#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:07:40 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179614 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/78/4507854.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_4507854
loop_
_publ_author_name
'Silva, Patrícia'
'Cunha-Silva, Luís'
'Silva, Nuno J. O.'
'Rocha, João'
'Paz, Filipe A. Almeida'
_publ_section_title
;
 Metal--Organic Frameworks Assembled From Erbium Tetramers and
 2,5-Pyridinedicarboxylic Acid
;
_journal_issue                   6
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              2607
_journal_paper_doi               10.1021/cg400369a
_journal_volume                  13
_journal_year                    2013
_chemical_formula_moiety         'C35 H27 Er6 N5 O30, 2(H2 O)'
_chemical_formula_sum            'C35 H31 Er6 N5 O32'
_chemical_formula_weight         2037.21
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             '06 March 2013'
_audit_creation_method           'SHELXL-97, manual editing plus enCIFer'
_cell_angle_alpha                90.00
_cell_angle_beta                 100.195(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.807(4)
_cell_length_b                   13.6667(19)
_cell_length_c                   14.224(2)
_cell_measurement_reflns_used    9962
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.52
_cell_measurement_theta_min      2.50
_cell_volume                     4746.2(12)
_computing_cell_refinement       'APEX2 (Bruker, 2006)'
_computing_data_collection       'APEX2 (Bruker, 2006)'
_computing_data_reduction        'SAINT+ (Bruker, 2005)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2009)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker X8 Kappa CCD APEX II'
_diffrn_measurement_method       'ω / φ 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  0.0740
_diffrn_reflns_av_sigmaI/netI    0.0495
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            73582
_diffrn_reflns_theta_full        29.13
_diffrn_reflns_theta_max         29.13
_diffrn_reflns_theta_min         3.60
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    10.598
_exptl_absorpt_correction_T_max  0.9014
_exptl_absorpt_correction_T_min  0.1008
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS (Sheldrick, 1997)
;
_exptl_crystal_colour            Pink
_exptl_crystal_density_diffrn    2.851
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needle
_exptl_crystal_F_000             3760
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.01
_refine_diff_density_max         8.129
_refine_diff_density_min         -2.009
_refine_diff_density_rms         0.322
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     755
_refine_ls_number_reflns         12742
_refine_ls_number_restraints     291
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0635
_refine_ls_R_factor_gt           0.0426
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0203P)²+120.9675P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0838
_refine_ls_wR_factor_ref         0.0908
_reflns_number_gt                9944
_reflns_number_total             12742
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            cg400369a_si_002.cif
_cod_data_source_block           Compound-1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.3.1 from
2005-06-27.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.3.1 from 2005-06-27.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        4746.4(12)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4507854
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Er1 Er 0.228620(15) 0.26781(3) 0.23007(3) 0.00816(8) Uani 1 1 d .
Er2 Er 0.258615(16) 0.20690(3) -0.00731(3) 0.00907(8) Uani 1 1 d .
Er3 Er 0.280500(14) 0.01367(3) 0.18317(2) 0.00699(7) Uani 1 1 d .
Er4 Er 0.136382(14) 0.10752(3) 0.10122(2) 0.00676(7) Uani 1 1 d .
Er5 Er 0.225879(14) 0.49882(3) 0.32142(2) 0.00668(7) Uani 1 1 d .
Er6 Er 0.364523(15) 0.37856(3) 0.35954(3) 0.01144(8) Uani 1 1 d .
O1W O 0.0730(3) 0.2268(5) 0.0171(5) 0.0168(13) Uani 1 1 d D
H1A H 0.044(2) 0.210(8) 0.050(5) 0.025 Uiso 1 1 d D
H1B H 0.061(3) 0.219(8) -0.0495(13) 0.025 Uiso 1 1 d D
O20W O 0.4107(7) 0.2578(9) 0.4640(11) 0.037(6) Uani 0.60(3) 1 d P
O21W O 0.3760(11) 0.2325(15) 0.0076(17) 0.041(8) Uani 0.40(3) 1 d P
O1 O 0.1884(2) 0.2418(4) 0.0716(4) 0.0109(12) Uani 1 1 d U
H1 H 0.1655 0.2983 0.0431 0.016 Uiso 1 1 calc R
O2 O 0.2919(2) 0.1811(4) 0.1522(4) 0.0097(11) Uani 1 1 d U
H2 H 0.3305 0.2038 0.1721 0.015 Uiso 1 1 calc R
O3 O 0.2153(2) 0.0573(4) 0.0529(4) 0.0075(11) Uani 1 1 d U
H3 H 0.2085 0.0043 0.0038 0.011 Uiso 1 1 calc R
O4 O 0.2115(2) 0.1025(4) 0.2331(4) 0.0096(11) Uani 1 1 d U
H4 H 0.2014 0.0788 0.2942 0.014 Uiso 1 1 calc R
O5 O 0.2019(2) 0.1573(4) -0.1417(4) 0.0072(11) Uani 1 1 d U
H5 H 0.1621 0.1653 -0.1392 0.011 Uiso 1 1 calc R
O6 O 0.2980(2) 0.2477(4) -0.1373(4) 0.0101(11) Uani 1 1 d U
H6 H 0.3146 0.3145 -0.1316 0.015 Uiso 1 1 calc R
O7 O 0.2848(2) 0.4023(4) 0.2462(4) 0.0079(11) Uani 1 1 d U
H7 H 0.2916 0.4297 0.1842 0.012 Uiso 1 1 calc R
O8 O 0.2961(2) 0.4346(4) 0.4357(4) 0.0083(11) Uani 1 1 d U
H8 H 0.3098 0.4823 0.4877 0.013 Uiso 1 1 calc R
O9 O 0.2869(3) 0.3693(4) 0.0464(4) 0.0155(13) Uani 1 1 d .
O10 O 0.2149(3) 0.3729(5) -0.0704(4) 0.0155(13) Uani 1 1 d .
O11 O 0.2844(3) 0.8755(4) 0.0756(5) 0.0162(13) Uani 1 1 d .
O12 O 0.2249(2) 0.8813(4) -0.0620(4) 0.0126(12) Uani 1 1 d .
O13 O 0.2137(2) -0.1001(4) 0.2058(4) 0.0132(12) Uani 1 1 d .
O14 O 0.1288(2) -0.0566(4) 0.1369(4) 0.0114(12) Uani 1 1 d U
O15 O 0.1778(2) -0.5760(4) 0.1793(4) 0.0100(11) Uani 1 1 d .
O16 O 0.1068(3) -0.5748(5) 0.0568(5) 0.032(2) Uani 1 1 d .
O17 O 0.3323(3) 0.0705(5) 0.3257(4) 0.0188(14) Uani 1 1 d .
O18 O 0.4064(5) 0.0636(6) 0.4395(8) 0.075(4) Uani 1 1 d .
O19 O 0.2914(2) -0.3974(5) 0.2922(5) 0.0143(13) Uani 1 1 d .
O20 O 0.3774(3) -0.4501(5) 0.3445(5) 0.0229(15) Uani 1 1 d .
O21 O 0.5567(5) -0.3028(9) 0.3307(9) 0.073(4) Uani 1 1 d .
O22 O 0.6146(4) -0.2355(9) 0.2443(9) 0.077(4) Uani 1 1 d .
O23 O 0.3597(2) 0.0161(5) 0.1181(5) 0.0170(13) Uani 1 1 d .
O24 O 0.4110(3) 0.0545(5) 0.0083(5) 0.0206(14) Uani 1 1 d .
O25 O 0.1304(2) 0.2270(4) 0.2168(4) 0.0087(11) Uani 1 1 d .
O26 O 0.0922(3) 0.2924(5) 0.3327(5) 0.0166(13) Uani 1 1 d .
O27 O -0.0923(2) -0.0412(4) 0.0370(4) 0.0122(12) Uani 1 1 d .
O28 O -0.1373(2) 0.0127(5) 0.1491(4) 0.0137(12) Uani 1 1 d .
N1 N 0.2979(4) 0.6738(7) 0.0509(6) 0.028(2) Uani 1 1 d .
N2 N 0.1797(3) -0.3880(5) 0.1984(5) 0.0093(13) Uani 1 1 d .
N3 N 0.3309(3) -0.1143(5) 0.2935(5) 0.0106(14) Uani 1 1 d .
N4 N 0.5378(4) -0.1121(9) 0.1605(9) 0.048(3) Uani 1 1 d .
N5 N 0.0488(3) 0.1026(5) 0.1682(5) 0.0105(14) Uani 1 1 d .
C1 C 0.2511(4) 0.4162(6) -0.0120(6) 0.0122(16) Uani 1 1 d U
C2 C 0.2536(4) 0.5253(6) -0.0092(6) 0.0143(17) Uani 1 1 d U
C3 C 0.2968(4) 0.5725(7) 0.0454(6) 0.0169(18) Uani 1 1 d U
H3A H 0.3263 0.5356 0.0799 0.020 Uiso 1 1 calc R
C4 C 0.2114(4) 0.5774(6) -0.0607(6) 0.0102(16) Uani 1 1 d U
H4A H 0.1815 0.5443 -0.0984 0.012 Uiso 1 1 calc R
C5 C 0.2551(4) 0.7256(6) -0.0013(6) 0.0108(16) Uani 1 1 d U
C6 C 0.2124(4) 0.6776(7) -0.0577(6) 0.0142(17) Uani 1 1 d U
H6A H 0.1835 0.7140 -0.0946 0.017 Uiso 1 1 calc R
C7 C 0.2552(3) 0.8377(6) 0.0046(6) 0.0095(15) Uani 1 1 d U
C8 C 0.1655(3) -0.1191(6) 0.1669(6) 0.0110(16) Uani 1 1 d U
C9 C 0.1514(3) -0.2249(6) 0.1516(6) 0.0087(15) Uani 1 1 d U
C10 C 0.1104(4) -0.2606(7) 0.0824(6) 0.0150(17) Uani 1 1 d U
H10 H 0.0858 -0.2170 0.0443 0.018 Uiso 1 1 calc R
C11 C 0.1050(4) -0.3616(7) 0.0686(6) 0.0164(18) Uani 1 1 d U
H11 H 0.0776 -0.3878 0.0199 0.020 Uiso 1 1 calc R
C12 C 0.1409(3) -0.4230(6) 0.1277(6) 0.0111(16) Uani 1 1 d U
C13 C 0.1848(3) -0.2910(6) 0.2088(6) 0.0106(16) Uani 1 1 d U
H13 H 0.2126 -0.2662 0.2576 0.013 Uiso 1 1 calc R
C14 C 0.1409(4) -0.5338(7) 0.1200(6) 0.0150(18) Uani 1 1 d U
C15 C 0.3704(5) 0.0261(8) 0.3785(8) 0.026(2) Uani 1 1 d U
C16 C 0.3718(4) -0.0823(7) 0.3631(7) 0.021(2) Uani 1 1 d U
C17 C 0.4079(4) -0.1453(8) 0.4183(7) 0.026(2) Uani 1 1 d U
H17 H 0.4368 -0.1208 0.4654 0.031 Uiso 1 1 calc R
C18 C 0.4010(4) -0.2462(7) 0.4032(7) 0.022(2) Uani 1 1 d U
H18 H 0.4257 -0.2912 0.4389 0.027 Uiso 1 1 calc R
C19 C 0.3584(4) -0.2793(6) 0.3368(6) 0.0136(17) Uani 1 1 d U
C20 C 0.3243(3) -0.2103(6) 0.2826(6) 0.0128(17) Uani 1 1 d U
H20 H 0.2949 -0.2335 0.2357 0.015 Uiso 1 1 calc R
C21 C 0.3417(4) -0.3843(7) 0.3227(6) 0.0134(17) Uani 1 1 d U
C22 C 0.5686(6) -0.2472(12) 0.2674(11) 0.050(3) Uani 1 1 d U
C23 C 0.5223(6) -0.1876(11) 0.2115(10) 0.046(3) Uani 1 1 d U
C24 C 0.4681(5) -0.2138(11) 0.2058(10) 0.044(3) Uani 1 1 d U
H24 H 0.4585 -0.2739 0.2320 0.052 Uiso 1 1 calc R
C25 C 0.4283(5) -0.1508(9) 0.1612(8) 0.031(2) Uani 1 1 d U
H25 H 0.3906 -0.1670 0.1559 0.038 Uiso 1 1 calc R
C26 C 0.4439(4) -0.0631(8) 0.1239(7) 0.021(2) Uani 1 1 d U
C27 C 0.4994(4) -0.0502(8) 0.1219(8) 0.027(2) Uani 1 1 d U
H27 H 0.5102 0.0064 0.0911 0.032 Uiso 1 1 calc R
C28 C 0.4016(4) 0.0093(7) 0.0803(7) 0.0178(18) Uani 1 1 d U
C29 C 0.0921(4) 0.2372(7) 0.2628(6) 0.0125(16) Uani 1 1 d U
C30 C 0.0418(4) 0.1760(7) 0.2280(6) 0.0141(17) Uani 1 1 d U
C31 C -0.0076(4) 0.1980(8) 0.2542(7) 0.021(2) Uani 1 1 d U
H31 H -0.0107 0.2499 0.2973 0.025 Uiso 1 1 calc R
C32 C -0.0531(4) 0.1421(7) 0.2157(7) 0.0192(19) Uani 1 1 d U
H32 H -0.0879 0.1561 0.2315 0.023 Uiso 1 1 calc R
C33 C -0.0471(3) 0.0661(7) 0.1542(6) 0.0121(16) Uani 1 1 d U
C34 C 0.0047(3) 0.0482(6) 0.1332(5) 0.0085(15) Uani 1 1 d U
H34 H 0.0091 -0.0050 0.0923 0.010 Uiso 1 1 calc R
C35 C -0.0964(3) 0.0079(6) 0.1103(6) 0.0096(15) Uani 1 1 d U
O10W O 0.3852(8) 0.4289(19) 0.1921(13) 0.059(6) Uani 0.50 1 d P
O11W O 0.1097(12) 0.013(2) 0.357(2) 0.068(8) Uani 0.40 1 d PU
O12W O 0.0790(18) -0.105(3) 0.315(3) 0.039(10) Uani 0.20 1 d PU
O13W O 0.0113(18) -0.005(3) 0.414(3) 0.042(10) Uani 0.20 1 d PU
O14W O -0.006(2) -0.121(5) 0.392(4) 0.121(19) Uani 0.30 1 d PU
O15W O 0.4759(11) 0.499(3) 0.127(3) 0.110(16) Uani 0.40 1 d P
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'
Er Er -0.2586 4.9576 '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'
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
O5 Er1 O7 79.54(19) 4_566 .
