of New Jersey
 610 Taylor Road
 Piscataway, New Jersey  08854-8087  U.S.A. 
;
_publ_contact_author_email       bren@rci.rutgers.edu
_publ_contact_author_name        'John G. Brennan'
_publ_section_title
;
 Lanthanide Clusters with Azide Capping Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6021
_journal_page_last               6027
_journal_paper_doi               10.1021/ic400359x
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety
'Er6 O2 2.65(Se2) 8.69(N3) 10(N C5 H5), 3(N C5 H5)'
_chemical_formula_sum            'C65 H65 Er6 N39.06 O2 Se5.32'
_chemical_formula_weight         2848.38
_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                113.675(1)
_cell_angle_beta                 93.405(1)
_cell_angle_gamma                115.494(1)
_cell_formula_units_Z            1
_cell_length_a                   13.2354(8)
_cell_length_b                   13.5062(8)
_cell_length_c                   15.3672(9)
_cell_measurement_reflns_used    8794
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.52
_cell_measurement_theta_min      2.63
_cell_volume                     2179.4(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0216
_diffrn_reflns_av_sigmaI/netI    0.0339
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            26008
_diffrn_reflns_theta_full        30.54
_diffrn_reflns_theta_max         30.54
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    7.993
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.511
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SAINT (SADABS)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.170
_exptl_crystal_description       lathe
_exptl_crystal_F_000             1333
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.862
_refine_diff_density_min         -2.021
_refine_diff_density_rms         0.157
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     602
_refine_ls_number_reflns         13127
_refine_ls_number_restraints     1004
_refine_ls_restrained_S_all      0.995
_refine_ls_R_factor_all          0.0323
_refine_ls_R_factor_gt           0.0270
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0280P)²+3.8000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0603
_refine_ls_wR_factor_ref         0.0623
_reflns_number_gt                11722
_reflns_number_total             13127
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic400359x_si_001_1.cif
_cod_data_source_block           bm121
_cod_database_code               4334901
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Er1 Er 0.503654(12) -0.248823(12) 0.342248(10) 0.01153(3) Uani 1 1 d U . .
Er2 Er 0.631327(12) 0.049467(13) 0.337242(10) 0.01235(3) Uani 1 1 d U . .
Er3 Er 0.632999(11) 0.049432(12) 0.577543(10) 0.01030(3) Uani 1 1 d U . .
O1 O 0.53470(18) -0.0517(2) 0.41675(16) 0.0112(4) Uani 1 1 d U . .
Se1 Se 0.51323(3) -0.19904(3) 0.17347(2) 0.01807(7) Uani 1 1 d U A .
Se2 Se 0.69509(3) -0.14545(3) 0.26582(3) 0.01846(7) Uani 1 1 d U A .
N7 N 0.7645(3) 0.1326(3) 0.4951(2) 0.0291(7) Uani 1 1 d U A .
N8 N 0.8632(3) 0.2192(3) 0.5328(2) 0.0298(7) Uani 1 1 d U . .
N9 N 0.9568(3) 0.2997(4) 0.5675(3) 0.0416(10) Uani 1 1 d U A .
N4 N 0.6319(3) -0.1416(3) 0.5072(2) 0.0271(7) Uani 0.9677(19) 1 d PU A 1
N5 N 0.6530(4) -0.1845(4) 0.5573(3) 0.0306(9) Uani 0.9677(19) 1 d PU A 1
N6 N 0.6751(4) -0.2258(4) 0.6027(3) 0.0437(10) Uani 0.9677(19) 1 d PU A 1
N10 N 0.6496(4) 0.2527(4) 0.4293(3) 0.0206(9) Uani 0.671(2) 1 d PU A 1
N11 N 0.6351(5) 0.3068(6) 0.5047(4) 0.0142(10) Uani 0.671(2) 1 d PU A 1
N12 N 0.6212(4) 0.3630(4) 0.5791(3) 0.0170(8) Uani 0.671(2) 1 d PU . 1
N13 N 0.6837(3) 0.2588(4) 0.6901(3) 0.0168(8) Uani 0.726(2) 1 d PU . 1
N14 N 0.7776(5) 0.3499(5) 0.7179(4) 0.0191(9) Uani 0.726(2) 1 d PU . 1
N15 N 0.8672(4) 0.4357(5) 0.7441(4) 0.0390(12) Uani 0.726(2) 1 d PU . 1
N16 N 0.5680(3) -0.0145(3) 0.6966(2) 0.0200(6) Uani 0.9777(15) 1 d PU . 1
N17 N 0.6248(3) -0.0132(3) 0.7616(2) 0.0226(6) Uani 0.9777(15) 1 d PU . 1
N18 N 0.6798(3) -0.0115(4) 0.8231(3) 0.0395(10) Uani 0.9777(15) 1 d PU . 1
Se3A Se 0.26434(13) -0.31893(13) 0.32512(13) 0.0141(4) Uani 0.274(2) 1 d PU . 2
Se4A Se 0.3658(2) -0.2713(2) 0.48302(14) 0.0139(4) Uani 0.274(2) 1 d PU . 2
Se3B Se 0.5626(15) -0.0924(17) 0.6839(12) 0.023(3) Uani 0.0225(13) 1 d PU . 3
Se4B Se 0.415(3) -0.239(3) 0.5258(19) 0.014(3) Uani 0.0225(13) 1 d PU . 3
Se3C Se 0.6183(14) -0.1895(14) 0.5289(12) 0.023(2) Uani 0.0321(17) 1 d PU A 4
Se4C Se 0.418(3) -0.244(2) 0.5063(16) 0.017(2) Uani 0.0321(17) 1 d PU . 4
N19 N 0.5942(3) -0.3764(3) 0.3593(2) 0.0207(6) Uani 1 1 d U A .
C1 C 0.5313(4) -0.4795(4) 0.3685(3) 0.0289(8) Uani 1 1 d U . .
H1 H 0.4509 -0.5133 0.3551 0.035 Uiso 1 1 calc R A .
C2 C 0.5815(4) -0.5371(4) 0.3971(4) 0.0394(10) Uani 1 1 d U A .
H2 H 0.5355 -0.6075 0.4034 0.047 Uiso 1 1 calc R . .
C3 C 0.7006(5) -0.4884(4) 0.4160(4) 0.0417(10) Uani 1 1 d U . .
H3 H 0.7365 -0.5249 0.4357 0.050 Uiso 1 1 calc R A .
C4 C 0.7645(4) -0.3857(5) 0.4052(4) 0.0380(10) Uani 1 1 d U A .
H4 H 0.8448 -0.3521 0.4160 0.046 Uiso 1 1 calc R . .
C5 C 0.7089(4) -0.3320(4) 0.3780(3) 0.0274(8) Uani 1 1 d U . .
H5 H 0.7541 -0.2609 0.3725 0.033 Uiso 1 1 calc R A .
N20 N 0.4014(3) -0.4692(3) 0.1951(2) 0.0207(6) Uani 1 1 d U A .
C6 C 0.2962(4) -0.5631(4) 0.1781(3) 0.0338(9) Uani 1 1 d U . .
H6 H 0.2517 -0.5473 0.2208 0.041 Uiso 1 1 calc R A .
C7 C 0.2495(4) -0.6831(4) 0.1002(4) 0.0439(11) Uani 1 1 d U A .
H7 H 0.1755 -0.7453 0.0910 0.053 Uiso 1 1 calc R . .
C8 C 0.3146(5) -0.7082(4) 0.0371(3) 0.0413(10) Uani 1 1 d U . .
H8 H 0.2855 -0.7875 -0.0158 0.050 Uiso 1 1 calc R A .
C9 C 0.4246(4) -0.6128(4) 0.0539(3) 0.0336(9) Uani 1 1 d U A .
H9 H 0.4712 -0.6270 0.0130 0.040 Uiso 1 1 calc R . .
C10 C 0.4638(4) -0.4956(4) 0.1331(3) 0.0262(8) Uani 1 1 d U . .
H10 H 0.5375 -0.4319 0.1436 0.031 Uiso 1 1 calc R A .
N21 N 0.6192(3) 0.1083(3) 0.2031(3) 0.0262(7) Uani 1 1 d U A .
C11 C 0.5833(4) 0.1878(4) 0.2055(4) 0.0388(10) Uani 1 1 d U . .
H11 H 0.5577 0.2218 0.2589 0.047 Uiso 1 1 calc R A .
C12 C 0.5830(5) 0.2215(5) 0.1305(5) 0.0566(14) Uani 1 1 d U A .
H12 H 0.5562 0.2759 0.1336 0.068 Uiso 1 1 calc R . .
C13 C 0.6225(5) 0.1737(6) 0.0527(4) 0.0611(15) Uani 1 1 d U . .
H13 H 0.6238 0.1957 0.0024 0.073 Uiso 1 1 calc R A .
C14 C 0.6603(5) 0.0930(5) 0.0498(4) 0.0536(13) Uani 1 1 d U A .
H14 H 0.6879 0.0595 -0.0023 0.064 Uiso 1 1 calc R . .
C15 C 0.6568(4) 0.0621(4) 0.1260(3) 0.0358(9) Uani 1 1 d U . .
H15 H 0.6818 0.0065 0.1232 0.043 Uiso 1 1 calc R A .
N22 N 0.8403(3) 0.1902(3) 0.3348(2) 0.0224(6) Uani 1 1 d U A .
C16 C 0.9254(4) 0.1611(4) 0.3308(3) 0.0342(9) Uani 1 1 d U . .
H16 H 0.9064 0.0813 0.3196 0.041 Uiso 1 1 calc R A .
C17 C 1.0399(4) 0.2426(5) 0.3425(4) 0.0418(11) Uani 1 1 d U A .
H17 H 1.0964 0.2191 0.3415 0.050 Uiso 1 1 calc R . .
C18 C 1.0684(4) 0.3600(4) 0.3557(3) 0.0397(10) Uani 1 1 d U . .
H18 H 1.1439 0.4158 0.3611 0.048 Uiso 1 1 calc R A .
C19 C 0.9830(4) 0.3923(4) 0.3606(4) 0.0421(11) Uani 1 1 d U A .