O5 Er1 O4 110.1(2) 4_566 .
O7 Er1 O4 153.7(2) . .
O5 Er1 O1 134.9(2) 4_566 .
O7 Er1 O1 111.6(2) . .
O4 Er1 O1 79.6(2) . .
O5 Er1 O6 70.80(19) 4_566 4_566
O7 Er1 O6 69.1(2) . 4_566
O4 Er1 O6 90.5(2) . 4_566
O1 Er1 O6 154.3(2) . 4_566
O5 Er1 O2 153.83(19) 4_566 .
O7 Er1 O2 90.39(19) . .
O4 Er1 O2 70.1(2) . .
O1 Er1 O2 71.3(2) . .
O6 Er1 O2 83.05(19) 4_566 .
O5 Er1 O25 75.00(18) 4_566 .
O7 Er1 O25 139.56(19) . .
O4 Er1 O25 66.25(19) . .
O1 Er1 O25 69.14(19) . .
O6 Er1 O25 128.16(19) 4_566 .
O2 Er1 O25 124.86(18) . .
O5 Er1 O15 69.44(19) 4_566 1_565
O7 Er1 O15 67.30(19) . 1_565
O4 Er1 O15 138.8(2) . 1_565
O1 Er1 O15 75.21(19) . 1_565
O6 Er1 O15 124.75(19) 4_566 1_565
O2 Er1 O15 128.62(19) . 1_565
O25 Er1 O15 74.51(19) . 1_565
O5 Er1 Er5 41.97(14) 4_566 .
O7 Er1 Er5 43.49(14) . .
O4 Er1 Er5 152.05(14) . .
O1 Er1 Er5 118.40(15) . .
O6 Er1 Er5 80.63(14) 4_566 .
O2 Er1 Er5 133.88(14) . .
O25 Er1 Er5 98.71(13) . .
O15 Er1 Er5 44.27(13) 1_565 .
O5 Er1 Er4 116.65(14) 4_566 .
O7 Er1 Er4 153.63(14) . .
O4 Er1 Er4 43.88(14) . .
O1 Er1 Er4 42.07(15) . .
O6 Er1 Er4 134.30(14) 4_566 .
O2 Er1 Er4 82.36(13) . .
O25 Er1 Er4 42.69(13) . .
O15 Er1 Er4 97.73(13) 1_565 .
Er5 Er1 Er4 137.057(15) . .
O5 Er1 Er2 165.10(14) 4_566 .
O7 Er1 Er2 93.17(14) . .
O4 Er1 Er2 82.14(14) . .
O1 Er1 Er2 36.63(14) . .
O6 Er1 Er2 118.89(14) 4_566 .
O2 Er1 Er2 37.47(13) . .
O25 Er1 Er2 103.63(13) . .
O15 Er1 Er2 95.80(13) 1_565 .
Er5 Er1 Er2 125.346(14) . .
Er4 Er1 Er2 65.906(13) . .
O5 Er1 Er2 35.64(14) 4_566 4_566
O7 Er1 Er2 79.26(14) . 4_566
O4 Er1 Er2 94.45(14) . 4_566
O1 Er1 Er2 165.88(14) . 4_566
O6 Er1 Er2 36.94(14) 4_566 4_566
O2 Er1 Er2 118.94(13) . 4_566
O25 Er1 Er2 96.74(13) . 4_566
O15 Er1 Er2 102.21(13) 1_565 4_566
Er5 Er1 Er2 62.824(10) . 4_566
Er4 Er1 Er2 126.331(15) . 4_566
Er2 Er1 Er2 155.788(16) . 4_566
O5 Er2 O1 93.6(2) . .
O5 Er2 O2 147.8(2) . .
O1 Er2 O2 73.7(2) . .
O5 Er2 O6 71.6(2) . .
O1 Er2 O6 144.2(2) . .
O2 Er2 O6 134.3(2) . .
O5 Er2 O8 71.79(19) . 4_565
O1 Er2 O8 136.4(2) . 4_565
O2 Er2 O8 96.9(2) . 4_565
O6 Er2 O8 70.9(2) . 4_565
O5 Er2 O9 130.1(2) . .
O1 Er2 O9 81.7(2) . .
O2 Er2 O9 78.2(2) . .
O6 Er2 O9 83.7(2) . .
O8 Er2 O9 139.1(2) 4_565 .
O5 Er2 O3 78.83(19) . .
O1 Er2 O3 66.1(2) . .
O2 Er2 O3 68.99(19) . .
O6 Er2 O3 137.08(19) . .
O8 Er2 O3 70.71(19) 4_565 .
O9 Er2 O3 138.96(19) . .
O5 Er2 O10 79.1(2) . .
O1 Er2 O10 71.3(2) . .
O2 Er2 O10 121.9(2) . .
O6 Er2 O10 73.92(19) . .
O8 Er2 O10 139.76(19) 4_565 .
O9 Er2 O10 52.2(2) . .
O3 Er2 O10 130.14(19) . .
O5 Er2 C1 104.5(2) . .
O1 Er2 C1 75.6(2) . .
O2 Er2 C1 100.7(2) . .
O6 Er2 C1 77.0(2) . .
O8 Er2 C1 147.2(2) 4_565 .
O9 Er2 C1 26.2(2) . .
O3 Er2 C1 141.7(2) . .
O10 Er2 C1 26.1(2) . .
O5 Er2 Er1 130.17(14) . .
O1 Er2 Er1 37.43(14) . .
O2 Er2 Er1 39.19(14) . .
O6 Er2 Er1 149.76(15) . .
O8 Er2 Er1 131.24(13) 4_565 .
O9 Er2 Er1 66.15(15) . .
O3 Er2 Er1 72.84(12) . .
O10 Er2 Er1 88.83(13) . .
C1 Er2 Er1 76.86(17) . .
O5 Er2 Er6 82.22(14) . 4_565
O1 Er2 Er6 173.15(15) . 4_565
O2 Er2 Er6 107.10(15) . 4_565
O6 Er2 Er6 39.13(14) . 4_565
O8 Er2 Er6 37.03(14) 4_565 4_565
O9 Er2 Er6 105.10(16) . 4_565
O3 Er2 Er6 107.57(13) . 4_565
O10 Er2 Er6 112.95(14) . 4_565
C1 Er2 Er6 110.67(17) . 4_565
Er1 Er2 Er6 145.154(15) . 4_565
O5 Er2 Er1 36.06(14) . 4_565
O1 Er2 Er1 116.28(14) . 4_565
O2 Er2 Er1 170.01(15) . 4_565
O6 Er2 Er1 37.33(14) . 4_565
O8 Er2 Er1 75.47(13) 4_565 4_565
O9 Er2 Er1 103.27(15) . 4_565
O3 Er2 Er1 113.36(12) . 4_565
O10 Er2 Er1 64.72(13) . 4_565
C1 Er2 Er1 83.26(17) . 4_565
Er1 Er2 Er1 150.423(15) . 4_565
Er6 Er2 Er1 62.921(13) 4_565 4_565
O4 Er3 O3 70.09(19) . .
O4 Er3 O23 147.4(2) . .
O3 Er3 O23 101.4(2) . .
O4 Er3 O17 83.2(2) . .
O3 Er3 O17 144.1(2) . .
O23 Er3 O17 88.1(2) . .
O4 Er3 O13 74.0(2) . .
O3 Er3 O13 82.5(2) . .
O23 Er3 O13 137.5(2) . .
O17 Er3 O13 113.4(2) . .
O4 Er3 O2 70.5(2) . .
O3 Er3 O2 71.91(19) . .
O23 Er3 O2 76.9(2) . .
O17 Er3 O2 76.9(2) . .
O13 Er3 O2 141.6(2) . .
O4 Er3 O11 135.4(2) . 1_545
O3 Er3 O11 78.3(2) . 1_545
O23 Er3 O11 68.3(2) . 1_545
O17 Er3 O11 136.5(2) . 1_545
O13 Er3 O11 71.3(2) . 1_545
O2 Er3 O11 127.9(2) . 1_545
O4 Er3 N3 119.0(2) . .
O3 Er3 N3 151.1(2) . .
O23 Er3 N3 84.1(2) . .
O17 Er3 N3 63.6(2) . .
O13 Er3 N3 74.9(2) . .
O2 Er3 N3 136.5(2) . .
O11 Er3 N3 77.5(2) 1_545 .
O4 Er3 Er2 80.32(14) . .
O3 Er3 Er2 41.28(14) . .
O23 Er3 Er2 74.10(16) . .
O17 Er3 Er2 112.34(16) . .
O13 Er3 Er2 123.52(15) . .
O2 Er3 Er2 35.79(14) . .
O11 Er3 Er2 96.23(15) 1_545 .
N3 Er3 Er2 158.02(16) . .
O4 Er3 Er4 37.38(14) . .
O3 Er3 Er4 34.57(14) . .
O23 Er3 Er4 133.98(16) . .
O17 Er3 Er4 119.97(17) . .
O13 Er3 Er4 67.25(15) . .
O2 Er3 Er4 75.59(14) . .
O11 Er3 Er4 102.05(15) 1_545 .
N3 Er3 Er4 139.69(16) . .
Er2 Er3 Er4 62.028(12) . .
O4 Er3 Er1 34.34(15) . .
O3 Er3 Er1 72.21(14) . .
O23 Er3 Er1 113.24(16) . .
O17 Er3 Er1 72.22(16) . .
O13 Er3 Er1 108.26(15) . .
O2 Er3 Er1 37.02(15) . .
O11 Er3 Er1 150.19(15) 1_545 .
N3 Er3 Er1 131.93(16) . .
Er2 Er3 Er1 58.263(12) . .
Er4 Er3 Er1 54.113(9) . .
O27 Er4 O3 85.8(2) 3 .
O27 Er4 O14 75.9(2) 3 .
O3 Er4 O14 83.2(2) . .
O27 Er4 O1 110.9(2) 3 .
O3 Er4 O1 69.6(2) . .
O14 Er4 O1 150.9(2) . .
O27 Er4 O25 143.9(2) 3 .
O3 Er4 O25 125.70(19) . .
O14 Er4 O25 120.3(2) . .
O1 Er4 O25 71.5(2) . .
O27 Er4 O4 149.0(2) 3 .
O3 Er4 O4 68.89(19) . .
O14 Er4 O4 83.3(2) . .
O1 Er4 O4 77.6(2) . .
O25 Er4 O4 66.9(2) . .
O27 Er4 O1W 70.7(2) 3 .
O3 Er4 O1W 124.5(2) . .
O14 Er4 O1W 133.5(2) . .
O1 Er4 O1W 73.3(2) . .
O25 Er4 O1W 76.2(2) . .
O4 Er4 O1W 138.6(2) . .
O27 Er4 N5 90.0(2) 3 .
O3 Er4 N5 160.7(2) . .
O14 Er4 N5 77.4(2) . .
O1 Er4 N5 129.2(2) . .
O25 Er4 N5 65.6(2) . .
O4 Er4 N5 107.8(2) . .
O1W Er4 N5 71.2(2) . .
O27 Er4 Er1 152.72(15) 3 .
O3 Er4 Er1 80.09(14) . .
O14 Er4 Er1 124.77(14) . .
O1 Er4 Er1 42.10(14) . .
O25 Er4 Er1 45.80(14) . .
O4 Er4 Er1 41.65(14) . .
O1W Er4 Er1 98.41(16) . .
N5 Er4 Er1 110.54(16) . .
O27 Er4 Er3 114.66(16) 3 .
O3 Er4 Er3 34.92(13) . .
O14 Er4 Er3 73.29(14) . .
O1 Er4 Er3 78.40(14) . .
O25 Er4 Er3 101.21(14) . .
O4 Er4 Er3 35.79(14) . .
O1W Er4 Er3 150.90(16) . .
N5 Er4 Er3 134.80(16) . .
Er1 Er4 Er3 63.253(13) . .
O27 Er4 Er2 94.95(15) 3 .
O3 Er4 Er2 38.44(14) . .
O14 Er4 Er2 121.69(15) . .
O1 Er4 Er2 32.23(14) . .
O25 Er4 Er2 100.76(14) . .
O4 Er4 Er2 76.58(14) . .
O1W Er4 Er2 93.01(16) . .
N5 Er4 Er2 160.86(17) . .
Er1 Er4 Er2 59.874(13) . .
Er3 Er4 Er2 58.614(12) . .
O19 Er5 O5 148.3(2) 1_565 4_566
O19 Er5 O28 136.2(2) 1_565 2
O5 Er5 O28 75.1(2) 4_566 2
O19 Er5 O8 83.7(2) 1_565 .
O5 Er5 O8 71.5(2) 4_566 .
O28 Er5 O8 121.3(2) 2 .
O19 Er5 O12 77.8(2) 1_565 4_576
O5 Er5 O12 117.0(2) 4_566 4_576
O28 Er5 O12 71.6(2) 2 4_576
O8 Er5 O12 82.5(2) . 4_576
O19 Er5 O7 75.1(2) 1_565 .
O5 Er5 O7 77.96(19) 4_566 .
O28 Er5 O7 144.2(2) 2 .
O8 Er5 O7 70.10(19) . .
O12 Er5 O7 143.0(2) 4_576 .
O19 Er5 O15 112.5(2) 1_565 1_565
O5 Er5 O15 71.67(19) 4_566 1_565
O28 Er5 O15 80.8(2) 2 1_565
O8 Er5 O15 128.9(2) . 1_565
O12 Er5 O15 146.6(2) 4_576 1_565
O7 Er5 O15 68.53(19) . 1_565
O19 Er5 N2 74.5(2) 1_565 1_565
O5 Er5 N2 129.7(2) 4_566 1_565
O28 Er5 N2 74.9(2) 2 1_565
O8 Er5 N2 158.1(2) . 1_565
O12 Er5 N2 90.1(2) 4_576 1_565
O7 Er5 N2 106.0(2) . 1_565
O15 Er5 N2 64.4(2) 1_565 1_565
O19 Er5 Er1 116.60(16) 1_565 .
O5 Er5 Er1 41.73(14) 4_566 .
O28 Er5 Er1 103.16(16) 2 .
O8 Er5 Er1 81.65(14) . .
O12 Er5 Er1 157.15(15) 4_576 .
O7 Er5 Er1 41.98(14) . .
O15 Er5 Er1 47.43(13) 1_565 .
N2 Er5 Er1 110.37(16) 1_565 .
O19 Er5 Er2 121.12(16) 1_565 4_566
O5 Er5 Er2 35.29(13) 4_566 4_566
O28 Er5 Er2 92.74(15) 2 4_566
O8 Er5 Er2 37.71(14) . 4_566
O12 Er5 Er2 95.40(15) 4_576 4_566
O7 Er5 Er2 78.07(14) . 4_566
O15 Er5 Er2 104.46(13) 1_565 4_566
N2 Er5 Er2 164.21(16) 1_565 4_566
Er1 Er5 Er2 62.203(14) . 4_566
O19 Er5 Er6 68.29(15) 1_565 .
O5 Er5 Er6 80.14(14) 4_566 .
O28 Er5 Er6 151.85(15) 2 .
O8 Er5 Er6 35.39(13) . .
O12 Er5 Er6 109.18(15) 4_576 .
O7 Er5 Er6 36.67(13) . .
O15 Er5 Er6 104.00(14) 1_565 .
N2 Er5 Er6 132.46(16) 1_565 .
Er1 Er5 Er6 64.684(12) . .
Er2 Er5 Er6 59.128(12) 4_566 .
O22 Er6 O8 143.9(2) 2_655 .
O22 Er6 O7 84.8(3) 2_655 .
O8 Er6 O7 70.99(19) . .
O22 Er6 O20W 77.9(6) 2_655 .
O8 Er6 O20W 104.5(5) . .
O7 Er6 O20W 141.4(4) . .
O22 Er6 O20 124.6(4) 2_655 1_565
O8 Er6 O20 80.6(2) . 1_565
O7 Er6 O20 84.9(2) . 1_565
O20W Er6 O20 133.1(4) . 1_565
O22 Er6 O6 75.8(3) 2_655 4_566
O8 Er6 O6 70.2(2) . 4_566
O7 Er6 O6 67.2(2) . 4_566
O20W Er6 O6 75.2(4) . 4_566
O20 Er6 O6 144.6(2) 1_565 4_566
O22 Er6 O24 134.8(3) 2_655 4_566
O8 Er6 O24 74.8(2) . 4_566
O7 Er6 O24 140.2(2) . 4_566
O20W Er6 O24 67.1(4) . 4_566
O20 Er6 O24 69.7(3) 1_565 4_566
O6 Er6 O24 118.8(2) 4_566 4_566
O22 Er6 N4 67.8(3) 2_655 2_655
O8 Er6 N4 148.2(3) . 2_655
O7 Er6 N4 129.3(3) . 2_655
O20W Er6 N4 74.7(6) . 2_655
O20 Er6 N4 77.9(3) 1_565 2_655
O6 Er6 N4 136.6(3) 4_566 2_655
O24 Er6 N4 75.9(3) 4_566 2_655
O22 Er6 O21W 97.1(7) 2_655 4_566
O8 Er6 O21W 78.2(7) . 4_566
O7 Er6 O21W 127.1(6) . 4_566
O20W Er6 O21W 26.6(6) . 4_566
O20 Er6 O21W 131.2(6) 1_565 4_566
O6 Er6 O21W 62.3(6) 4_566 4_566
O24 Er6 O21W 62.4(5) 4_566 4_566
N4 Er6 O21W 98.9(7) 2_655 4_566
O22 Er6 O10W 58.9(7) 2_655 .
O8 Er6 O10W 128.4(5) . .
O7 Er6 O10W 67.3(4) . .
O20W Er6 O10W 127.0(7) . .
O20 Er6 O10W 66.9(6) 1_565 .
O6 Er6 O10W 117.0(5) 4_566 .
O24 Er6 O10W 124.1(5) 4_566 .
N4 Er6 O10W 62.1(5) 2_655 .
O21W Er6 O10W 152.9(9) 4_566 .
O22 Er6 Er2 112.5(3) 2_655 4_566
O8 Er6 Er2 38.00(15) . 4_566
O7 Er6 Er2 78.82(14) . 4_566
O20W Er6 Er2 76.5(5) . 4_566
O20 Er6 Er2 118.49(17) 1_565 4_566
O6 Er6 Er2 37.43(14) 4_566 4_566
O24 Er6 Er2 86.70(16) 4_566 4_566
N4 Er6 Er2 150.4(3) 2_655 4_566
O21W Er6 Er2 51.6(6) 4_566 4_566
O10W Er6 Er2 145.4(4) . 4_566
O22 Er6 Er5 121.0(3) 2_655 .
O8 Er6 Er5 35.97(13) . .
O7 Er6 Er5 37.02(14) . .
O20W Er6 Er5 136.1(5) . .
O20 Er6 Er5 71.99(15) 1_565 .
O6 Er6 Er5 72.64(14) 4_566 .
O24 Er6 Er5 104.12(16) 4_566 .
N4 Er6 Er5 147.5(3) 2_655 .
O21W Er6 Er5 110.0(7) 4_566 .
O10W Er6 Er5 94.3(5) . .
Er2 Er6 Er5 59.777(13) 4_566 .
Er4 O1W H1A 94(6) . .
Er4 O1W H1B 119(7) . .
H1A O1W H1B 109(6) . .
O21W O20W Er6 86.2(13) 4_566 .
O20W O21W Er6 67.2(12) 4_565 4_565
Er2 O1 Er4 114.9(3) . .
Er2 O1 Er1 105.9(2) . .
Er4 O1 Er1 95.8(2) . .
Er2 O1 H1 112.9 . .
Er4 O1 H1 112.9 . .
Er1 O1 H1 112.9 . .
Er2 O2 Er3 107.4(2) . .
Er2 O2 Er1 103.3(2) . .
Er3 O2 Er1 106.6(2) . .
Er2 O2 H2 112.9 . .
Er3 O2 H2 112.9 . .
Er1 O2 H2 112.9 . .
Er4 O3 Er3 110.5(2) . .
Er4 O3 Er2 107.3(2) . .
Er3 O3 Er2 101.6(2) . .
Er4 O3 H3 112.3 . .
Er3 O3 H3 112.3 . .
Er2 O3 H3 112.3 . .
Er1 O4 Er3 111.1(2) . .
Er1 O4 Er4 94.5(2) . .
Er3 O4 Er4 106.8(2) . .
Er1 O4 H4 114.2 . .
Er3 O4 H4 114.2 . .
Er4 O4 H4 114.2 . .
Er2 O5 Er1 108.3(2) . 4_565
Er2 O5 Er5 108.8(2) . 4_565
Er1 O5 Er5 96.3(2) 4_565 4_565
Er2 O5 H5 114.0 . .
Er1 O5 H5 114.0 4_565 .
Er5 O5 H5 114.0 4_565 .
Er2 O6 Er1 105.7(2) . 4_565
Er2 O6 Er6 103.4(2) . 4_565
Er1 O6 Er6 109.4(2) 4_565 4_565
Er2 O6 H6 112.6 . .
Er1 O6 H6 112.6 4_565 .
Er6 O6 H6 112.6 4_565 .
Er1 O7 Er6 112.4(2) . .
Er1 O7 Er5 94.5(2) . .
Er6 O7 Er5 106.3(2) . .
Er1 O7 H7 113.9 . .
Er6 O7 H7 113.9 . .
Er5 O7 H7 113.9 . .
Er6 O8 Er5 108.6(2) . .
Er6 O8 Er2 105.0(2) . 4_566
Er5 O8 Er2 104.9(2) . 4_566
Er6 O8 H8 112.6 . .
Er5 O8 H8 112.6 . .
Er2 O8 H8 112.6 4_566 .
C1 O9 Er2 97.3(5) . .
C1 O10 Er2 88.7(5) . .
C7 O11 Er3 138.3(6) . 1_565
C7 O12 Er5 142.3(6) . 4_575
C8 O13 Er3 136.2(5) . .
C8 O14 Er4 130.3(5) . .
C14 O15 Er5 124.2(6) . 1_545
C14 O15 Er1 147.3(6) . 1_545
Er5 O15 Er1 88.31(18) 1_545 1_545
C15 O17 Er3 126.8(6) . .
C21 O19 Er5 136.9(6) . 1_545
C21 O20 Er6 128.7(6) . 1_545
C22 O22 Er6 125.6(8) . 2_645
C28 O23 Er3 174.6(7) . .
C28 O24 Er6 141.1(6) . 4_565
C29 O25 Er4 126.4(5) . .
C29 O25 Er1 139.7(5) . .
Er4 O25 Er1 91.50(19) . .
C35 O27 Er4 146.6(5) . 3
C35 O28 Er5 162.4(6) . 2_545
C5 N1 C3 118.5(9) . .
C13 N2 C12 118.3(7) . .
C13 N2 Er5 121.4(5) . 1_545
C12 N2 Er5 119.2(5) . 1_545
C20 N3 C16 117.7(8) . .
C20 N3 Er3 125.0(5) . .
C16 N3 Er3 117.0(6) . .
C27 N4 C23 117.3(10) . .
C27 N4 Er6 129.1(7) . 2_645
C23 N4 Er6 113.3(8) . 2_645
C34 N5 C30 117.3(7) . .