H19 H 0.9999 0.4713 0.3713 0.050 Uiso 1 1 calc R . .
C20 C 0.8716(4) 0.3055(4) 0.3496(4) 0.0363(9) Uani 1 1 d U . .
H20 H 0.8145 0.3284 0.3526 0.044 Uiso 1 1 calc R A .
N23 N 0.8262(3) 0.1129(3) 0.6808(2) 0.0211(6) Uani 1 1 d U A .
C21 C 0.8656(3) 0.1885(3) 0.7784(3) 0.0246(7) Uani 1 1 d U . .
H21 H 0.8198 0.2194 0.8097 0.029 Uiso 1 1 calc R A .
C22 C 0.9724(4) 0.2231(4) 0.8352(3) 0.0358(9) Uani 1 1 d U A .
H22 H 0.9965 0.2749 0.9033 0.043 Uiso 1 1 calc R . .
C23 C 1.0407(4) 0.1801(5) 0.7901(4) 0.0392(10) Uani 1 1 d U . .
H23 H 1.1125 0.2024 0.8269 0.047 Uiso 1 1 calc R A .
C24 C 1.0029(4) 0.1031(5) 0.6894(4) 0.0396(10) Uani 1 1 d U A .
H24 H 1.0487 0.0731 0.6571 0.048 Uiso 1 1 calc R . .
C25 C 0.8951(4) 0.0713(4) 0.6373(3) 0.0301(8) Uani 1 1 d U . .
H25 H 0.8693 0.0189 0.5693 0.036 Uiso 1 1 calc R A .
N24 N 0.7402(5) -0.5178(5) 0.0413(4) 0.0658(13) Uani 1 1 d U . .
C26 C 0.7794(5) -0.4865(5) 0.1391(4) 0.0497(12) Uani 1 1 d U . .
H26 H 0.7505 -0.4470 0.1869 0.060 Uiso 1 1 calc R . .
C27 C 0.8603(5) -0.5139(5) 0.1648(4) 0.0507(12) Uani 1 1 d U . .
H27 H 0.8899 -0.4907 0.2306 0.061 Uiso 1 1 calc R . .
C28 C 0.8975(6) -0.5773(7) 0.0907(5) 0.0702(17) Uani 1 1 d U . .
H28 H 0.9542 -0.5944 0.1085 0.084 Uiso 1 1 calc R . .
C29 C 0.8568(5) -0.6145(6) -0.0034(4) 0.0616(15) Uani 1 1 d U . .
H29 H 0.8790 -0.6623 -0.0521 0.074 Uiso 1 1 calc R . .
C30 C 0.7844(6) -0.5817(6) -0.0256(5) 0.0633(15) Uani 1 1 d U . .
H30 H 0.7599 -0.6026 -0.0916 0.076 Uiso 1 1 calc R . .
N25 N -0.0632(5) 0.0398(5) 0.0555(5) 0.0610(13) Uani 0.50 1 d PU . .
C31 C 0.0103(6) 0.0152(6) 0.0930(4) 0.0584(13) Uani 1 1 d U . .
H31 H 0.0188 0.0256 0.1572 0.070 Uiso 1 1 d . . .
C32 C 0.0730(5) -0.0245(6) 0.0382(5) 0.0613(15) Uani 1 1 d U . .
H32 H 0.1242 -0.0420 0.0651 0.074 Uiso 1 1 d . . .
C33 C -0.0632(5) 0.0398(5) 0.0555(5) 0.0610(13) Uani 0.50 1 d PU . .
H33 H -0.1075 0.0672 0.0928 0.073 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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 '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'
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
O1 Er1 N4 71.87(9) . .
O1 Er1 N13 72.12(11) . 2_656
N4 Er1 N13 122.65(13) . 2_656
O1 Er1 N12 108.05(11) . 2_656
N4 Er1 N12 78.63(14) . 2_656
N13 Er1 N12 72.07(14) 2_656 2_656
O1 Er1 N20 150.72(9) . .
N4 Er1 N20 137.27(10) . .
N13 Er1 N20 85.07(11) 2_656 .
N12 Er1 N20 80.96(12) 2_656 .
O1 Er1 N19 139.90(9) . .
N4 Er1 N19 70.07(10) . .
N13 Er1 N19 141.62(12) 2_656 .
N12 Er1 N19 76.31(12) 2_656 .
N20 Er1 N19 68.80(10) . .
O1 Er1 Se3C 85.0(3) . .
N4 Er1 Se3C 15.7(3) . .
N13 Er1 Se3C 121.8(3) 2_656 .
N12 Er1 Se3C 65.5(3) 2_656 .
N20 Er1 Se3C 123.3(3) . .
N19 Er1 Se3C 60.0(3) . .
O1 Er1 Se4C 79.5(5) . .
N4 Er1 Se4C 58.0(6) . .
N13 Er1 Se4C 72.6(7) 2_656 .
N12 Er1 Se4C 30.7(5) 2_656 .
N20 Er1 Se4C 111.5(5) . .
N19 Er1 Se4C 90.8(6) . .
Se3C Er1 Se4C 50.5(7) . .
O1 Er1 Se3A 84.56(6) . .
N4 Er1 Se3A 117.05(10) . .
N13 Er1 Se3A 18.34(10) 2_656 .
N12 Er1 Se3A 54.40(10) 2_656 .
N20 Er1 Se3A 78.39(7) . .
N19 Er1 Se3A 124.21(7) . .
Se3C Er1 Se3A 111.2(3) . .
Se4C Er1 Se3A 60.7(7) . .
O1 Er1 Se2 83.57(5) . .
N4 Er1 Se2 92.09(10) . .
N13 Er1 Se2 125.94(10) 2_656 .
N12 Er1 Se2 161.60(10) 2_656 .
N20 Er1 Se2 95.87(7) . .
N19 Er1 Se2 85.62(7) . .
Se3C Er1 Se2 102.5(3) . .
Se4C Er1 Se2 149.0(6) . .
Se3A Er1 Se2 142.98(3) . .
O1 Er1 Se1 80.20(5) . .
N4 Er1 Se1 133.81(10) . .
N13 Er1 Se1 80.11(10) 2_656 .
N12 Er1 Se1 146.26(10) 2_656 .
N20 Er1 Se1 77.94(7) . .
N19 Er1 Se1 118.86(7) . .
Se3C Er1 Se1 148.1(3) . .
Se4C Er1 Se1 149.9(6) . .
Se3A Er1 Se1 95.43(3) . .
Se2 Er1 Se1 47.987(10) . .
O1 Er1 Se4A 81.66(7) . .
N4 Er1 Se4A 70.10(11) . .
N13 Er1 Se4A 61.73(11) 2_656 .
N12 Er1 Se4A 26.39(10) 2_656 .
N20 Er1 Se4A 103.81(8) . .
N19 Er1 Se4A 96.81(8) . .
Se3C Er1 Se4A 62.4(3) . .
Se4C Er1 Se4A 12.1(6) . .
Se3A Er1 Se4A 48.80(6) . .
Se2 Er1 Se4A 159.70(5) . .
Se1 Er1 Se4A 141.22(4) . .
O1 Er1 Se4B 78.8(6) . .
N4 Er1 Se4B 56.7(6) . .
N13 Er1 Se4B 73.6(7) 2_656 .
N12 Er1 Se4B 31.8(6) 2_656 .
N20 Er1 Se4B 112.6(6) . .
N19 Er1 Se4B 90.6(7) . .
Se3C Er1 Se4B 49.4(7) . .
Se4C Er1 Se4B 1.3(11) . .
Se3A Er1 Se4B 61.9(7) . .
Se2 Er1 Se4B 147.7(6) . .
Se1 Er1 Se4B 150.3(7) . .
Se4A Er1 Se4B 13.4(6) . .
O1 Er2 N7 72.08(9) . .
O1 Er2 N10 102.35(12) . .
N7 Er2 N10 77.73(14) . .
O1 Er2 N16 72.30(9) . 2_656
N7 Er2 N16 128.30(11) . 2_656
N10 Er2 N16 74.72(14) . 2_656
O1 Er2 N21 147.19(9) . .
N7 Er2 N21 138.17(11) . .
N10 Er2 N21 78.64(13) . .
N16 Er2 N21 76.52(10) 2_656 .
O1 Er2 N22 142.95(9) . .
N7 Er2 N22 72.40(10) . .
N10 Er2 N22 79.99(13) . .
N16 Er2 N22 141.13(10) 2_656 .
N21 Er2 N22 69.84(10) . .
O1 Er2 Se1 81.69(6) . .
N7 Er2 Se1 129.57(9) . .
N10 Er2 Se1 151.26(11) . .
N16 Er2 Se1 79.65(8) 2_656 .
N21 Er2 Se1 82.96(8) . .
N22 Er2 Se1 114.00(7) . .
O1 Er2 Se3B 84.7(3) . 2_656
N7 Er2 Se3B 123.6(3) . 2_656
N10 Er2 Se3B 57.8(4) . 2_656
N16 Er2 Se3B 18.4(3) 2_656 2_656
N21 Er2 Se3B 67.9(3) . 2_656
N22 Er2 Se3B 124.5(3) . 2_656
Se1 Er2 Se3B 94.8(4) . 2_656
O1 Er2 Se4B 81.1(5) . 2_656
N7 Er2 Se4B 76.2(7) . 2_656
N10 Er2 Se4B 22.0(6) . 2_656
N16 Er2 Se4B 62.3(7) 2_656 2_656
N21 Er2 Se4B 93.4(6) . 2_656
N22 Er2 Se4B 100.3(6) . 2_656
Se1 Er2 Se4B 141.4(7) . 2_656
Se3B Er2 Se4B 49.3(8) 2_656 2_656
O1 Er2 Se2 83.25(5) . .
N7 Er2 Se2 85.85(10) . .
N10 Er2 Se2 159.86(11) . .
N16 Er2 Se2 125.18(8) 2_656 .
N21 Er2 Se2 107.21(8) . .
N22 Er2 Se2 84.02(7) . .
Se1 Er2 Se2 48.150(11) . .
Se3B Er2 Se2 142.3(4) 2_656 .
Se4B Er2 Se2 159.1(6) 2_656 .
O1 Er2 Se4C 77.6(4) . 2_656
N7 Er2 Se4C 73.4(6) . 2_656
N10 Er2 Se4C 25.0(4) . 2_656
N16 Er2 Se4C 63.3(6) 2_656 2_656
N21 Er2 Se4C 97.4(5) . 2_656
N22 Er2 Se4C 101.9(5) . 2_656
Se1 Er2 Se4C 141.5(5) . 2_656
Se3B Er2 Se4C 51.4(7) 2_656 2_656
Se4B Er2 Se4C 4.0(9) 2_656 2_656
Se2 Er2 Se4C 155.2(5) . 2_656
O1 Er2 Se4A 80.53(7) . 2_656
N7 Er2 Se4A 63.55(10) . 2_656
N10 Er2 Se4A 23.04(11) . 2_656
N16 Er2 Se4A 74.64(9) 2_656 2_656
N21 Er2 Se4A 100.97(9) . 2_656
N22 Er2 Se4A 92.93(8) . 2_656
Se1 Er2 Se4A 152.17(4) . 2_656
Se3B Er2 Se4A 62.4(4) 2_656 2_656
Se4B Er2 Se4A 13.0(7) 2_656 2_656
Se2 Er2 Se4A 148.52(4) . 2_656
Se4C Er2 Se4A 11.4(6) 2_656 2_656
O1 Er3 O1 77.35(8) 2_656 .
O1 Er3 N4 120.08(11) 2_656 .
O1 Er3 N4 73.27(10) . .
O1 Er3 N7 125.61(10) 2_656 .
O1 Er3 N7 72.95(9) . .
N4 Er3 N7 93.37(14) . .
O1 Er3 N16 73.82(9) 2_656 .
O1 Er3 N16 124.84(10) . .
N4 Er3 N16 82.11(12) . .
N7 Er3 N16 158.47(11) . .
O1 Er3 N13 73.24(11) 2_656 .
O1 Er3 N13 124.46(11) . .
N4 Er3 N13 161.39(12) . .
N7 Er3 N13 87.57(14) . .
N16 Er3 N13 90.22(13) . .
O1 Er3 N23 144.36(9) 2_656 .
O1 Er3 N23 138.28(9) . .
N4 Er3 N23 79.69(11) . .
N7 Er3 N23 77.65(11) . .
N16 Er3 N23 80.83(10) . .
N13 Er3 N23 82.37(12) . .
O1 Er3 Se3B 84.7(3) 2_656 .
O1 Er3 Se3B 116.0(4) . .
N4 Er3 Se3B 64.4(4) . .
N7 Er3 Se3B 149.5(4) . .
N16 Er3 Se3B 17.7(4) . .
N13 Er3 Se3B 107.0(4) . .
N23 Er3 Se3B 78.0(3) . .
O1 Er3 Se3A 83.56(6) 2_656 2_656
O1 Er3 Se3A 115.89(6) . 2_656
N4 Er3 Se3A 156.35(10) . 2_656
N7 Er3 Se3A 70.52(10) . 2_656
N16 Er3 Se3A 106.38(9) . 2_656
N13 Er3 Se3A 17.07(10) . 2_656
N23 Er3 Se3A 79.98(8) . 2_656
Se3B Er3 Se3A 122.3(4) . 2_656
O1 Er3 Se3C 115.3(3) 2_656 .
O1 Er3 Se3C 82.2(3) . .
N4 Er3 Se3C 12.5(3) . .
N7 Er3 Se3C 104.6(3) . .
N16 Er3 Se3C 69.6(3) . .
N13 Er3 Se3C 153.2(3) . .
N23 Er3 Se3C 77.3(3) . .
Se3B Er3 Se3C 51.9(5) . .
Se3A Er3 Se3C 157.3(3) 2_656 .
O1 Er3 Se4C 71.7(5) 2_656 .
O1 Er3 Se4C 67.6(4) . .
N4 Er3 Se4C 49.0(5) . .
N7 Er3 Se4C 131.4(3) . .
N16 Er3 Se4C 59.1(3) . .
N13 Er3 Se4C 138.5(4) . .
N23 Er3 Se4C 115.5(5) . .
Se3B Er3 Se4C 48.4(5) . .
Se3A Er3 Se4C 153.9(4) 2_656 .
Se3C Er3 Se4C 43.8(6) . .
Er3 O1 Er2 111.22(9) 2_656 .
Er3 O1 Er3 102.65(8) 2_656 .
Er2 O1 Er3 110.78(9) . .
Er3 O1 Er1 111.40(9) 2_656 .
Er2 O1 Er1 109.33(9) . .
Er3 O1 Er1 111.35(9) . .
Se2 Se1 Er2 66.969(12) . .
Se2 Se1 Er1 65.292(12) . .
Er2 Se1 Er1 78.554(10) . .
Se1 Se2 Er1 66.721(12) . .
Se1 Se2 Er2 64.880(12) . .
Er1 Se2 Er2 78.317(10) . .
N8 N7 Er3 126.9(2) . .
N8 N7 Er2 129.3(2) . .
Er3 N7 Er2 100.84(11) . .
N9 N8 N7 179.0(5) . .
N5 N4 Er3 122.3(3) . .
N5 N4 Er1 129.3(3) . .
Er3 N4 Er1 102.59(12) . .
N6 N5 N4 177.8(5) . .
N11 N10 Er2 136.3(4) . .
N12 N11 N10 178.3(7) . .
N11 N12 Er1 119.0(4) . 2_656
N14 N13 Er3 126.3(3) . .
N14 N13 Er1 125.8(3) . 2_656
Er3 N13 Er1 100.73(14) . 2_656
N15 N14 N13 179.4(6) . .
N17 N16 Er3 127.8(2) . .
N17 N16 Er2 131.7(2) . 2_656
Er3 N16 Er2 99.85(11) . 2_656
N18 N17 N16 179.3(4) . .
Se4A Se3A Er1 67.51(7) . .
Se4A Se3A Er3 81.16(7) . 2_656
Er1 Se3A Er3 80.47(4) . 2_656
Se3A Se4A Er1 63.70(5) . .
Se3A Se4A Er2 114.26(7) . 2_656
Er1 Se4A Er2 125.75(8) . 2_656
Se4B Se3B Er2 65.9(9) . 2_656
Se4B Se3B Er3 79.5(8) . .
Er2 Se3B Er3 79.4(4) 2_656 .
Se3B Se4B Er2 64.7(8) . 2_656
Se3B Se4B Er1 115.0(12) . .
Er2 Se4B Er1 128.0(11) 2_656 .
Se4C Se3C Er1 65.4(6) . .
Se4C Se3C Er3 78.6(7) . .
Er1 Se3C Er3 81.5(4) . .
Se3C Se4C Er1 64.1(6) . .
Se3C Se4C Er2 115.3(10) . 2_656
Er1 Se4C Er2 131.4(8) . 2_656
Se3C Se4C Er3 57.6(6) . .
Er1 Se4C Er3 73.1(5) . .
Er2 Se4C Er3 69.1(5) 2_656 .
C5 N19 C1 116.6(3) . .
C5 N19 Er1 121.2(2) . .
C1 N19 Er1 121.1(3) . .
N19 C1 C2 122.9(4) . .
N19 C1 H1 118.5 . .
C2 C1 H1 118.5 . .
C3 C2 C1 118.9(4) . .
C3 C2 H2 120.6 . .
C1 C2 H2 120.6 . .
C4 C3 C2 118.7(4) . .
C4 C3 H3 120.7 . .
C2 C3 H3 120.7 . .
C3 C4 C5 119.3(4) . .
C3 C4 H4 120.4 . .
C5 C4 H4 120.4 . .
N19 C5 C4 123.7(4) . .
N19 C5 H5 118.2 . .
C4 C5 H5 118.2 . .
C6 N20 C10 116.6(3) . .
C6 N20 Er1 126.9(3) . .
C10 N20 Er1 116.3(2) . .
N20 C6 C7 123.7(4) . .
N20 C6 H6 118.1 . .
C7 C6 H6 118.1 . .
C8 C7 C6 118.8(4) . .
C8 C7 H7 120.6 . .
C6 C7 H7 120.6 . .
C7 C8 C9 118.5(4) . .
C7 C8 H8 120.7 . .
C9 C8 H8 120.7 . .
C8 C9 C10 118.7(4) . .
C8 C9 H9 120.6 . .
C10 C9 H9 120.6 . .
N20 C10 C9 123.6(4) . .
N20 C10 H10 118.2 . .
C9 C10 H10 118.2 . .
C15 N21 C11 117.4(4) . .
C15 N21 Er2 117.8(3) . .
C11 N21 Er2 124.6(3) . .
N21 C11 C12 122.3(5) . .
N21 C11 H11 118.8 . .
C12 C11 H11 118.8 . .
C13 C12 C11 119.2(5) . .
C13 C12 H12 120.4 . .
C11 C12 H12 120.4 . .
C12 C13 C14 119.0(5) . .
C12 C13 H13 120.5 . .
C14 C13 H13 120.5 . .
C13 C14 C15 118.8(5) . .
C13 C14 H14 120.6 . .
C15 C14 H14 120.6 . .
N21 C15 C14 123.2(5) . .
N21 C15 H15 118.4 . .
C14 C15 H15 118.4 . .
C20 N22 C16 115.8(4) . .
C20 N22 Er2 119.5(3) . .
C16 N22 Er2 124.3(3) . .
N22 C16 C17 123.9(4) . .
N22 C16 H16 118.1 . .
C17 C16 H16 118.1 . .
C18 C17 C16 118.6(5) . .
C18 C17 H17 120.7 . .
C16 C17 H17 120.7 . .
C19 C18 C17 118.6(4) . .
C19 C18 H18 120.7 . .
C17 C18 H18 120.7 . .
C18 C19 C20 118.7(4) . .
C18 C19 H19 120.6 . .
C20 C19 H19 120.6 . .
N22 C20 C19 124.4(4) . .
N22 C20 H20 117.8 . .
C19 C20 H20 117.8 . .
C21 N23 C25 117.3(3) . .
C21 N23 Er3 123.0(2) . .