C34 N5 Er4 125.1(5) . .
C30 N5 Er4 115.7(6) . .
O10 C1 O9 121.8(8) . .
O10 C1 C2 120.5(8) . .
O9 C1 C2 117.7(8) . .
O10 C1 Er2 65.3(5) . .
O9 C1 Er2 56.5(4) . .
C2 C1 Er2 173.8(6) . .
C4 C2 C3 120.4(8) . .
C4 C2 C1 118.9(8) . .
C3 C2 C1 120.6(8) . .
C2 C3 N1 120.5(9) . .
C2 C3 H3A 119.7 . .
N1 C3 H3A 119.7 . .
C2 C4 C6 119.8(8) . .
C2 C4 H4A 120.1 . .
C6 C4 H4A 120.1 . .
N1 C5 C6 120.6(8) . .
N1 C5 C7 119.3(8) . .
C6 C5 C7 120.1(8) . .
C4 C6 C5 120.1(8) . .
C4 C6 H6A 119.9 . .
C5 C6 H6A 119.9 . .
O11 C7 O12 127.0(8) . .
O11 C7 C5 117.0(7) . .
O12 C7 C5 116.0(7) . .
O13 C8 O14 125.6(8) . .
O13 C8 C9 116.5(7) . .
O14 C8 C9 117.9(7) . .
C10 C9 C13 118.6(8) . .
C10 C9 C8 124.9(8) . .
C13 C9 C8 116.4(7) . .
C9 C10 C11 119.5(8) . .
C9 C10 H10 120.3 . .
C11 C10 H10 120.3 . .
C12 C11 C10 118.4(8) . .
C12 C11 H11 120.8 . .
C10 C11 H11 120.8 . .
N2 C12 C11 122.1(8) . .
N2 C12 C14 113.4(7) . .
C11 C12 C14 124.5(8) . .
N2 C13 C9 123.0(8) . .
N2 C13 H13 118.5 . .
C9 C13 H13 118.5 . .
O16 C14 O15 126.1(9) . .
O16 C14 C12 119.3(8) . .
O15 C14 C12 114.5(8) . .
O18 C15 O17 126.2(10) . .
O18 C15 C16 118.6(9) . .
O17 C15 C16 115.2(9) . .
N3 C16 C17 122.6(9) . .
N3 C16 C15 113.0(8) . .
C17 C16 C15 124.2(9) . .
C16 C17 C18 118.4(9) . .
C16 C17 H17 120.8 . .
C18 C17 H17 120.8 . .
C19 C18 C17 119.4(9) . .
C19 C18 H18 120.3 . .
C17 C18 H18 120.3 . .
C18 C19 C20 118.5(8) . .
C18 C19 C21 124.9(8) . .
C20 C19 C21 116.4(7) . .
N3 C20 C19 123.3(8) . .
N3 C20 H20 118.4 . .
C19 C20 H20 118.4 . .
O19 C21 O20 126.3(8) . .
O19 C21 C19 114.6(8) . .
O20 C21 C19 119.0(8) . .
O22 C22 O21 127.5(14) . .
O22 C22 C23 115.8(12) . .
O21 C22 C23 116.7(13) . .
N4 C23 C24 122.1(13) . .
N4 C23 C22 115.5(12) . .
C24 C23 C22 122.2(13) . .
C25 C24 C23 118.5(13) . .
C25 C24 H24 120.8 . .
C23 C24 H24 120.8 . .
C24 C25 C26 119.2(11) . .
C24 C25 H25 120.4 . .
C26 C25 H25 120.4 . .
C27 C26 C25 117.4(10) . .
C27 C26 C28 122.0(9) . .
C25 C26 C28 120.4(9) . .
N4 C27 C26 123.6(10) . .
N4 C27 H27 118.2 . .
C26 C27 H27 118.2 . .
O24 C28 O23 126.9(9) . .
O24 C28 C26 116.6(8) . .
O23 C28 C26 116.4(8) . .
O26 C29 O25 126.0(8) . .
O26 C29 C30 118.8(8) . .
O25 C29 C30 115.2(7) . .
N5 C30 C31 123.6(8) . .
N5 C30 C29 115.4(8) . .
C31 C30 C29 121.0(8) . .
C30 C31 C32 118.2(9) . .
C30 C31 H31 120.9 . .
C32 C31 H31 120.9 . .
C33 C32 C31 119.5(9) . .
C33 C32 H32 120.3 . .
C31 C32 H32 120.3 . .
C32 C33 C34 118.3(8) . .
C32 C33 C35 119.5(8) . .
C34 C33 C35 122.2(7) . .
N5 C34 C33 123.1(7) . .
N5 C34 H34 118.4 . .
C33 C34 H34 118.4 . .
O28 C35 O27 126.2(8) . .
O28 C35 C33 117.2(7) . .
O27 C35 C33 116.6(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Er1 O5 2.290(5) 4_566
Er1 O7 2.294(6) .
Er1 O4 2.300(6) .
Er1 O1 2.326(6) .
Er1 O6 2.327(6) 4_566
Er1 O2 2.389(6) .
Er1 O25 2.475(6) .
Er1 O15 2.519(6) 1_565
Er2 O5 2.267(5) .
Er2 O1 2.283(6) .
Er2 O2 2.300(6) .
Er2 O6 2.306(6) .
Er2 O8 2.352(6) 4_565
Er2 O9 2.411(6) .
Er2 O3 2.528(6) .
Er2 O10 2.604(6) .
Er2 C1 2.867(9) .
Er3 O4 2.311(6) .
Er3 O3 2.312(5) .
Er3 O23 2.315(6) .
Er3 O17 2.333(6) .
Er3 O13 2.335(6) .
Er3 O2 2.356(6) .
Er3 O11 2.443(6) 1_545
Er3 N3 2.528(7) .
Er4 O27 2.263(6) 3
Er4 O3 2.292(6) .
Er4 O14 2.315(6) .
Er4 O1 2.324(6) .
Er4 O25 2.341(5) .
Er4 O4 2.400(5) .
Er4 O1W 2.428(6) .
Er4 N5 2.523(7) .
Er5 O19 2.251(6) 1_565
Er5 O5 2.301(6) 4_566
Er5 O28 2.317(6) 2
Er5 O8 2.333(5) .
Er5 O12 2.335(6) 4_576
Er5 O7 2.361(6) .
Er5 O15 2.388(6) 1_565
Er5 N2 2.462(7) 1_565
Er6 O22 2.270(8) 2_655
Er6 O8 2.300(6) .
Er6 O7 2.342(5) .
Er6 O20W 2.374(13) .
Er6 O20 2.378(7) 1_565
Er6 O6 2.394(6) 4_566
Er6 O24 2.403(7) 4_566
Er6 N4 2.493(9) 2_655
Er6 O21W 2.57(2) 4_566
Er6 O10W 2.616(19) .
O1W H1A 0.948(10) .
O1W H1B 0.947(10) .
O20W O21W 1.15(3) 4_566
O21W O20W 1.15(3) 4_565
O21W Er6 2.57(2) 4_565
O1 H1 1.0000 .
O2 H2 1.0000 .
O3 H3 1.0000 .
O4 H4 1.0000 .
O5 Er1 2.290(5) 4_565
O5 Er5 2.301(6) 4_565
O5 H5 1.0000 .
O6 Er1 2.327(6) 4_565
O6 Er6 2.394(6) 4_565
O6 H6 1.0000 .
O7 H7 1.0000 .
O8 Er2 2.351(6) 4_566
O8 H8 1.0000 .
O9 C1 1.275(10) .
O10 C1 1.260(10) .
O11 C7 1.245(10) .
O11 Er3 2.443(6) 1_565
O12 C7 1.252(10) .
O12 Er5 2.335(6) 4_575
O13 C8 1.253(10) .
O14 C8 1.265(10) .
O15 C14 1.269(10) .
O15 Er5 2.388(6) 1_545
O15 Er1 2.519(6) 1_545
O16 C14 1.252(11) .
O17 C15 1.256(12) .
O18 C15 1.239(12) .
O19 C21 1.258(10) .
O19 Er5 2.251(6) 1_545
O20 C21 1.262(11) .
O20 Er6 2.378(7) 1_545
O21 C22 1.253(16) .
O22 C22 1.252(16) .
O22 Er6 2.270(8) 2_645
O23 C28 1.256(11) .
O24 C28 1.254(11) .
O24 Er6 2.403(7) 4_565
O25 C29 1.252(10) .
O26 C29 1.247(10) .
O27 C35 1.259(10) .
O27 Er4 2.263(6) 3
O28 C35 1.239(10) .
O28 Er5 2.317(6) 2_545
N1 C5 1.378(12) .
N1 C3 1.387(13) .
N2 C13 1.338(11) .
N2 C12 1.351(10) .
N2 Er5 2.462(7) 1_545
N3 C20 1.329(11) .
N3 C16 1.358(11) .
N4 C27 1.319(14) .
N4 C23 1.356(16) .
N4 Er6 2.493(9) 2_645
N5 C34 1.342(10) .
N5 C30 1.347(11) .
C1 C2 1.492(12) .
C2 C4 1.366(12) .
C2 C3 1.370(13) .
C3 H3A 0.9500 .
C4 C6 1.370(12) .
C4 H4A 0.9500 .
C5 C6 1.378(12) .
C5 C7 1.534(11) .
C6 H6A 0.9500 .
C8 C9 1.494(12) .
C9 C10 1.374(11) .
C9 C13 1.388(11) .
C10 C11 1.398(13) .
C10 H10 0.9500 .
C11 C12 1.391(12) .
C11 H11 0.9500 .
C12 C14 1.518(13) .
C13 H13 0.9500 .
C15 C16 1.499(14) .
C16 C17 1.382(14) .
C17 C18 1.402(14) .
C17 H17 0.9500 .
C18 C19 1.364(12) .
C18 H18 0.9500 .
C19 C20 1.402(12) .
C19 C21 1.498(12) .
C20 H20 0.9500 .
C22 C23 1.514(19) .
C23 C24 1.380(18) .
C24 C25 1.378(17) .
C24 H24 0.9500 .
C25 C26 1.393(15) .
C25 H25 0.9500 .
C26 C27 1.394(14) .
C26 C28 1.494(13) .
C27 H27 0.9500 .
C29 C30 1.511(12) .
C30 C31 1.377(13) .
C31 C32 1.391(13) .
C31 H31 0.9500 .
C32 C33 1.382(12) .
C32 H32 0.9500 .
C33 C34 1.393(11) .
C33 C35 1.499(11) .
C34 H34 0.9500 .
O13W O14W 1.65(7) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1W H1A N5 0.948(10) 2.22(8) 2.884(10) 126(8) .
O1W H1B O26 0.947(10) 1.97(5) 2.761(9) 140(7) 4_565
O1 H1 O16 1.00 2.30 3.205(10) 150.7 1_565
O2 H2 O22 1.00 1.84 2.765(10) 152.4 2_655
O3 H3 O12 1.00 2.00 2.942(8) 156.0 1_545
O4 H4 O10 1.00 2.01 2.801(8) 134.6 4_566
O5 H5 O26 1.00 1.80 2.767(8) 160.5 4_565
O6 H6 O17 1.00 1.77 2.708(9) 155.3 4_565
O7 H7 O9 1.00 2.11 2.887(8) 133.1 .
O8 H8 O23 1.00 2.04 2.868(9) 138.8 4_566
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
O5 Er1 Er2 O5 -77.6(7) 4_566 .
O7 Er1 Er2 O5 -137.7(2) . .
O4 Er1 Er2 O5 68.4(2) . .
O1 Er1 Er2 O5 -14.7(3) . .
O6 Er1 Er2 O5 154.6(2) 4_566 .
O2 Er1 Er2 O5 135.8(3) . .
O25 Er1 Er2 O5 5.3(2) . .
O15 Er1 Er2 O5 -70.2(2) 1_565 .
Er5 Er1 Er2 O5 -106.03(19) . .
Er4 Er1 Er2 O5 25.73(19) . .
Er2 Er1 Er2 O5 151.74(19) 4_566 .
O5 Er1 Er2 O1 -62.9(6) 4_566 .
O7 Er1 Er2 O1 -123.0(3) . .
O4 Er1 Er2 O1 83.1(3) . .
O6 Er1 Er2 O1 169.2(3) 4_566 .
O2 Er1 Er2 O1 150.5(3) . .
O25 Er1 Er2 O1 19.9(3) . .
O15 Er1 Er2 O1 -55.5(3) 1_565 .
Er5 Er1 Er2 O1 -91.3(2) . .
Er4 Er1 Er2 O1 40.4(2) . .
Er2 Er1 Er2 O1 166.4(2) 4_566 .