C25 N23 Er3 119.7(3) . .
N23 C21 C22 122.8(4) . .
N23 C21 H21 118.6 . .
C22 C21 H21 118.6 . .
C23 C22 C21 119.1(4) . .
C23 C22 H22 120.4 . .
C21 C22 H22 120.4 . .
C22 C23 C24 119.4(4) . .
C22 C23 H23 120.3 . .
C24 C23 H23 120.3 . .
C23 C24 C25 118.6(4) . .
C23 C24 H24 120.7 . .
C25 C24 H24 120.7 . .
N23 C25 C24 122.8(4) . .
N23 C25 H25 118.6 . .
C24 C25 H25 118.6 . .
C26 N24 C30 116.1(6) . .
C27 C26 N24 119.6(6) . .
C27 C26 H26 120.2 . .
N24 C26 H26 120.2 . .
C26 C27 C28 118.3(6) . .
C26 C27 H27 120.8 . .
C28 C27 H27 120.8 . .
C29 C28 C27 123.3(7) . .
C29 C28 H28 118.3 . .
C27 C28 H28 118.3 . .
C30 C29 C28 117.2(6) . .
C30 C29 H29 121.4 . .
C28 C29 H29 121.4 . .
C29 C30 N24 125.3(6) . .
C29 C30 H30 117.4 . .
N24 C30 H30 117.4 . .
C31 N25 C32 119.0(6) . 2
N25 C31 C32 119.6(6) . .
N25 C31 H31 120.5(7) . .
C32 C31 H31 119.8(7) . .
C31 C32 C33 121.3(5) . 2
C31 C32 N25 121.3(5) . 2
C33 C32 N25 0.0(10) 2 2
C31 C32 H32 119.0(7) . .
C33 C32 H32 119.7(7) 2 .
N25 C32 H32 119.7(7) 2 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Er1 O1 2.263(2) .
Er1 N4 2.414(3) .
Er1 N13 2.434(4) 2_656
Er1 N12 2.472(4) 2_656
Er1 N20 2.563(3) .
Er1 N19 2.564(3) .
Er1 Se3C 2.786(16) .
Er1 Se4C 2.816(17) .
Er1 Se3A 2.8491(15) .
Er1 Se2 2.8937(4) .
Er1 Se1 2.9260(4) .
Er1 Se4A 2.9363(18) .
Er1 Se4B 3.10(2) .
Er2 O1 2.240(2) .
Er2 N7 2.420(3) .
Er2 N10 2.422(4) .
Er2 N16 2.454(3) 2_656
Er2 N21 2.509(3) .
Er2 N22 2.609(3) .
Er2 Se1 2.8767(4) .
Er2 Se3B 2.892(17) 2_656
Er2 Se4B 2.92(3) 2_656
Er2 Se2 2.9239(4) .
Er2 Se4C 3.12(2) 2_656
Er2 Se4A 3.1379(17) 2_656
Er3 O1 2.239(2) 2_656
Er3 O1 2.245(2) .
Er3 N4 2.357(3) .
Er3 N7 2.370(3) .
Er3 N16 2.377(3) .
Er3 N13 2.396(4) .
Er3 N23 2.515(3) .
Er3 Se3B 2.893(15) .
Er3 Se3A 2.9088(13) 2_656
Er3 Se3C 2.918(15) .
Er3 Se4C 3.39(2) .
O1 Er3 2.239(2) 2_656
Se1 Se2 2.3667(5) .
N7 N8 1.209(4) .
N8 N9 1.139(4) .
N4 N5 1.215(5) .
N5 N6 1.146(6) .
N10 N11 1.175(7) .
N11 N12 1.168(7) .
N12 Er1 2.472(4) 2_656
N13 N14 1.199(7) .
N13 Er1 2.434(4) 2_656
N14 N15 1.139(7) .
N16 N17 1.204(4) .
N16 Er2 2.454(3) 2_656
N17 N18 1.144(4) .
Se3A Se4A 2.391(3) .
Se3A Er3 2.9088(13) 2_656
Se4A Er2 3.1379(17) 2_656
Se3B Se4B 2.43(4) .
Se3B Er2 2.892(17) 2_656
Se4B Er2 2.92(3) 2_656
Se3C Se4C 2.39(4) .
Se4C Er2 3.12(2) 2_656
N19 C5 1.332(5) .
N19 C1 1.351(5) .
C1 C2 1.388(5) .
C1 H1 0.9300 .
C2 C3 1.379(7) .
C2 H2 0.9300 .
C3 C4 1.363(7) .
C3 H3 0.9300 .
C4 C5 1.382(5) .
C4 H4 0.9300 .
C5 H5 0.9300 .
N20 C6 1.336(5) .
N20 C10 1.339(5) .
C6 C7 1.391(6) .
C6 H6 0.9300 .
C7 C8 1.372(7) .
C7 H7 0.9300 .
C8 C9 1.386(7) .
C8 H8 0.9300 .
C9 C10 1.387(5) .
C9 H9 0.9300 .
C10 H10 0.9300 .
N21 C15 1.335(5) .
N21 C11 1.337(5) .
C11 C12 1.400(6) .
C11 H11 0.9300 .
C12 C13 1.366(9) .
C12 H12 0.9300 .
C13 C14 1.368(9) .
C13 H13 0.9300 .
C14 C15 1.390(6) .
C14 H14 0.9300 .
C15 H15 0.9300 .
N22 C20 1.340(5) .
N22 C16 1.342(5) .
C16 C17 1.383(6) .
C16 H16 0.9300 .
C17 C18 1.383(7) .
C17 H17 0.9300 .
C18 C19 1.372(7) .
C18 H18 0.9300 .
C19 C20 1.378(6) .
C19 H19 0.9300 .
C20 H20 0.9300 .
N23 C21 1.335(5) .
N23 C25 1.344(5) .
C21 C22 1.391(5) .
C21 H21 0.9300 .
C22 C23 1.357(7) .
C22 H22 0.9300 .
C23 C24 1.376(7) .
C23 H23 0.9300 .
C24 C25 1.388(6) .
C24 H24 0.9300 .
C25 H25 0.9300 .
N24 C26 1.383(8) .
N24 C30 1.392(8) .
C26 C27 1.360(8) .
C26 H26 0.9300 .
C27 C28 1.386(9) .
C27 H27 0.9300 .
C28 C29 1.313(9) .
C28 H28 0.9300 .
C29 C30 1.296(9) .
C29 H29 0.9300 .
C30 H30 0.9300 .
N25 C31 1.324(8) .
N25 C32 1.360(8) 2
C31 C32 1.336(9) .
C31 H31 0.931(6) .
C32 C33 1.360(8) 2
C32 N25 1.360(8) 2
C32 H32 0.932(6) .
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
N7 Er2 O1 Er3 128.29(14) . 2_656
N10 Er2 O1 Er3 55.72(15) . 2_656
N16 Er2 O1 Er3 -13.60(10) 2_656 2_656
N21 Er2 O1 Er3 -32.4(2) . 2_656
N22 Er2 O1 Er3 145.42(13) . 2_656
Se1 Er2 O1 Er3 -95.33(8) . 2_656
Se3B Er2 O1 Er3 0.4(4) 2_656 2_656
Se4B Er2 O1 Er3 50.0(7) 2_656 2_656
Se2 Er2 O1 Er3 -143.90(9) . 2_656
Se4C Er2 O1 Er3 52.0(6) 2_656 2_656
Se4A Er2 O1 Er3 63.17(9) 2_656 2_656
N7 Er2 O1 Er3 14.81(12) . .
N10 Er2 O1 Er3 -57.76(14) . .
N16 Er2 O1 Er3 -127.09(12) 2_656 .
N21 Er2 O1 Er3 -145.89(16) . .
N22 Er2 O1 Er3 31.93(18) . .
Se1 Er2 O1 Er3 151.18(8) . .
Se3B Er2 O1 Er3 -113.1(4) 2_656 .
Se4B Er2 O1 Er3 -63.5(7) 2_656 .
Se2 Er2 O1 Er3 102.61(8) . .
Se4C Er2 O1 Er3 -61.5(6) 2_656 .
Se4A Er2 O1 Er3 -50.31(8) 2_656 .
N7 Er2 O1 Er1 -108.27(13) . .
N10 Er2 O1 Er1 179.16(13) . .
N16 Er2 O1 Er1 109.83(12) 2_656 .
N21 Er2 O1 Er1 91.03(19) . .
N22 Er2 O1 Er1 -91.14(16) . .
Se1 Er2 O1 Er1 28.11(7) . .
Se3B Er2 O1 Er1 123.8(4) 2_656 .
Se4B Er2 O1 Er1 173.4(7) 2_656 .
Se2 Er2 O1 Er1 -20.46(7) . .
Se4C Er2 O1 Er1 175.4(6) 2_656 .
Se4A Er2 O1 Er1 -173.39(9) 2_656 .
O1 Er3 O1 Er3 0.0 2_656 2_656
N4 Er3 O1 Er3 127.15(13) . 2_656
N7 Er3 O1 Er3 -133.86(13) . 2_656
N16 Er3 O1 Er3 59.72(13) . 2_656
N13 Er3 O1 Er3 -59.18(15) . 2_656
N23 Er3 O1 Er3 178.99(10) . 2_656
Se3B Er3 O1 Er3 77.6(4) . 2_656
Se3A Er3 O1 Er3 -76.31(8) 2_656 2_656
Se3C Er3 O1 Er3 118.2(3) . 2_656
Se4C Er3 O1 Er3 75.2(5) . 2_656
O1 Er3 O1 Er2 118.81(12) 2_656 .
N4 Er3 O1 Er2 -114.04(14) . .
N7 Er3 O1 Er2 -15.05(12) . .
N16 Er3 O1 Er2 178.53(10) . .
N13 Er3 O1 Er2 59.63(16) . .
N23 Er3 O1 Er2 -62.20(16) . .
Se3B Er3 O1 Er2 -163.6(4) . .
Se3A Er3 O1 Er2 42.50(10) 2_656 .
Se3C Er3 O1 Er2 -123.0(3) . .
Se4C Er3 O1 Er2 -166.0(5) . .
O1 Er3 O1 Er1 -119.29(12) 2_656 .
N4 Er3 O1 Er1 7.86(12) . .
N7 Er3 O1 Er1 106.85(13) . .
N16 Er3 O1 Er1 -59.57(14) . .
N13 Er3 O1 Er1 -178.47(12) . .
N23 Er3 O1 Er1 59.70(16) . .
Se3B Er3 O1 Er1 -41.7(4) . .
Se3A Er3 O1 Er1 164.40(6) 2_656 .
Se3C Er3 O1 Er1 -1.1(3) . .
Se4C Er3 O1 Er1 -44.1(5) . .
N4 Er1 O1 Er3 -121.66(14) . 2_656
N13 Er1 O1 Er3 12.93(12) 2_656 2_656
N12 Er1 O1 Er3 -50.62(14) 2_656 2_656
N20 Er1 O1 Er3 53.5(2) . 2_656
N19 Er1 O1 Er3 -140.65(12) . 2_656
Se3C Er1 O1 Er3 -112.8(3) . 2_656
Se4C Er1 O1 Er3 -62.1(7) . 2_656
Se3A Er1 O1 Er3 -0.87(8) . 2_656
Se2 Er1 O1 Er3 144.01(8) . 2_656
Se1 Er1 O1 Er3 95.62(8) . 2_656
Se4A Er1 O1 Er3 -49.96(9) . 2_656
Se4B Er1 O1 Er3 -63.2(7) . 2_656
N4 Er1 O1 Er2 115.01(13) . .
N13 Er1 O1 Er2 -110.40(13) 2_656 .
N12 Er1 O1 Er2 -173.95(12) 2_656 .
N20 Er1 O1 Er2 -69.9(2) . .
N19 Er1 O1 Er2 96.02(14) . .
Se3C Er1 O1 Er2 123.9(3) . .
Se4C Er1 O1 Er2 174.6(7) . .
Se3A Er1 O1 Er2 -124.20(9) . .
Se2 Er1 O1 Er2 20.67(7) . .
Se1 Er1 O1 Er2 -27.72(7) . .
Se4A Er1 O1 Er2 -173.29(9) . .
Se4B Er1 O1 Er2 173.4(7) . .
N4 Er1 O1 Er3 -7.73(12) . .
N13 Er1 O1 Er3 126.86(14) 2_656 .
N12 Er1 O1 Er3 63.31(14) 2_656 .
N20 Er1 O1 Er3 167.39(14) . .
N19 Er1 O1 Er3 -26.72(17) . .
Se3C Er1 O1 Er3 1.2(3) . .
Se4C Er1 O1 Er3 51.9(7) . .
Se3A Er1 O1 Er3 113.07(9) . .
Se2 Er1 O1 Er3 -102.06(8) . .
Se1 Er1 O1 Er3 -150.45(9) . .
Se4A Er1 O1 Er3 63.97(9) . .
Se4B Er1 O1 Er3 50.7(7) . .
O1 Er2 Se1 Se2 -88.37(5) . .
N7 Er2 Se1 Se2 -29.98(10) . .
N10 Er2 Se1 Se2 171.1(2) . .
N16 Er2 Se1 Se2 -161.77(7) 2_656 .
N21 Er2 Se1 Se2 120.72(8) . .
N22 Er2 Se1 Se2 56.51(7) . .
Se3B Er2 Se1 Se2 -172.3(3) 2_656 .
Se4B Er2 Se1 Se2 -152.7(9) 2_656 .
Se4C Er2 Se1 Se2 -146.3(7) 2_656 .
Se4A Er2 Se1 Se2 -139.10(8) 2_656 .
O1 Er2 Se1 Er1 -20.54(5) . .
N7 Er2 Se1 Er1 37.86(10) . .
N10 Er2 Se1 Er1 -121.1(2) . .
N16 Er2 Se1 Er1 -93.94(7) 2_656 .
N21 Er2 Se1 Er1 -171.45(8) . .
N22 Er2 Se1 Er1 124.34(7) . .
Se3B Er2 Se1 Er1 -104.4(3) 2_656 .
Se4B Er2 Se1 Er1 -84.9(9) 2_656 .
Se2 Er2 Se1 Er1 67.831(11) . .
Se4C Er2 Se1 Er1 -78.5(7) 2_656 .
Se4A Er2 Se1 Er1 -71.27(8) 2_656 .
O1 Er1 Se1 Se2 90.15(5) . .
N4 Er1 Se1 Se2 37.25(11) . .
N13 Er1 Se1 Se2 163.52(9) 2_656 .
N12 Er1 Se1 Se2 -161.93(17) 2_656 .
N20 Er1 Se1 Se2 -109.46(7) . .
N19 Er1 Se1 Se2 -52.14(8) . .
Se3C Er1 Se1 Se2 26.6(6) . .
Se4C Er1 Se1 Se2 138.3(11) . .
Se3A Er1 Se1 Se2 173.66(3) . .
Se4A Er1 Se1 Se2 153.42(7) . .
Se4B Er1 Se1 Se2 135.7(12) . .
O1 Er1 Se1 Er2 20.41(5) . .
N4 Er1 Se1 Er2 -32.49(11) . .
N13 Er1 Se1 Er2 93.78(9) 2_656 .
N12 Er1 Se1 Er2 128.32(17) 2_656 .
N20 Er1 Se1 Er2 -179.21(7) . .
N19 Er1 Se1 Er2 -121.88(8) . .
Se3C Er1 Se1 Er2 -43.1(6) . .
Se4C Er1 Se1 Er2 68.6(11) . .
Se3A Er1 Se1 Er2 103.91(3) . .
Se2 Er1 Se1 Er2 -69.743(12) . .
Se4A Er1 Se1 Er2 83.68(7) . .
Se4B Er1 Se1 Er2 66.0(12) . .
Er2 Se1 Se2 Er1 87.607(9) . .
Er1 Se1 Se2 Er2 -87.607(9) . .
O1 Er1 Se2 Se1 -82.59(5) . .
N4 Er1 Se2 Se1 -154.08(8) . .
N13 Er1 Se2 Se1 -20.19(11) 2_656 .
N12 Er1 Se2 Se1 146.9(3) 2_656 .
N20 Er1 Se2 Se1 67.96(7) . .
N19 Er1 Se2 Se1 136.09(7) . .
Se3C Er1 Se2 Se1 -166.0(3) . .
Se4C Er1 Se2 Se1 -139.6(11) . .
Se3A Er1 Se2 Se1 -10.53(5) . .
Se4A Er1 Se2 Se1 -126.10(11) . .
Se4B Er1 Se2 Se1 -139.7(12) . .
O1 Er1 Se2 Er2 -15.11(5) . .
N4 Er1 Se2 Er2 -86.60(8) . .
N13 Er1 Se2 Er2 47.29(11) 2_656 .
N12 Er1 Se2 Er2 -145.6(3) 2_656 .
N20 Er1 Se2 Er2 135.44(7) . .
N19 Er1 Se2 Er2 -156.42(7) . .
Se3C Er1 Se2 Er2 -98.5(3) . .
Se4C Er1 Se2 Er2 -72.1(11) . .
Se3A Er1 Se2 Er2 56.96(5) . .
Se1 Er1 Se2 Er2 67.484(11) . .
Se4A Er1 Se2 Er2 -58.62(11) . .
Se4B Er1 Se2 Er2 -72.2(12) . .
O1 Er2 Se2 Se1 84.86(6) . .
N7 Er2 Se2 Se1 157.29(7) . .
N10 Er2 Se2 Se1 -167.5(3) . .
N16 Er2 Se2 Se1 22.12(8) 2_656 .
N21 Er2 Se2 Se1 -63.28(8) . .
N22 Er2 Se2 Se1 -130.00(7) . .
Se3B Er2 Se2 Se1 12.7(5) 2_656 .
Se4B Er2 Se2 Se1 126.6(18) 2_656 .
Se4C Er2 Se2 Se1 124.5(12) 2_656 .
Se4A Er2 Se2 Se1 144.17(8) 2_656 .
O1 Er2 Se2 Er1 15.28(6) . .
N7 Er2 Se2 Er1 87.70(7) . .
N10 Er2 Se2 Er1 122.9(3) . .
N16 Er2 Se2 Er1 -47.47(8) 2_656 .
N21 Er2 Se2 Er1 -132.87(8) . .
N22 Er2 Se2 Er1 160.41(7) . .
Se1 Er2 Se2 Er1 -69.588(12) . .
Se3B Er2 Se2 Er1 -56.9(5) 2_656 .
Se4B Er2 Se2 Er1 57.0(18) 2_656 .
Se4C Er2 Se2 Er1 54.9(12) 2_656 .
Se4A Er2 Se2 Er1 74.58(8) 2_656 .
O1 Er3 N7 N8 115.1(4) 2_656 .
O1 Er3 N7 N8 175.0(4) . .
N4 Er3 N7 N8 -113.6(4) . .
N16 Er3 N7 N8 -36.7(6) . .
N13 Er3 N7 N8 47.8(4) . .
N23 Er3 N7 N8 -34.9(4) . .
Se3B Er3 N7 N8 -72.5(8) . .
Se3A Er3 N7 N8 48.7(4) 2_656 .
Se3C Er3 N7 N8 -108.1(5) . .
Se4C Er3 N7 N8 -148.2(8) . .
O1 Er3 N7 Er2 -46.69(18) 2_656 .
O1 Er3 N7 Er2 13.23(10) . .
N4 Er3 N7 Er2 84.59(14) . .
N16 Er3 N7 Er2 161.5(3) . .
N13 Er3 N7 Er2 -114.02(15) . .
N23 Er3 N7 Er2 163.26(15) . .
Se3B Er3 N7 Er2 125.7(7) . .
Se3A Er3 N7 Er2 -113.13(14) 2_656 .
Se3C Er3 N7 Er2 90.1(3) . .
Se4C Er3 N7 Er2 50.0(7) . .
O1 Er2 N7 N8 -174.5(4) . .
N10 Er2 N7 N8 -67.0(4) . .
N16 Er2 N7 N8 -126.0(4) 2_656 .
N21 Er2 N7 N8 -10.0(5) . .