O5 Er1 Er2 O2 146.6(6) 4_566 .
O7 Er1 Er2 O2 86.5(3) . .
O4 Er1 Er2 O2 -67.4(3) . .
O1 Er1 Er2 O2 -150.5(3) . .
O6 Er1 Er2 O2 18.7(3) 4_566 .
O25 Er1 Er2 O2 -130.6(3) . .
O15 Er1 Er2 O2 154.0(3) 1_565 .
Er5 Er1 Er2 O2 118.1(2) . .
Er4 Er1 Er2 O2 -110.1(2) . .
Er2 Er1 Er2 O2 15.9(2) 4_566 .
O5 Er1 Er2 O6 51.3(6) 4_566 .
O7 Er1 Er2 O6 -8.8(3) . .
O4 Er1 Er2 O6 -162.7(3) . .
O1 Er1 Er2 O6 114.2(4) . .
O6 Er1 Er2 O6 -76.6(4) 4_566 .
O2 Er1 Er2 O6 -95.3(4) . .
O25 Er1 Er2 O6 134.1(3) . .
O15 Er1 Er2 O6 58.7(3) 1_565 .
Er5 Er1 Er2 O6 22.8(3) . .
Er4 Er1 Er2 O6 154.6(3) . .
Er2 Er1 Er2 O6 -79.4(3) 4_566 .
O5 Er1 Er2 O8 -178.9(6) 4_566 4_565
O7 Er1 Er2 O8 121.0(2) . 4_565
O4 Er1 Er2 O8 -32.9(2) . 4_565
O1 Er1 Er2 O8 -116.0(3) . 4_565
O6 Er1 Er2 O8 53.2(2) 4_566 4_565
O2 Er1 Er2 O8 34.5(3) . 4_565
O25 Er1 Er2 O8 -96.1(2) . 4_565
O15 Er1 Er2 O8 -171.5(2) 1_565 4_565
Er5 Er1 Er2 O8 152.64(18) . 4_565
Er4 Er1 Er2 O8 -75.60(18) . 4_565
Er2 Er1 Er2 O8 50.41(18) 4_566 4_565
O5 Er1 Er2 O9 45.7(6) 4_566 .
O7 Er1 Er2 O9 -14.3(2) . .
O4 Er1 Er2 O9 -168.3(2) . .
O1 Er1 Er2 O9 108.6(3) . .
O6 Er1 Er2 O9 -82.1(2) 4_566 .
O2 Er1 Er2 O9 -100.8(3) . .
O25 Er1 Er2 O9 128.6(2) . .
O15 Er1 Er2 O9 53.1(2) 1_565 .
Er5 Er1 Er2 O9 17.29(17) . .
Er4 Er1 Er2 O9 149.04(17) . .
Er2 Er1 Er2 O9 -84.95(17) 4_566 .
O5 Er1 Er2 O3 -135.8(5) 4_566 .
O7 Er1 Er2 O3 164.09(19) . .
O4 Er1 Er2 O3 10.14(19) . .
O1 Er1 Er2 O3 -72.9(3) . .
O6 Er1 Er2 O3 96.3(2) 4_566 .
O2 Er1 Er2 O3 77.6(3) . .
O25 Er1 Er2 O3 -53.00(19) . .
O15 Er1 Er2 O3 -128.42(19) 1_565 .
Er5 Er1 Er2 O3 -164.28(13) . .
Er4 Er1 Er2 O3 -32.53(13) . .
Er2 Er1 Er2 O3 93.48(13) 4_566 .
O5 Er1 Er2 O10 -2.9(6) 4_566 .
O7 Er1 Er2 O10 -63.0(2) . .
O4 Er1 Er2 O10 143.1(2) . .
O1 Er1 Er2 O10 60.0(3) . .
O6 Er1 Er2 O10 -130.8(2) 4_566 .
O2 Er1 Er2 O10 -149.5(3) . .
O25 Er1 Er2 O10 79.9(2) . .
O15 Er1 Er2 O10 4.5(2) 1_565 .
Er5 Er1 Er2 O10 -31.35(14) . .
Er4 Er1 Er2 O10 100.40(14) . .
Er2 Er1 Er2 O10 -133.59(14) 4_566 .
O5 Er1 Er2 C1 20.5(6) 4_566 .
O7 Er1 Er2 C1 -39.6(2) . .
O4 Er1 Er2 C1 166.5(2) . .
O1 Er1 Er2 C1 83.4(3) . .
O6 Er1 Er2 C1 -107.4(2) 4_566 .
O2 Er1 Er2 C1 -126.1(3) . .
O25 Er1 Er2 C1 103.3(2) . .
O15 Er1 Er2 C1 27.9(2) 1_565 .
Er5 Er1 Er2 C1 -7.97(18) . .
Er4 Er1 Er2 C1 123.78(18) . .
Er2 Er1 Er2 C1 -110.21(18) 4_566 .
O5 Er1 Er2 Er6 127.9(5) 4_566 4_565
O7 Er1 Er2 Er6 67.81(14) . 4_565
O4 Er1 Er2 Er6 -86.14(14) . 4_565
O1 Er1 Er2 Er6 -169.2(2) . 4_565
O6 Er1 Er2 Er6 0.02(16) 4_566 4_565
O2 Er1 Er2 Er6 -18.7(2) . 4_565
O25 Er1 Er2 Er6 -149.28(14) . 4_565
O15 Er1 Er2 Er6 135.29(14) 1_565 4_565
Er5 Er1 Er2 Er6 99.43(3) . 4_565
Er4 Er1 Er2 Er6 -128.81(3) . 4_565
Er2 Er1 Er2 Er6 -2.80(4) 4_566 4_565
O5 Er1 Er2 Er1 -28.6(5) 4_566 4_565
O7 Er1 Er2 Er1 -88.64(14) . 4_565
O4 Er1 Er2 Er1 117.41(14) . 4_565
O1 Er1 Er2 Er1 34.3(2) . 4_565
O6 Er1 Er2 Er1 -156.43(16) 4_566 4_565
O2 Er1 Er2 Er1 -175.1(2) . 4_565
O25 Er1 Er2 Er1 54.27(14) . 4_565
O15 Er1 Er2 Er1 -21.16(14) 1_565 4_565
Er5 Er1 Er2 Er1 -57.02(4) . 4_565
Er4 Er1 Er2 Er1 74.74(3) . 4_565
Er2 Er1 Er2 Er1 -159.25(3) 4_566 4_565
O5 Er2 Er3 O4 -96.2(2) . .
O1 Er2 Er3 O4 -6.7(2) . .
O2 Er2 Er3 O4 70.1(3) . .
O6 Er2 Er3 O4 177.1(3) . .
O8 Er2 Er3 O4 -155.2(2) 4_565 .
O9 Er2 Er3 O4 69.0(2) . .
O3 Er2 Er3 O4 -70.8(3) . .
O10 Er2 Er3 O4 11.6(3) . .
C1 Er2 Er3 O4 49.5(3) . .
Er1 Er2 Er3 O4 28.42(14) . .
Er6 Er2 Er3 O4 179.30(14) 4_565 .
Er1 Er2 Er3 O4 -125.64(14) 4_565 .
O5 Er2 Er3 O3 -25.4(3) . .
O1 Er2 Er3 O3 64.1(3) . .
O2 Er2 Er3 O3 140.8(3) . .
O6 Er2 Er3 O3 -112.1(3) . .
O8 Er2 Er3 O3 -84.4(3) 4_565 .
O9 Er2 Er3 O3 139.8(3) . .
O10 Er2 Er3 O3 82.4(3) . .
C1 Er2 Er3 O3 120.3(3) . .
Er1 Er2 Er3 O3 99.2(2) . .
Er6 Er2 Er3 O3 -109.9(2) 4_565 .
Er1 Er2 Er3 O3 -54.9(2) 4_565 .
O5 Er2 Er3 O23 104.2(2) . .
O1 Er2 Er3 O23 -166.3(2) . .
O2 Er2 Er3 O23 -89.6(3) . .
O6 Er2 Er3 O23 17.5(3) . .
O8 Er2 Er3 O23 45.2(2) 4_565 .
O9 Er2 Er3 O23 -90.6(2) . .
O3 Er2 Er3 O23 129.6(3) . .
O10 Er2 Er3 O23 -148.0(3) . .
C1 Er2 Er3 O23 -110.1(3) . .
Er1 Er2 Er3 O23 -131.20(17) . .
Er6 Er2 Er3 O23 19.68(17) 4_565 .
Er1 Er2 Er3 O23 74.73(17) 4_565 .
O5 Er2 Er3 O17 -174.7(2) . .
O1 Er2 Er3 O17 -85.1(2) . .
O2 Er2 Er3 O17 -8.4(3) . .
O6 Er2 Er3 O17 98.7(3) . .
O8 Er2 Er3 O17 126.4(2) 4_565 .
O9 Er2 Er3 O17 -9.5(3) . .
O3 Er2 Er3 O17 -149.2(3) . .
O10 Er2 Er3 O17 -66.9(3) . .
C1 Er2 Er3 O17 -28.9(3) . .
Er1 Er2 Er3 O17 -50.03(19) . .
Er6 Er2 Er3 O17 100.85(19) 4_565 .
Er1 Er2 Er3 O17 155.90(19) 4_565 .
O5 Er2 Er3 O13 -32.8(2) . .
O1 Er2 Er3 O13 56.7(2) . .
O2 Er2 Er3 O13 133.5(3) . .
O6 Er2 Er3 O13 -119.5(3) . .
O8 Er2 Er3 O13 -91.8(2) 4_565 .
O9 Er2 Er3 O13 132.4(3) . .
O3 Er2 Er3 O13 -7.4(3) . .
O10 Er2 Er3 O13 75.0(3) . .
C1 Er2 Er3 O13 112.9(3) . .
Er1 Er2 Er3 O13 91.84(19) . .
Er6 Er2 Er3 O13 -117.29(19) 4_565 .
Er1 Er2 Er3 O13 -62.23(19) 4_565 .
O5 Er2 Er3 O2 -166.3(3) . .
O1 Er2 Er3 O2 -76.7(3) . .
O6 Er2 Er3 O2 107.0(3) . .
O8 Er2 Er3 O2 134.8(3) 4_565 .
O9 Er2 Er3 O2 -1.1(3) . .
O3 Er2 Er3 O2 -140.8(3) . .
O10 Er2 Er3 O2 -58.5(4) . .
C1 Er2 Er3 O2 -20.5(3) . .
Er1 Er2 Er3 O2 -41.6(2) . .
Er6 Er2 Er3 O2 109.2(2) 4_565 .
Er1 Er2 Er3 O2 164.3(2) 4_565 .
O5 Er2 Er3 O11 38.9(2) . 1_545
O1 Er2 Er3 O11 128.4(2) . 1_545
O2 Er2 Er3 O11 -154.9(3) . 1_545
O6 Er2 Er3 O11 -47.8(3) . 1_545
O8 Er2 Er3 O11 -20.1(2) 4_565 1_545
O9 Er2 Er3 O11 -155.9(2) . 1_545
O3 Er2 Er3 O11 64.3(3) . 1_545
O10 Er2 Er3 O11 146.7(3) . 1_545
C1 Er2 Er3 O11 -175.4(3) . 1_545
Er1 Er2 Er3 O11 163.49(15) . 1_545
Er6 Er2 Er3 O11 -45.64(15) 4_565 1_545
Er1 Er2 Er3 O11 9.42(16) 4_565 1_545
O5 Er2 Er3 N3 110.8(4) . .
O1 Er2 Er3 N3 -159.6(4) . .
O2 Er2 Er3 N3 -82.9(5) . .
O6 Er2 Er3 N3 24.2(5) . .
O8 Er2 Er3 N3 51.9(4) 4_565 .
O9 Er2 Er3 N3 -84.0(4) . .
O3 Er2 Er3 N3 136.3(5) . .
O10 Er2 Er3 N3 -141.4(5) . .
C1 Er2 Er3 N3 -103.4(5) . .
Er1 Er2 Er3 N3 -124.5(4) . .
Er6 Er2 Er3 N3 26.3(4) 4_565 .
Er1 Er2 Er3 N3 81.4(4) 4_565 .
O5 Er2 Er3 Er4 -61.50(15) . .
O1 Er2 Er3 Er4 28.02(15) . .
O2 Er2 Er3 Er4 104.8(2) . .
O6 Er2 Er3 Er4 -148.2(2) . .
O8 Er2 Er3 Er4 -120.48(14) 4_565 .
O9 Er2 Er3 Er4 103.69(17) . .
O3 Er2 Er3 Er4 -36.1(2) . .
O10 Er2 Er3 Er4 46.3(3) . .
C1 Er2 Er3 Er4 84.2(3) . .