N22 Er2 N7 N8 16.3(4) . .
Se1 Er2 N7 N8 123.2(4) . .
Se3B Er2 N7 N8 -103.9(5) 2_656 .
Se4B Er2 N7 N8 -89.5(7) 2_656 .
Se2 Er2 N7 N8 101.3(4) . .
Se4C Er2 N7 N8 -92.4(6) 2_656 .
Se4A Er2 N7 N8 -86.3(4) 2_656 .
O1 Er2 N7 Er3 -13.33(10) . .
N10 Er2 N7 Er3 94.16(16) . .
N16 Er2 N7 Er3 35.2(2) 2_656 .
N21 Er2 N7 Er3 151.10(13) . .
N22 Er2 N7 Er3 177.40(16) . .
Se1 Er2 N7 Er3 -75.66(15) . .
Se3B Er2 N7 Er3 57.3(4) 2_656 .
Se4B Er2 N7 Er3 71.6(6) 2_656 .
Se2 Er2 N7 Er3 -97.57(12) . .
Se4C Er2 N7 Er3 68.7(4) 2_656 .
Se4A Er2 N7 Er3 74.83(12) 2_656 .
Er3 N7 N8 N9 125(27) . .
Er2 N7 N8 N9 -79(28) . .
O1 Er3 N4 N5 -98.3(4) 2_656 .
O1 Er3 N4 N5 -162.3(4) . .
N7 Er3 N4 N5 126.6(4) . .
N16 Er3 N4 N5 -32.2(4) . .
N13 Er3 N4 N5 34.3(7) . .
N23 Er3 N4 N5 49.8(4) . .
Se3B Er3 N4 N5 -31.7(5) . .
Se3A Er3 N4 N5 80.9(5) 2_656 .
Se3C Er3 N4 N5 -27.8(14) . .
Se4C Er3 N4 N5 -87.7(7) . .
O1 Er3 N4 Er1 56.98(17) 2_656 .
O1 Er3 N4 Er1 -7.03(11) . .
N7 Er3 N4 Er1 -78.10(15) . .
N16 Er3 N4 Er1 123.06(15) . .
N13 Er3 N4 Er1 -170.5(4) . .
N23 Er3 N4 Er1 -154.89(16) . .
Se3B Er3 N4 Er1 123.6(4) . .
Se3A Er3 N4 Er1 -123.80(17) 2_656 .
Se3C Er3 N4 Er1 127.5(15) . .
Se4C Er3 N4 Er1 67.6(6) . .
O1 Er1 N4 N5 159.8(5) . .
N13 Er1 N4 N5 106.2(4) 2_656 .
N12 Er1 N4 N5 46.4(4) 2_656 .
N20 Er1 N4 N5 -16.6(5) . .
N19 Er1 N4 N5 -33.0(4) . .
Se3C Er1 N4 N5 14.5(12) . .
Se4C Er1 N4 N5 71.1(7) . .
Se3A Er1 N4 N5 86.1(4) . .
Se2 Er1 N4 N5 -117.6(4) . .
Se1 Er1 N4 N5 -144.4(4) . .
Se4A Er1 N4 N5 72.3(4) . .
Se4B Er1 N4 N5 71.5(9) . .
O1 Er1 N4 Er3 7.03(11) . .
N13 Er1 N4 Er3 -46.6(2) 2_656 .
N12 Er1 N4 Er3 -106.45(16) 2_656 .
N20 Er1 N4 Er3 -169.46(10) . .
N19 Er1 N4 Er3 174.14(18) . .
Se3C Er1 N4 Er3 -138.3(12) . .
Se4C Er1 N4 Er3 -81.7(6) . .
Se3A Er1 N4 Er3 -66.76(15) . .
Se2 Er1 N4 Er3 89.56(12) . .
Se1 Er1 N4 Er3 62.82(18) . .
Se4A Er1 N4 Er3 -80.47(13) . .
Se4B Er1 N4 Er3 -81.3(7) . .
Er3 N4 N5 N6 -135(15) . .
Er1 N4 N5 N6 77(15) . .
O1 Er2 N10 N11 12.0(6) . .
N7 Er2 N10 N11 -56.2(6) . .
N16 Er2 N10 N11 79.6(6) 2_656 .
N21 Er2 N10 N11 158.5(6) . .
N22 Er2 N10 N11 -130.2(6) . .
Se1 Er2 N10 N11 107.3(6) . .
Se3B Er2 N10 N11 87.6(7) 2_656 .
Se4B Er2 N10 N11 27.3(18) 2_656 .
Se2 Er2 N10 N11 -92.3(7) . .
Se4C Er2 N10 N11 20.7(15) 2_656 .
Se4A Er2 N10 N11 -7.0(5) 2_656 .
Er2 N10 N11 N12 -173(100) . .
N10 N11 N12 Er1 153(22) . 2_656
O1 Er3 N13 N14 -162.8(5) 2_656 .
O1 Er3 N13 N14 -101.7(5) . .
N4 Er3 N13 N14 59.0(7) . .
N7 Er3 N13 N14 -34.3(5) . .
N16 Er3 N13 N14 124.2(5) . .
N23 Er3 N13 N14 43.5(5) . .
Se3B Er3 N13 N14 118.4(6) . .
Se3A Er3 N13 N14 -37.2(4) 2_656 .
Se3C Er3 N13 N14 84.1(9) . .
Se4C Er3 N13 N14 163.8(9) . .
O1 Er3 N13 Er1 -11.48(11) 2_656 2_656
O1 Er3 N13 Er1 49.58(19) . 2_656
N4 Er3 N13 Er1 -149.7(4) . 2_656
N7 Er3 N13 Er1 116.93(15) . 2_656
N16 Er3 N13 Er1 -84.49(14) . 2_656
N23 Er3 N13 Er1 -165.21(15) . 2_656
Se3B Er3 N13 Er1 -90.3(4) . 2_656
Se3A Er3 N13 Er1 114.1(4) 2_656 2_656
Se3C Er3 N13 Er1 -124.6(7) . 2_656
Se4C Er3 N13 Er1 -44.9(8) . 2_656
Er3 N13 N14 N15 -17(57) . .
Er1 N13 N14 N15 -162(100) 2_656 .
O1 Er3 N16 N17 -159.8(4) 2_656 .
O1 Er3 N16 N17 138.9(3) . .
N4 Er3 N16 N17 75.6(4) . .
N7 Er3 N16 N17 -3.4(6) . .
N13 Er3 N16 N17 -87.4(4) . .
N23 Er3 N16 N17 -5.1(3) . .
Se3B Er3 N16 N17 74.0(11) . .
Se3A Er3 N16 N17 -81.8(3) 2_656 .
Se3C Er3 N16 N17 74.6(5) . .
Se4C Er3 N16 N17 122.1(7) . .
O1 Er3 N16 Er2 12.01(9) 2_656 2_656
O1 Er3 N16 Er2 -49.32(15) . 2_656
N4 Er3 N16 Er2 -112.55(13) . 2_656
N7 Er3 N16 Er2 168.4(3) . 2_656
N13 Er3 N16 Er2 84.47(13) . 2_656
N23 Er3 N16 Er2 166.70(13) . 2_656
Se3B Er3 N16 Er2 -114.1(11) . 2_656
Se3A Er3 N16 Er2 90.06(10) 2_656 2_656
Se3C Er3 N16 Er2 -113.6(4) . 2_656
Se4C Er3 N16 Er2 -66.1(6) . 2_656
Er3 N16 N17 N18 -4(37) . .
Er2 N16 N17 N18 -173(100) 2_656 .
O1 Er1 Se3A Se4A -83.68(8) . .
N4 Er1 Se3A Se4A -17.24(11) . .
N13 Er1 Se3A Se4A -129.8(3) 2_656 .
N12 Er1 Se3A Se4A 33.13(13) 2_656 .
N20 Er1 Se3A Se4A 120.25(9) . .
N19 Er1 Se3A Se4A 66.13(10) . .
Se3C Er1 Se3A Se4A -1.2(3) . .
Se4C Er1 Se3A Se4A -2.7(6) . .
Se2 Er1 Se3A Se4A -155.43(6) . .
Se1 Er1 Se3A Se4A -163.27(6) . .
Se4B Er1 Se3A Se4A -3.5(7) . .
O1 Er1 Se3A Er3 0.63(6) . 2_656
N4 Er1 Se3A Er3 67.07(10) . 2_656
N13 Er1 Se3A Er3 -45.5(3) 2_656 2_656
N12 Er1 Se3A Er3 117.44(13) 2_656 2_656
N20 Er1 Se3A Er3 -155.44(8) . 2_656
N19 Er1 Se3A Er3 150.43(8) . 2_656
Se3C Er1 Se3A Er3 83.1(3) . 2_656
Se4C Er1 Se3A Er3 81.6(6) . 2_656
Se2 Er1 Se3A Er3 -71.12(6) . 2_656
Se1 Er1 Se3A Er3 -78.96(3) . 2_656
Se4A Er1 Se3A Er3 84.31(6) . 2_656
Se4B Er1 Se3A Er3 80.8(7) . 2_656
Er3 Se3A Se4A Er1 -83.29(3) 2_656 .
Er1 Se3A Se4A Er2 119.48(9) . 2_656
Er3 Se3A Se4A Er2 36.20(7) 2_656 2_656
O1 Er1 Se4A Se3A 90.05(7) . .
N4 Er1 Se4A Se3A 163.70(10) . .
N13 Er1 Se4A Se3A 15.92(11) 2_656 .
N12 Er1 Se4A Se3A -91.4(3) 2_656 .
N20 Er1 Se4A Se3A -60.62(9) . .
N19 Er1 Se4A Se3A -130.39(8) . .
Se3C Er1 Se4A Se3A 178.7(4) . .
Se4C Er1 Se4A Se3A 169(2) . .
Se2 Er1 Se4A Se3A 133.80(10) . .
Se1 Er1 Se4A Se3A 27.24(9) . .
Se4B Er1 Se4A Se3A 167(3) . .
O1 Er1 Se4A Er2 -12.01(9) . 2_656
N4 Er1 Se4A Er2 61.65(12) . 2_656
N13 Er1 Se4A Er2 -86.13(13) 2_656 2_656
N12 Er1 Se4A Er2 166.6(3) 2_656 2_656
N20 Er1 Se4A Er2 -162.67(10) . 2_656
N19 Er1 Se4A Er2 127.55(10) . 2_656
Se3C Er1 Se4A Er2 76.6(4) . 2_656
Se4C Er1 Se4A Er2 67(2) . 2_656
Se3A Er1 Se4A Er2 -102.06(9) . 2_656
Se2 Er1 Se4A Er2 31.74(17) . 2_656
Se1 Er1 Se4A Er2 -74.82(12) . 2_656
Se4B Er1 Se4A Er2 65(3) . 2_656
O1 Er3 Se3B Se4B 66.9(9) 2_656 .
O1 Er3 Se3B Se4B -6.2(9) . .
N4 Er3 Se3B Se4B -60.2(8) . .
N7 Er3 Se3B Se4B -106.8(10) . .
N16 Er3 Se3B Se4B 118.1(15) . .
N13 Er3 Se3B Se4B 137.6(8) . .
N23 Er3 Se3B Se4B -144.4(9) . .
Se3A Er3 Se3B Se4B 145.8(8) 2_656 .
Se3C Er3 Se3B Se4B -61.2(9) . .
Se4C Er3 Se3B Se4B -3.3(13) . .
O1 Er3 Se3B Er2 -0.3(3) 2_656 2_656
O1 Er3 Se3B Er2 -73.4(4) . 2_656
N4 Er3 Se3B Er2 -127.4(4) . 2_656
N7 Er3 Se3B Er2 -174.0(3) . 2_656
N16 Er3 Se3B Er2 50.9(9) . 2_656
N13 Er3 Se3B Er2 70.4(3) . 2_656
N23 Er3 Se3B Er2 148.4(4) . 2_656
Se3A Er3 Se3B Er2 78.6(4) 2_656 2_656
Se3C Er3 Se3B Er2 -128.4(6) . 2_656
Se4C Er3 Se3B Er2 -70.5(7) . 2_656
Er3 Se3B Se4B Er2 -83.0(5) . 2_656
Er2 Se3B Se4B Er1 122.1(13) 2_656 .
Er3 Se3B Se4B Er1 39.0(11) . .
O1 Er1 Se4B Se3B -64.4(12) . .
N4 Er1 Se4B Se3B 11.2(9) . .
N13 Er1 Se4B Se3B -138.8(14) 2_656 .
N12 Er1 Se4B Se3B 139(2) 2_656 .
N20 Er1 Se4B Se3B 143.9(11) . .
N19 Er1 Se4B Se3B 76.7(13) . .
Se3C Er1 Se4B Se3B 28.6(10) . .
Se4C Er1 Se4B Se3B 175(51) . .
Se3A Er1 Se4B Se3B -154.1(15) . .
Se2 Er1 Se4B Se3B -6(2) . .
Se1 Er1 Se4B Se3B -110.2(15) . .
Se4A Er1 Se4B Se3B -165(4) . .
O1 Er1 Se4B Er2 12.2(12) . 2_656
N4 Er1 Se4B Er2 87.7(13) . 2_656
N13 Er1 Se4B Er2 -62.3(13) 2_656 2_656
N12 Er1 Se4B Er2 -145(2) 2_656 2_656
N20 Er1 Se4B Er2 -139.6(11) . 2_656
N19 Er1 Se4B Er2 153.2(13) . 2_656
Se3C Er1 Se4B Er2 105.1(16) . 2_656
Se4C Er1 Se4B Er2 -108(51) . 2_656
Se3A Er1 Se4B Er2 -77.6(14) . 2_656
Se2 Er1 Se4B Er2 70(2) . 2_656
Se1 Er1 Se4B Er2 -34(2) . 2_656
Se4A Er1 Se4B Er2 -89(3) . 2_656
O1 Er1 Se3C Se4C 80.5(7) . .
N4 Er1 Se3C Se4C 113.3(14) . .
N13 Er1 Se3C Se4C 15.2(8) 2_656 .
N12 Er1 Se3C Se4C -31.9(7) 2_656 .
N20 Er1 Se3C Se4C -91.5(7) . .
N19 Er1 Se3C Se4C -119.8(7) . .
Se3A Er1 Se3C Se4C -1.7(7) . .
Se2 Er1 Se3C Se4C 162.8(7) . .
Se1 Er1 Se3C Se4C 142.9(7) . .
Se4A Er1 Se3C Se4C -2.7(6) . .
Se4B Er1 Se3C Se4C 1.0(13) . .
O1 Er1 Se3C Er3 -0.8(2) . .
N4 Er1 Se3C Er3 32.0(9) . .
N13 Er1 Se3C Er3 -66.2(4) 2_656 .
N12 Er1 Se3C Er3 -113.3(4) 2_656 .
N20 Er1 Se3C Er3 -172.83(10) . .
N19 Er1 Se3C Er3 158.8(5) . .
Se4C Er1 Se3C Er3 -81.4(7) . .
Se3A Er1 Se3C Er3 -83.0(3) . .
Se2 Er1 Se3C Er3 81.4(3) . .
Se1 Er1 Se3C Er3 61.5(6) . .
Se4A Er1 Se3C Er3 -84.1(3) . .
Se4B Er1 Se3C Er3 -80.4(8) . .
O1 Er3 Se3C Se4C 6.4(7) 2_656 .
O1 Er3 Se3C Se4C -65.6(6) . .
N4 Er3 Se3C Se4C -109.2(17) . .
N7 Er3 Se3C Se4C -135.7(6) . .
N16 Er3 Se3C Se4C 66.1(6) . .
N13 Er3 Se3C Se4C 109.5(8) . .
N23 Er3 Se3C Se4C 150.9(6) . .
Se3B Er3 Se3C Se4C 66.4(7) . .
Se3A Er3 Se3C Se4C 150.0(7) 2_656 .
O1 Er3 Se3C Er1 72.9(4) 2_656 .
O1 Er3 Se3C Er1 0.9(2) . .
N4 Er3 Se3C Er1 -42.8(13) . .
N7 Er3 Se3C Er1 -69.2(3) . .
N16 Er3 Se3C Er1 132.6(4) . .
N13 Er3 Se3C Er1 176.0(4) . .
N23 Er3 Se3C Er1 -142.6(3) . .
Se3B Er3 Se3C Er1 132.8(6) . .
Se3A Er3 Se3C Er1 -143.6(6) 2_656 .
Se4C Er3 Se3C Er1 66.5(6) . .
Er3 Se3C Se4C Er1 85.7(4) . .
Er1 Se3C Se4C Er2 -125.7(9) . 2_656
Er3 Se3C Se4C Er2 -39.9(8) . 2_656
Er1 Se3C Se4C Er3 -85.7(4) . .
O1 Er1 Se4C Se3C -92.1(6) . .
N4 Er1 Se4C Se3C -17.0(4) . .
N13 Er1 Se4C Se3C -166.5(7) 2_656 .
N12 Er1 Se4C Se3C 109.5(14) 2_656 .
N20 Er1 Se4C Se3C 116.2(6) . .
N19 Er1 Se4C Se3C 48.7(6) . .
Se3A Er1 Se4C Se3C 178.2(8) . .
Se2 Er1 Se4C Se3C -34.2(13) . .
Se1 Er1 Se4C Se3C -140.4(8) . .
Se4A Er1 Se4C Se3C 169(3) . .
Se4B Er1 Se4C Se3C -33(50) . .
O1 Er1 Se4C Er2 9.7(12) . 2_656
N4 Er1 Se4C Er2 84.8(13) . 2_656
N13 Er1 Se4C Er2 -64.7(13) 2_656 2_656
N12 Er1 Se4C Er2 -149(2) 2_656 2_656
N20 Er1 Se4C Er2 -142.0(11) . 2_656
N19 Er1 Se4C Er2 150.6(13) . 2_656
Se3C Er1 Se4C Er2 101.9(15) . 2_656
Se3A Er1 Se4C Er2 -79.9(14) . 2_656
Se2 Er1 Se4C Er2 68(2) . 2_656
Se1 Er1 Se4C Er2 -39(2) . 2_656
Se4A Er1 Se4C Er2 -90(3) . 2_656
Se4B Er1 Se4C Er2 69(49) . 2_656
O1 Er1 Se4C Er3 -30.5(3) . .
N4 Er1 Se4C Er3 44.6(3) . .
N13 Er1 Se4C Er3 -104.9(4) 2_656 .
N12 Er1 Se4C Er3 171.2(15) 2_656 .
N20 Er1 Se4C Er3 177.82(13) . .
N19 Er1 Se4C Er3 110.3(4) . .
Se3C Er1 Se4C Er3 61.6(6) . .
Se3A Er1 Se4C Er3 -120.1(6) . .
Se2 Er1 Se4C Er3 27.5(13) . .
Se1 Er1 Se4C Er3 -78.8(11) . .
Se4A Er1 Se4C Er3 -130(3) . .
Se4B Er1 Se4C Er3 29(50) . .
O1 Er3 Se4C Se3C -173.9(7) 2_656 .
O1 Er3 Se4C Se3C 102.6(6) . .
N4 Er3 Se4C Se3C 15.7(5) . .
N7 Er3 Se4C Se3C 64.3(9) . .
N16 Er3 Se4C Se3C -92.2(7) . .
N13 Er3 Se4C Se3C -140.2(6) . .
N23 Er3 Se4C Se3C -31.7(6) . .
Se3B Er3 Se4C Se3C -74.6(9) . .
Se3A Er3 Se4C Se3C -153.9(8) 2_656 .
O1 Er3 Se4C Er1 116.4(6) 2_656 .
O1 Er3 Se4C Er1 33.0(3) . .
N4 Er3 Se4C Er1 -53.9(3) . .
N7 Er3 Se4C Er1 -5.3(10) . .
N16 Er3 Se4C Er1 -161.9(8) . .
N13 Er3 Se4C Er1 150.2(2) . .
N23 Er3 Se4C Er1 -101.3(5) . .
Se3B Er3 Se4C Er1 -144.2(10) . .