Er1 Er2 Er3 Er4 63.131(12) . .
Er6 Er2 Er3 Er4 -145.996(13) 4_565 .
Er1 Er2 Er3 Er4 -90.94(2) 4_565 .
O5 Er2 Er3 Er1 -124.63(15) . .
O1 Er2 Er3 Er1 -35.11(15) . .
O2 Er2 Er3 Er1 41.6(2) . .
O6 Er2 Er3 Er1 148.7(2) . .
O8 Er2 Er3 Er1 176.39(14) 4_565 .
O9 Er2 Er3 Er1 40.56(17) . .
O3 Er2 Er3 Er1 -99.2(2) . .
O10 Er2 Er3 Er1 -16.8(3) . .
C1 Er2 Er3 Er1 21.1(3) . .
Er6 Er2 Er3 Er1 150.873(14) 4_565 .
Er1 Er2 Er3 Er1 -154.07(3) 4_565 .
O5 Er1 Er3 O4 54.3(3) 4_566 .
O7 Er1 Er3 O4 162.8(3) . .
O1 Er1 Er3 O4 -89.1(3) . .
O6 Er1 Er3 O4 104.9(3) 4_566 .
O2 Er1 Er3 O4 -163.9(3) . .
O25 Er1 Er3 O4 -22.6(3) . .
O15 Er1 Er3 O4 -94.1(4) 1_565 .
Er5 Er1 Er3 O4 124.3(2) . .
Er4 Er1 Er3 O4 -47.2(2) . .
Er2 Er1 Er3 O4 -123.7(2) . .
Er2 Er1 Er3 O4 76.6(2) 4_566 .
O5 Er1 Er3 O3 134.8(2) 4_566 .
O7 Er1 Er3 O3 -116.7(2) . .
O4 Er1 Er3 O3 80.6(3) . .
O1 Er1 Er3 O3 -8.6(2) . .
O6 Er1 Er3 O3 -174.5(2) 4_566 .
O2 Er1 Er3 O3 -83.3(3) . .
O25 Er1 Er3 O3 58.0(2) . .
O15 Er1 Er3 O3 -13.6(3) 1_565 .
Er5 Er1 Er3 O3 -155.19(15) . .
Er4 Er1 Er3 O3 33.36(14) . .
Er2 Er1 Er3 O3 -43.15(14) . .
Er2 Er1 Er3 O3 157.12(14) 4_566 .
O5 Er1 Er3 O23 -130.1(3) 4_566 .
O7 Er1 Er3 O23 -21.6(2) . .
O4 Er1 Er3 O23 175.7(3) . .
O1 Er1 Er3 O23 86.5(2) . .
O6 Er1 Er3 O23 -79.4(2) 4_566 .
O2 Er1 Er3 O23 11.8(3) . .
O25 Er1 Er3 O23 153.1(2) . .
O15 Er1 Er3 O23 81.6(4) 1_565 .
Er5 Er1 Er3 O23 -60.08(18) . .
Er4 Er1 Er3 O23 128.47(18) . .
Er2 Er1 Er3 O23 51.96(18) . .
Er2 Er1 Er3 O23 -107.77(18) 4_566 .
O5 Er1 Er3 O17 -50.1(3) 4_566 .
O7 Er1 Er3 O17 58.4(2) . .
O4 Er1 Er3 O17 -104.4(3) . .
O1 Er1 Er3 O17 166.5(2) . .
O6 Er1 Er3 O17 0.5(2) 4_566 .
O2 Er1 Er3 O17 91.7(3) . .
O25 Er1 Er3 O17 -127.0(2) . .
O15 Er1 Er3 O17 161.5(4) 1_565 .
Er5 Er1 Er3 O17 19.85(19) . .
Er4 Er1 Er3 O17 -151.59(19) . .
Er2 Er1 Er3 O17 131.89(19) . .
Er2 Er1 Er3 O17 -27.83(19) 4_566 .
O5 Er1 Er3 O13 59.3(2) 4_566 .
O7 Er1 Er3 O13 167.8(2) . .
O4 Er1 Er3 O13 5.0(3) . .
O1 Er1 Er3 O13 -84.1(2) . .
O6 Er1 Er3 O13 110.0(2) 4_566 .
O2 Er1 Er3 O13 -158.9(3) . .
O25 Er1 Er3 O13 -17.5(2) . .
O15 Er1 Er3 O13 -89.1(3) 1_565 .
Er5 Er1 Er3 O13 129.29(16) . .
Er4 Er1 Er3 O13 -42.15(16) . .
Er2 Er1 Er3 O13 -118.67(16) . .
Er2 Er1 Er3 O13 81.61(16) 4_566 .
O5 Er1 Er3 O2 -141.8(3) 4_566 .
O7 Er1 Er3 O2 -33.3(3) . .
O4 Er1 Er3 O2 163.9(3) . .
O1 Er1 Er3 O2 74.8(3) . .
O6 Er1 Er3 O2 -91.2(3) 4_566 .
O25 Er1 Er3 O2 141.3(3) . .
O15 Er1 Er3 O2 69.8(4) 1_565 .
Er5 Er1 Er3 O2 -71.9(2) . .
Er4 Er1 Er3 O2 116.7(2) . .
Er2 Er1 Er3 O2 40.2(2) . .
Er2 Er1 Er3 O2 -119.5(2) 4_566 .
O5 Er1 Er3 O11 143.3(4) 4_566 1_545
O7 Er1 Er3 O11 -108.1(4) . 1_545
O4 Er1 Er3 O11 89.1(4) . 1_545
O1 Er1 Er3 O11 0.0(3) . 1_545
O6 Er1 Er3 O11 -166.0(3) 4_566 1_545
O2 Er1 Er3 O11 -74.8(4) . 1_545
O25 Er1 Er3 O11 66.5(3) . 1_545
O15 Er1 Er3 O11 -5.0(4) 1_565 1_545
Er5 Er1 Er3 O11 -146.7(3) . 1_545
Er4 Er1 Er3 O11 41.9(3) . 1_545
Er2 Er1 Er3 O11 -34.6(3) . 1_545
Er2 Er1 Er3 O11 165.6(3) 4_566 1_545
O5 Er1 Er3 N3 -26.5(3) 4_566 .
O7 Er1 Er3 N3 82.0(3) . .
O4 Er1 Er3 N3 -80.8(3) . .
O1 Er1 Er3 N3 -169.9(3) . .
O6 Er1 Er3 N3 24.2(3) 4_566 .
O2 Er1 Er3 N3 115.3(3) . .
O25 Er1 Er3 N3 -103.3(3) . .
O15 Er1 Er3 N3 -174.9(4) 1_565 .
Er5 Er1 Er3 N3 43.5(2) . .
Er4 Er1 Er3 N3 -128.0(2) . .
Er2 Er1 Er3 N3 155.5(2) . .
Er2 Er1 Er3 N3 -4.2(2) 4_566 .
O5 Er1 Er3 Er2 177.98(19) 4_566 .
O7 Er1 Er3 Er2 -73.51(16) . .
O4 Er1 Er3 Er2 123.7(2) . .
O1 Er1 Er3 Er2 34.59(15) . .
O6 Er1 Er3 Er2 -131.35(14) 4_566 .
O2 Er1 Er3 Er2 -40.2(2) . .
O25 Er1 Er3 Er2 101.14(13) . .
O15 Er1 Er3 Er2 29.6(3) 1_565 .
Er5 Er1 Er3 Er2 -112.04(4) . .
Er4 Er1 Er3 Er2 76.514(14) . .
Er2 Er1 Er3 Er2 -159.724(16) 4_566 .
O5 Er1 Er3 Er4 101.47(19) 4_566 .
O7 Er1 Er3 Er4 -150.02(16) . .
O4 Er1 Er3 Er4 47.2(2) . .
O1 Er1 Er3 Er4 -41.93(15) . .
O6 Er1 Er3 Er4 152.14(14) 4_566 .
O2 Er1 Er3 Er4 -116.7(2) . .
O25 Er1 Er3 Er4 24.62(13) . .
O15 Er1 Er3 Er4 -46.9(3) 1_565 .
Er5 Er1 Er3 Er4 171.45(4) . .
Er2 Er1 Er3 Er4 -76.514(14) . .
Er2 Er1 Er3 Er4 123.761(15) 4_566 .
O5 Er1 Er4 O27 138.9(4) 4_566 3
O7 Er1 Er4 O27 15.2(5) . 3
O4 Er1 Er4 O27 -129.3(4) . 3
O1 Er1 Er4 O27 10.4(4) . 3
O6 Er1 Er4 O27 -132.5(4) 4_566 3
O2 Er1 Er4 O27 -60.0(4) . 3
O25 Er1 Er4 O27 125.1(4) . 3
O15 Er1 Er4 O27 68.1(4) 1_565 3
Er5 Er1 Er4 O27 91.9(3) . 3
Er2 Er1 Er4 O27 -24.8(3) . 3
Er2 Er1 Er4 O27 179.5(3) 4_566 3
O5 Er1 Er4 O3 -161.1(2) 4_566 .
O7 Er1 Er4 O3 75.1(3) . .
O4 Er1 Er4 O3 -69.3(2) . .
O1 Er1 Er4 O3 70.4(3) . .
O6 Er1 Er4 O3 -72.5(2) 4_566 .
O2 Er1 Er4 O3 -0.07(19) . .
O25 Er1 Er4 O3 -175.0(2) . .
O15 Er1 Er4 O3 128.04(19) 1_565 .
Er5 Er1 Er4 O3 151.85(14) . .
Er2 Er1 Er4 O3 35.13(14) . .
Er2 Er1 Er4 O3 -120.56(14) 4_566 .
O5 Er1 Er4 O14 -86.6(2) 4_566 .
O7 Er1 Er4 O14 149.7(4) . .
O4 Er1 Er4 O14 5.3(3) . .
O1 Er1 Er4 O14 144.9(3) . .
O6 Er1 Er4 O14 2.0(3) 4_566 .
O2 Er1 Er4 O14 74.5(2) . .
O25 Er1 Er4 O14 -100.4(3) . .
O15 Er1 Er4 O14 -157.4(2) 1_565 .
Er5 Er1 Er4 O14 -133.62(19) . .
Er2 Er1 Er4 O14 109.66(19) . .
Er2 Er1 Er4 O14 -46.02(19) 4_566 .
O5 Er1 Er4 O1 128.5(3) 4_566 .
O7 Er1 Er4 O1 4.8(4) . .
O4 Er1 Er4 O1 -139.7(3) . .
O6 Er1 Er4 O1 -142.9(3) 4_566 .
O2 Er1 Er4 O1 -70.5(3) . .
O25 Er1 Er4 O1 114.7(3) . .
O15 Er1 Er4 O1 57.7(3) 1_565 .
Er5 Er1 Er4 O1 81.5(2) . .
Er2 Er1 Er4 O1 -35.3(2) . .
Er2 Er1 Er4 O1 169.1(2) 4_566 .
O5 Er1 Er4 O25 13.8(3) 4_566 .
O7 Er1 Er4 O25 -109.9(4) . .
O4 Er1 Er4 O25 105.7(3) . .
O1 Er1 Er4 O25 -114.7(3) . .
O6 Er1 Er4 O25 102.4(3) 4_566 .
O2 Er1 Er4 O25 174.9(2) . .
O15 Er1 Er4 O25 -57.0(2) 1_565 .
Er5 Er1 Er4 O25 -33.2(2) . .
Er2 Er1 Er4 O25 -149.9(2) . .
Er2 Er1 Er4 O25 54.4(2) 4_566 .
O5 Er1 Er4 O4 -91.8(3) 4_566 .
O7 Er1 Er4 O4 144.4(4) . .
O1 Er1 Er4 O4 139.7(3) . .
O6 Er1 Er4 O4 -3.2(3) 4_566 .
O2 Er1 Er4 O4 69.2(2) . .
O25 Er1 Er4 O4 -105.7(3) . .
O15 Er1 Er4 O4 -162.7(2) 1_565 .
Er5 Er1 Er4 O4 -138.9(2) . .
Er2 Er1 Er4 O4 104.4(2) . .
Er2 Er1 Er4 O4 -51.3(2) 4_566 .
O5 Er1 Er4 O1W 75.1(2) 4_566 .
O7 Er1 Er4 O1W -48.6(4) . .
O4 Er1 Er4 O1W 167.0(3) . .
O1 Er1 Er4 O1W -53.3(3) . .
O6 Er1 Er4 O1W 163.8(2) 4_566 .
O2 Er1 Er4 O1W -123.8(2) . .
O25 Er1 Er4 O1W 61.3(3) . .
O15 Er1 Er4 O1W 4.3(2) 1_565 .
Er5 Er1 Er4 O1W 28.13(15) . .
Er2 Er1 Er4 O1W -88.60(15) . .
Er2 Er1 Er4 O1W 115.72(15) 4_566 .
O5 Er1 Er4 N5 2.1(2) 4_566 .
O7 Er1 Er4 N5 -121.6(4) . .
O4 Er1 Er4 N5 94.0(3) . .
O1 Er1 Er4 N5 -126.4(3) . .
O6 Er1 Er4 N5 90.7(3) 4_566 .
O2 Er1 Er4 N5 163.2(2) . .
O25 Er1 Er4 N5 -11.7(3) . .
O15 Er1 Er4 N5 -68.7(2) 1_565 .
Er5 Er1 Er4 N5 -44.90(17) . .
Er2 Er1 Er4 N5 -161.62(17) . .
Er2 Er1 Er4 N5 42.70(17) 4_566 .
O5 Er1 Er4 Er3 -128.70(16) 4_566 .
O7 Er1 Er4 Er3 107.6(3) . .
O4 Er1 Er4 Er3 -36.9(2) . .
O1 Er1 Er4 Er3 102.8(2) . .
O6 Er1 Er4 Er3 -40.1(2) 4_566 .
O2 Er1 Er4 Er3 32.35(14) . .
O25 Er1 Er4 Er3 -142.5(2) . .
O15 Er1 Er4 Er3 160.47(13) 1_565 .
Er5 Er1 Er4 Er3 -175.72(2) . .
Er2 Er1 Er4 Er3 67.553(12) . .
Er2 Er1 Er4 Er3 -88.130(18) 4_566 .
O5 Er1 Er4 Er2 163.74(16) 4_566 .
O7 Er1 Er4 Er2 40.0(3) . .
O4 Er1 Er4 Er2 -104.4(2) . .
O1 Er1 Er4 Er2 35.3(2) . .
O6 Er1 Er4 Er2 -107.6(2) 4_566 .
O2 Er1 Er4 Er2 -35.20(14) . .
O25 Er1 Er4 Er2 149.9(2) . .
O15 Er1 Er4 Er2 92.92(13) 1_565 .
Er5 Er1 Er4 Er2 116.72(2) . .
Er2 Er1 Er4 Er2 -155.683(18) 4_566 .
O4 Er3 Er4 O27 -167.3(3) . 3
O3 Er3 Er4 O27 37.1(3) . 3
O23 Er3 Er4 O27 61.0(3) . 3
O17 Er3 Er4 O27 -178.7(3) . 3
O13 Er3 Er4 O27 -74.0(2) . 3
O2 Er3 Er4 O27 116.0(2) . 3
O11 Er3 Er4 O27 -10.4(2) 1_545 3
N3 Er3 Er4 O27 -95.3(3) . 3
Er2 Er3 Er4 O27 80.29(17) . 3
Er1 Er3 Er4 O27 149.74(17) . 3
O4 Er3 Er4 O3 155.6(3) . .
O23 Er3 Er4 O3 23.9(3) . .
O17 Er3 Er4 O3 144.2(3) . .
O13 Er3 Er4 O3 -111.1(3) . .
O2 Er3 Er4 O3 78.9(3) . .
O11 Er3 Er4 O3 -47.5(3) 1_545 .
N3 Er3 Er4 O3 -132.4(3) . .
Er2 Er3 Er4 O3 43.2(2) . .
Er1 Er3 Er4 O3 112.7(2) . .
O4 Er3 Er4 O14 -101.9(3) . .
O3 Er3 Er4 O14 102.4(3) . .
O23 Er3 Er4 O14 126.3(3) . .
O17 Er3 Er4 O14 -113.4(3) . .
O13 Er3 Er4 O14 -8.6(2) . .
O2 Er3 Er4 O14 -178.6(2) . .
O11 Er3 Er4 O14 54.9(2) 1_545 .
N3 Er3 Er4 O14 -29.9(3) . .
Er2 Er3 Er4 O14 145.64(16) . .
Er1 Er3 Er4 O14 -144.90(16) . .
O4 Er3 Er4 O1 84.8(3) . .
O3 Er3 Er4 O1 -70.8(3) . .
O23 Er3 Er4 O1 -46.9(3) . .
O17 Er3 Er4 O1 73.4(2) . .
O13 Er3 Er4 O1 178.1(2) . .
O2 Er3 Er4 O1 8.1(2) . .
O11 Er3 Er4 O1 -118.3(2) 1_545 .
N3 Er3 Er4 O1 156.8(3) . .
Er2 Er3 Er4 O1 -27.59(14) . .
Er1 Er3 Er4 O1 41.87(14) . .
O4 Er3 Er4 O25 16.6(3) . .
O3 Er3 Er4 O25 -139.1(3) . .
O23 Er3 Er4 O25 -115.2(3) . .
O17 Er3 Er4 O25 5.1(2) . .
O13 Er3 Er4 O25 109.9(2) . .
O2 Er3 Er4 O25 -60.1(2) . .
O11 Er3 Er4 O25 173.4(2) 1_545 .
N3 Er3 Er4 O25 88.6(3) . .
Er2 Er3 Er4 O25 -95.86(15) . .
Er1 Er3 Er4 O25 -26.40(15) . .
O3 Er3 Er4 O4 -155.6(3) . .
O23 Er3 Er4 O4 -131.7(3) . .
O17 Er3 Er4 O4 -11.4(3) . .
O13 Er3 Er4 O4 93.3(3) . .
O2 Er3 Er4 O4 -76.7(3) . .
O11 Er3 Er4 O4 156.9(3) 1_545 .
N3 Er3 Er4 O4 72.0(3) . .
Er2 Er3 Er4 O4 -112.4(2) . .
Er1 Er3 Er4 O4 -43.0(2) . .
O4 Er3 Er4 O1W 98.3(4) . .
O3 Er3 Er4 O1W -57.3(4) . .
O23 Er3 Er4 O1W -33.4(4) . .
O17 Er3 Er4 O1W 86.9(4) . .
O13 Er3 Er4 O1W -168.4(4) . .
O2 Er3 Er4 O1W 21.6(3) . .
O11 Er3 Er4 O1W -104.8(4) 1_545 .
N3 Er3 Er4 O1W 170.3(4) . .
Er2 Er3 Er4 O1W -14.1(3) . .
Er1 Er3 Er4 O1W 55.3(3) . .
O4 Er3 Er4 N5 -50.1(3) . .
O3 Er3 Er4 N5 154.3(3) . .
O23 Er3 Er4 N5 178.2(3) . .
O17 Er3 Er4 N5 -61.5(3) . .
O13 Er3 Er4 N5 43.2(3) . .
O2 Er3 Er4 N5 -126.8(3) . .
O11 Er3 Er4 N5 106.8(3) 1_545 .
N3 Er3 Er4 N5 21.9(3) . .
Er2 Er3 Er4 N5 -162.5(2) . .
Er1 Er3 Er4 N5 -93.1(2) . .
O4 Er3 Er4 Er1 43.0(2) . .
O3 Er3 Er4 Er1 -112.7(2) . .
O23 Er3 Er4 Er1 -88.8(2) . .
O17 Er3 Er4 Er1 31.5(2) . .
O13 Er3 Er4 Er1 136.28(17) . .
O2 Er3 Er4 Er1 -33.74(15) . .
O11 Er3 Er4 Er1 -160.16(16) 1_545 .
N3 Er3 Er4 Er1 115.0(2) . .
Er2 Er3 Er4 Er1 -69.457(14) . .
O4 Er3 Er4 Er2 112.4(2) . .
O3 Er3 Er4 Er2 -43.2(2) . .
O23 Er3 Er4 Er2 -19.3(2) . .
O17 Er3 Er4 Er2 101.0(2) . .
O13 Er3 Er4 Er2 -154.26(17) . .
O2 Er3 Er4 Er2 35.72(15) . .
O11 Er3 Er4 Er2 -90.71(16) 1_545 .
N3 Er3 Er4 Er2 -175.6(2) . .
Er1 Er3 Er4 Er2 69.457(14) . .
O5 Er2 Er4 O27 8.6(2) . 3
O1 Er2 Er4 O27 122.3(3) . 3
O2 Er2 Er4 O27 -153.0(2) . 3
O6 Er2 Er4 O27 15.3(3) . 3
O8 Er2 Er4 O27 -59.7(2) 4_565 3
O9 Er2 Er4 O27 138.0(2) . 3
O3 Er2 Er4 O27 -76.9(3) . 3
O10 Er2 Er4 O27 85.9(2) . 3
C1 Er2 Er4 O27 110.6(2) . 3
Er1 Er2 Er4 O27 168.85(16) . 3
Er6 Er2 Er4 O27 -55.43(16) 4_565 3
Er1 Er2 Er4 O27 20.21(16) 4_565 3
O5 Er2 Er4 O3 85.4(3) . .
O1 Er2 Er4 O3 -160.8(3) . .
O2 Er2 Er4 O3 -76.1(3) . .
O6 Er2 Er4 O3 92.1(4) . .
O8 Er2 Er4 O3 17.2(3) 4_565 .
O9 Er2 Er4 O3 -145.2(3) . .
O10 Er2 Er4 O3 162.8(3) . .
C1 Er2 Er4 O3 -172.5(3) . .
Er1 Er2 Er4 O3 -114.3(2) . .
Er6 Er2 Er4 O3 21.4(2) 4_565 .
Er1 Er2 Er4 O3 97.1(2) 4_565 .
O5 Er2 Er4 O14 85.1(2) . .
O1 Er2 Er4 O14 -161.2(3) . .
O2 Er2 Er4 O14 -76.5(2) . .
O6 Er2 Er4 O14 91.8(3) . .
O8 Er2 Er4 O14 16.9(2) 4_565 .
O9 Er2 Er4 O14 -145.5(2) . .
O3 Er2 Er4 O14 -0.4(3) . .
O10 Er2 Er4 O14 162.4(2) . .
C1 Er2 Er4 O14 -172.9(2) . .
Er1 Er2 Er4 O14 -114.63(17) . .
Er6 Er2 Er4 O14 21.08(17) 4_565 .
Er1 Er2 Er4 O14 96.73(17) 4_565 .
O5 Er2 Er4 O1 -113.8(3) . .
O2 Er2 Er4 O1 84.7(3) . .
O6 Er2 Er4 O1 -107.1(4) . .
O8 Er2 Er4 O1 178.0(3) 4_565 .
O9 Er2 Er4 O1 15.6(3) . .
O3 Er2 Er4 O1 160.8(3) . .
O10 Er2 Er4 O1 -36.4(3) . .
C1 Er2 Er4 O1 -11.7(3) . .
Er1 Er2 Er4 O1 46.5(3) . .
Er6 Er2 Er4 O1 -177.8(3) 4_565 .
Er1 Er2 Er4 O1 -102.1(3) 4_565 .
O5 Er2 Er4 O25 -138.8(2) . .
O1 Er2 Er4 O25 -25.1(3) . .
O2 Er2 Er4 O25 59.6(2) . .
O6 Er2 Er4 O25 -132.1(3) . .
O8 Er2 Er4 O25 152.9(2) 4_565 .
O9 Er2 Er4 O25 -9.4(2) . .
O3 Er2 Er4 O25 135.7(3) . .
O10 Er2 Er4 O25 -61.5(2) . .
C1 Er2 Er4 O25 -36.8(2) . .
Er1 Er2 Er4 O25 21.46(14) . .
Er6 Er2 Er4 O25 157.17(14) 4_565 .
Er1 Er2 Er4 O25 -127.19(14) 4_565 .
O5 Er2 Er4 O4 158.3(2) . .
O1 Er2 Er4 O4 -88.0(3) . .
O2 Er2 Er4 O4 -3.3(2) . .
O6 Er2 Er4 O4 165.0(3) . .
O8 Er2 Er4 O4 90.1(2) 4_565 .
O9 Er2 Er4 O4 -72.3(2) . .
O3 Er2 Er4 O4 72.8(3) . .
O10 Er2 Er4 O4 -124.4(2) . .
C1 Er2 Er4 O4 -99.7(2) . .
Er1 Er2 Er4 O4 -41.43(14) . .
Er6 Er2 Er4 O4 94.28(15) 4_565 .
Er1 Er2 Er4 O4 169.92(14) 4_565 .
O5 Er2 Er4 O1W -62.3(2) . .
O1 Er2 Er4 O1W 51.5(3) . .
O2 Er2 Er4 O1W 136.1(2) . .
O6 Er2 Er4 O1W -55.6(3) . .
O8 Er2 Er4 O1W -130.5(2) 4_565 .
O9 Er2 Er4 O1W 67.1(2) . .
O3 Er2 Er4 O1W -147.8(3) . .