Se3A Er3 Se4C Er1 136.4(5) 2_656 .
Se3C Er3 Se4C Er1 -69.6(6) . .
O1 Er3 Se4C Er2 -32.3(3) 2_656 2_656
O1 Er3 Se4C Er2 -115.8(6) . 2_656
N4 Er3 Se4C Er2 157.3(7) . 2_656
N7 Er3 Se4C Er2 -154.08(18) . 2_656
N16 Er3 Se4C Er2 49.4(2) . 2_656
N13 Er3 Se4C Er2 1.5(10) . 2_656
N23 Er3 Se4C Er2 109.9(4) . 2_656
Se3B Er3 Se4C Er2 67.0(5) . 2_656
Se3A Er3 Se4C Er2 -12.3(13) 2_656 2_656
Se3C Er3 Se4C Er2 141.6(8) . 2_656
O1 Er1 N19 C5 -43.4(3) . .
N4 Er1 N19 C5 -62.6(3) . .
N13 Er1 N19 C5 179.6(3) 2_656 .
N12 Er1 N19 C5 -145.3(3) 2_656 .
N20 Er1 N19 C5 129.2(3) . .
Se3C Er1 N19 C5 -76.0(5) . .
Se4C Er1 N19 C5 -118.0(6) . .
Se3A Er1 N19 C5 -172.4(3) . .
Se2 Er1 N19 C5 31.2(3) . .
Se1 Er1 N19 C5 67.2(3) . .
Se4A Er1 N19 C5 -128.6(3) . .
Se4B Er1 N19 C5 -116.7(7) . .
O1 Er1 N19 C1 123.8(3) . .
N4 Er1 N19 C1 104.6(3) . .
N13 Er1 N19 C1 -13.2(4) 2_656 .
N12 Er1 N19 C1 21.9(3) 2_656 .
N20 Er1 N19 C1 -63.6(3) . .
Se3C Er1 N19 C1 91.2(5) . .
Se4C Er1 N19 C1 49.2(6) . .
Se3A Er1 N19 C1 -5.2(3) . .
Se2 Er1 N19 C1 -161.6(3) . .
Se1 Er1 N19 C1 -125.6(3) . .
Se4A Er1 N19 C1 38.6(3) . .
Se4B Er1 N19 C1 50.5(7) . .
C5 N19 C1 C2 0.8(6) . .
Er1 N19 C1 C2 -167.0(3) . .
N19 C1 C2 C3 -0.7(7) . .
C1 C2 C3 C4 -0.4(7) . .
C2 C3 C4 C5 1.5(7) . .
C1 N19 C5 C4 0.3(6) . .
Er1 N19 C5 C4 168.1(3) . .
C3 C4 C5 N19 -1.5(7) . .
O1 Er1 N20 C6 -84.3(4) . .
N4 Er1 N20 C6 88.9(4) . .
N13 Er1 N20 C6 -45.9(3) 2_656 .
N12 Er1 N20 C6 26.7(3) 2_656 .
N19 Er1 N20 C6 105.4(3) . .
Se3C Er1 N20 C6 79.2(5) . .
Se4C Er1 N20 C6 23.3(8) . .
Se3A Er1 N20 C6 -28.6(3) . .
Se2 Er1 N20 C6 -171.6(3) . .
Se1 Er1 N20 C6 -126.8(3) . .
Se4A Er1 N20 C6 13.4(3) . .
Se4B Er1 N20 C6 24.0(8) . .
O1 Er1 N20 C10 101.4(3) . .
N4 Er1 N20 C10 -85.4(3) . .
N13 Er1 N20 C10 139.8(3) 2_656 .
N12 Er1 N20 C10 -147.6(3) 2_656 .
N19 Er1 N20 C10 -68.9(3) . .
Se3C Er1 N20 C10 -95.1(5) . .
Se4C Er1 N20 C10 -151.0(7) . .
Se3A Er1 N20 C10 157.1(3) . .
Se2 Er1 N20 C10 14.1(3) . .
Se1 Er1 N20 C10 58.9(3) . .
Se4A Er1 N20 C10 -160.9(3) . .
Se4B Er1 N20 C10 -150.3(8) . .
C10 N20 C6 C7 -1.0(6) . .
Er1 N20 C6 C7 -175.2(4) . .
N20 C6 C7 C8 0.6(8) . .
C6 C7 C8 C9 0.3(8) . .
C7 C8 C9 C10 -0.7(7) . .
C6 N20 C10 C9 0.4(6) . .
Er1 N20 C10 C9 175.3(3) . .
C8 C9 C10 N20 0.4(7) . .
O1 Er2 N21 C15 -113.7(3) . .
N7 Er2 N21 C15 94.4(3) . .
N10 Er2 N21 C15 151.1(3) . .
N16 Er2 N21 C15 -132.1(3) 2_656 .
N22 Er2 N21 C15 67.7(3) . .
Se1 Er2 N21 C15 -51.1(3) . .
Se3B Er2 N21 C15 -149.3(5) 2_656 .
Se4B Er2 N21 C15 167.4(7) 2_656 .
Se2 Er2 N21 C15 -9.0(3) . .
Se4C Er2 N21 C15 167.7(6) 2_656 .
Se4A Er2 N21 C15 156.8(3) 2_656 .
O1 Er2 N21 C11 69.8(4) . .
N7 Er2 N21 C11 -82.0(4) . .
N10 Er2 N21 C11 -25.4(3) . .
N16 Er2 N21 C11 51.4(3) 2_656 .
N22 Er2 N21 C11 -108.8(3) . .
Se1 Er2 N21 C11 132.4(3) . .
Se3B Er2 N21 C11 34.3(5) 2_656 .
Se4B Er2 N21 C11 -9.0(7) 2_656 .
Se2 Er2 N21 C11 174.5(3) . .
Se4C Er2 N21 C11 -8.8(6) 2_656 .
Se4A Er2 N21 C11 -19.7(3) 2_656 .
C15 N21 C11 C12 0.7(6) . .
Er2 N21 C11 C12 177.2(4) . .
N21 C11 C12 C13 -1.2(8) . .
C11 C12 C13 C14 0.6(8) . .
C12 C13 C14 C15 0.2(8) . .
C11 N21 C15 C14 0.2(6) . .
Er2 N21 C15 C14 -176.5(4) . .
C13 C14 C15 N21 -0.7(7) . .
O1 Er2 N22 C20 -118.6(3) . .
N7 Er2 N22 C20 -101.5(3) . .
N10 Er2 N22 C20 -21.3(3) . .
N16 Er2 N22 C20 28.5(4) 2_656 .
N21 Er2 N22 C20 60.2(3) . .
Se1 Er2 N22 C20 132.3(3) . .
Se3B Er2 N22 C20 17.7(5) 2_656 .
Se4B Er2 N22 C20 -29.6(7) 2_656 .
Se2 Er2 N22 C20 171.0(3) . .
Se4C Er2 N22 C20 -33.4(6) 2_656 .
Se4A Er2 N22 C20 -40.4(3) 2_656 .
O1 Er2 N22 C16 53.4(4) . .
N7 Er2 N22 C16 70.5(3) . .
N10 Er2 N22 C16 150.7(3) . .
N16 Er2 N22 C16 -159.5(3) 2_656 .
N21 Er2 N22 C16 -127.9(3) . .
Se1 Er2 N22 C16 -55.7(3) . .
Se3B Er2 N22 C16 -170.4(5) 2_656 .
Se4B Er2 N22 C16 142.3(7) 2_656 .
Se2 Er2 N22 C16 -17.0(3) . .
Se4C Er2 N22 C16 138.6(6) 2_656 .
Se4A Er2 N22 C16 131.5(3) 2_656 .
C20 N22 C16 C17 1.0(7) . .
Er2 N22 C16 C17 -171.2(4) . .
N22 C16 C17 C18 -2.3(8) . .
C16 C17 C18 C19 2.6(7) . .
C17 C18 C19 C20 -1.8(7) . .
C16 N22 C20 C19 -0.1(7) . .
Er2 N22 C20 C19 172.5(4) . .
C18 C19 C20 N22 0.5(8) . .
O1 Er3 N23 C21 -10.4(4) 2_656 .
O1 Er3 N23 C21 171.3(2) . .
N4 Er3 N23 C21 -138.8(3) . .
N7 Er3 N23 C21 125.4(3) . .
N16 Er3 N23 C21 -55.2(3) . .
N13 Er3 N23 C21 36.3(3) . .
Se3B Er3 N23 C21 -73.0(5) . .
Se3A Er3 N23 C21 53.4(3) 2_656 .
Se3C Er3 N23 C21 -126.2(4) . .
Se4C Er3 N23 C21 -104.4(4) . .
O1 Er3 N23 C25 170.4(2) 2_656 .
O1 Er3 N23 C25 -7.9(3) . .
N4 Er3 N23 C25 42.0(3) . .
N7 Er3 N23 C25 -53.8(3) . .
N16 Er3 N23 C25 125.6(3) . .
N13 Er3 N23 C25 -142.9(3) . .
Se3B Er3 N23 C25 107.8(5) . .
Se3A Er3 N23 C25 -125.8(3) 2_656 .
Se3C Er3 N23 C25 54.6(4) . .
Se4C Er3 N23 C25 76.4(4) . .
C25 N23 C21 C22 -1.0(6) . .
Er3 N23 C21 C22 179.8(3) . .
N23 C21 C22 C23 1.0(7) . .
C21 C22 C23 C24 -0.2(7) . .
C22 C23 C24 C25 -0.4(7) . .
C21 N23 C25 C24 0.3(6) . .
Er3 N23 C25 C24 179.6(3) . .
C23 C24 C25 N23 0.4(7) . .
C30 N24 C26 C27 2.9(8) . .
N24 C26 C27 C28 -2.6(9) . .
C26 C27 C28 C29 -1.5(10) . .
C27 C28 C29 C30 5.0(11) . .
C28 C29 C30 N24 -4.7(11) . .
C26 N24 C30 C29 0.8(9) . .
C32 N25 C31 C32 -0.2(11) 2 .
N25 C31 C32 C33 0.2(11) . 2
N25 C31 C32 N25 0.2(11) . 2