O10 Er2 Er4 O1W 15.1(2) . .
C1 Er2 Er4 O1W 39.7(2) . .
Er1 Er2 Er4 O1W 97.98(16) . .
Er6 Er2 Er4 O1W -126.31(16) 4_565 .
Er1 Er2 Er4 O1W -50.67(16) 4_565 .
O5 Er2 Er4 N5 -96.0(5) . .
O1 Er2 Er4 N5 17.7(5) . .
O2 Er2 Er4 N5 102.4(5) . .
O6 Er2 Er4 N5 -89.3(6) . .
O8 Er2 Er4 N5 -164.3(5) 4_565 .
O9 Er2 Er4 N5 33.4(5) . .
O3 Er2 Er4 N5 178.5(5) . .
O10 Er2 Er4 N5 -18.7(5) . .
C1 Er2 Er4 N5 6.0(5) . .
Er1 Er2 Er4 N5 64.2(5) . .
Er6 Er2 Er4 N5 -160.0(5) 4_565 .
Er1 Er2 Er4 N5 -84.4(5) 4_565 .
O5 Er2 Er4 Er1 -160.29(14) . .
O1 Er2 Er4 Er1 -46.5(3) . .
O2 Er2 Er4 Er1 38.14(15) . .
O6 Er2 Er4 Er1 -153.6(3) . .
O8 Er2 Er4 Er1 131.49(14) 4_565 .
O9 Er2 Er4 Er1 -30.89(16) . .
O3 Er2 Er4 Er1 114.3(2) . .
O10 Er2 Er4 Er1 -82.92(14) . .
C1 Er2 Er4 Er1 -58.24(18) . .
Er6 Er2 Er4 Er1 135.71(2) 4_565 .
Er1 Er2 Er4 Er1 -148.645(14) 4_565 .
O5 Er2 Er4 Er3 124.51(14) . .
O1 Er2 Er4 Er3 -121.7(3) . .
O2 Er2 Er4 Er3 -37.06(15) . .
O6 Er2 Er4 Er3 131.2(3) . .
O8 Er2 Er4 Er3 56.29(14) 4_565 .
O9 Er2 Er4 Er3 -106.08(16) . .
O3 Er2 Er4 Er3 39.1(2) . .
O10 Er2 Er4 Er3 -158.12(14) . .
C1 Er2 Er4 Er3 -133.44(18) . .
Er1 Er2 Er4 Er3 -75.196(15) . .
Er6 Er2 Er4 Er3 60.52(2) 4_565 .
Er1 Er2 Er4 Er3 136.159(16) 4_565 .
O5 Er1 Er5 O19 150.2(3) 4_566 1_565
O7 Er1 Er5 O19 9.2(3) . 1_565
O4 Er1 Er5 O19 151.5(3) . 1_565
O1 Er1 Er5 O19 -83.0(2) . 1_565
O6 Er1 Er5 O19 78.6(2) 4_566 1_565
O2 Er1 Er5 O19 7.8(3) . 1_565
O25 Er1 Er5 O19 -153.9(2) . 1_565
O15 Er1 Er5 O19 -96.9(3) 1_565 1_565
Er4 Er1 Er5 O19 -131.88(18) . 1_565
Er2 Er1 Er5 O19 -40.31(18) . 1_565
Er2 Er1 Er5 O19 112.91(18) 4_566 1_565
O7 Er1 Er5 O5 -141.0(3) . 4_566
O4 Er1 Er5 O5 1.3(4) . 4_566
O1 Er1 Er5 O5 126.8(3) . 4_566
O6 Er1 Er5 O5 -71.6(2) 4_566 4_566
O2 Er1 Er5 O5 -142.4(3) . 4_566
O25 Er1 Er5 O5 55.8(2) . 4_566
O15 Er1 Er5 O5 112.8(3) 1_565 4_566
Er4 Er1 Er5 O5 77.9(2) . 4_566
Er2 Er1 Er5 O5 169.5(2) . 4_566
Er2 Er1 Er5 O5 -37.3(2) 4_566 4_566
O5 Er1 Er5 O28 -48.8(3) 4_566 2
O7 Er1 Er5 O28 170.2(3) . 2
O4 Er1 Er5 O28 -47.5(3) . 2
O1 Er1 Er5 O28 78.0(2) . 2
O6 Er1 Er5 O28 -120.4(2) 4_566 2
O2 Er1 Er5 O28 168.8(2) . 2
O25 Er1 Er5 O28 7.0(2) . 2
O15 Er1 Er5 O28 64.1(2) 1_565 2
Er4 Er1 Er5 O28 29.09(16) . 2
Er2 Er1 Er5 O28 120.66(16) . 2
Er2 Er1 Er5 O28 -86.11(16) 4_566 2
O5 Er1 Er5 O8 71.6(2) 4_566 .
O7 Er1 Er5 O8 -69.4(2) . .
O4 Er1 Er5 O8 72.9(3) . .
O1 Er1 Er5 O8 -161.7(2) . .
O6 Er1 Er5 O8 -0.1(2) 4_566 .
O2 Er1 Er5 O8 -70.9(2) . .
O25 Er1 Er5 O8 127.40(19) . .
O15 Er1 Er5 O8 -175.6(2) 1_565 .
Er4 Er1 Er5 O8 149.46(14) . .
Er2 Er1 Er5 O8 -118.96(14) . .
Er2 Er1 Er5 O8 34.26(14) 4_566 .
O5 Er1 Er5 O12 25.0(4) 4_566 4_576
O7 Er1 Er5 O12 -116.1(4) . 4_576
O4 Er1 Er5 O12 26.3(5) . 4_576
O1 Er1 Er5 O12 151.7(4) . 4_576
O6 Er1 Er5 O12 -46.7(4) 4_566 4_576
O2 Er1 Er5 O12 -117.5(4) . 4_576
O25 Er1 Er5 O12 80.8(4) . 4_576
O15 Er1 Er5 O12 137.8(4) 1_565 4_576
Er4 Er1 Er5 O12 102.8(4) . 4_576
Er2 Er1 Er5 O12 -165.6(4) . 4_576
Er2 Er1 Er5 O12 -12.4(4) 4_566 4_576
O5 Er1 Er5 O7 141.0(3) 4_566 .
O4 Er1 Er5 O7 142.3(4) . .
O1 Er1 Er5 O7 -92.2(3) . .
O6 Er1 Er5 O7 69.4(2) 4_566 .
O2 Er1 Er5 O7 -1.4(3) . .
O25 Er1 Er5 O7 -163.2(2) . .
O15 Er1 Er5 O7 -106.1(3) 1_565 .
Er4 Er1 Er5 O7 -141.1(2) . .
Er2 Er1 Er5 O7 -49.5(2) . .
Er2 Er1 Er5 O7 103.7(2) 4_566 .
O5 Er1 Er5 O15 -112.8(3) 4_566 1_565
O7 Er1 Er5 O15 106.1(3) . 1_565
O4 Er1 Er5 O15 -111.5(4) . 1_565
O1 Er1 Er5 O15 13.9(3) . 1_565
O6 Er1 Er5 O15 175.5(2) 4_566 1_565
O2 Er1 Er5 O15 104.7(3) . 1_565
O25 Er1 Er5 O15 -57.0(2) . 1_565
Er4 Er1 Er5 O15 -34.96(19) . 1_565
Er2 Er1 Er5 O15 56.61(19) . 1_565
Er2 Er1 Er5 O15 -150.17(19) 4_566 1_565
O5 Er1 Er5 N2 -127.4(3) 4_566 1_565
O7 Er1 Er5 N2 91.6(3) . 1_565
O4 Er1 Er5 N2 -126.1(3) . 1_565
O1 Er1 Er5 N2 -0.6(2) . 1_565
O6 Er1 Er5 N2 161.0(2) 4_566 1_565
O2 Er1 Er5 N2 90.2(3) . 1_565
O25 Er1 Er5 N2 -71.6(2) . 1_565
O15 Er1 Er5 N2 -14.5(3) 1_565 1_565
Er4 Er1 Er5 N2 -49.50(18) . 1_565
Er2 Er1 Er5 N2 42.07(18) . 1_565
Er2 Er1 Er5 N2 -164.71(17) 4_566 1_565
O5 Er1 Er5 Er2 37.3(2) 4_566 4_566
O7 Er1 Er5 Er2 -103.7(2) . 4_566
O4 Er1 Er5 Er2 38.6(3) . 4_566
O1 Er1 Er5 Er2 164.08(16) . 4_566
O6 Er1 Er5 Er2 -34.31(14) 4_566 4_566
O2 Er1 Er5 Er2 -105.12(19) . 4_566
O25 Er1 Er5 Er2 93.15(13) . 4_566
O15 Er1 Er5 Er2 150.17(19) 1_565 4_566
Er4 Er1 Er5 Er2 115.21(2) . 4_566
Er2 Er1 Er5 Er2 -153.22(2) . 4_566
O5 Er1 Er5 Er6 104.2(2) 4_566 .
O7 Er1 Er5 Er6 -36.8(2) . .
O4 Er1 Er5 Er6 105.5(3) . .
O1 Er1 Er5 Er6 -129.02(16) . .
O6 Er1 Er5 Er6 32.59(14) 4_566 .
O2 Er1 Er5 Er6 -38.22(19) . .
O25 Er1 Er5 Er6 160.05(13) . .
O15 Er1 Er5 Er6 -142.93(19) 1_565 .
Er4 Er1 Er5 Er6 -177.89(2) . .
Er2 Er1 Er5 Er6 -86.320(18) . .
Er2 Er1 Er5 Er6 66.901(13) 4_566 .
O19 Er5 Er6 O22 -108.0(4) 1_565 2_655
O5 Er5 Er6 O22 69.1(4) 4_566 2_655
O28 Er5 Er6 O22 97.6(5) 2 2_655
O8 Er5 Er6 O22 141.0(5) . 2_655
O12 Er5 Er6 O22 -175.7(4) 4_576 2_655
O7 Er5 Er6 O22 -14.0(5) . 2_655
O15 Er5 Er6 O22 0.9(4) 1_565 2_655
N2 Er5 Er6 O22 -67.0(5) 1_565 2_655
Er1 Er5 Er6 O22 28.1(4) . 2_655
Er2 Er5 Er6 O22 99.6(4) 4_566 2_655
O19 Er5 Er6 O8 111.0(3) 1_565 .
O5 Er5 Er6 O8 -71.9(3) 4_566 .
O28 Er5 Er6 O8 -43.4(4) 2 .
O12 Er5 Er6 O8 43.3(3) 4_576 .
O7 Er5 Er6 O8 -155.0(3) . .
O15 Er5 Er6 O8 -140.1(3) 1_565 .
N2 Er5 Er6 O8 152.0(3) 1_565 .
Er1 Er5 Er6 O8 -112.9(2) . .
Er2 Er5 Er6 O8 -41.4(2) 4_566 .
O19 Er5 Er6 O7 -94.1(3) 1_565 .
O5 Er5 Er6 O7 83.0(3) 4_566 .
O28 Er5 Er6 O7 111.6(4) 2 .
O8 Er5 Er6 O7 155.0(3) . .
O12 Er5 Er6 O7 -161.7(3) 4_576 .
O15 Er5 Er6 O7 14.9(3) 1_565 .
N2 Er5 Er6 O7 -53.0(3) 1_565 .
Er1 Er5 Er6 O7 42.1(2) . .
Er2 Er5 Er6 O7 113.6(2) 4_566 .
O19 Er5 Er6 O20W 146.3(5) 1_565 .
O5 Er5 Er6 O20W -36.6(5) 4_566 .
O28 Er5 Er6 O20W -8.0(6) 2 .
O8 Er5 Er6 O20W 35.3(5) . .
O12 Er5 Er6 O20W 78.6(5) 4_576 .
O7 Er5 Er6 O20W -119.6(5) . .
O15 Er5 Er6 O20W -104.7(5) 1_565 .
N2 Er5 Er6 O20W -172.6(5) 1_565 .
Er1 Er5 Er6 O20W -77.5(5) . .
Er2 Er5 Er6 O20W -6.1(5) 4_566 .
O19 Er5 Er6 O20 12.0(3) 1_565 1_565
O5 Er5 Er6 O20 -170.9(2) 4_566 1_565
O28 Er5 Er6 O20 -142.3(4) 2 1_565
O8 Er5 Er6 O20 -98.9(3) . 1_565
O12 Er5 Er6 O20 -55.6(3) 4_576 1_565
O7 Er5 Er6 O20 106.1(3) . 1_565
O15 Er5 Er6 O20 121.0(2) 1_565 1_565
N2 Er5 Er6 O20 53.1(3) 1_565 1_565
Er1 Er5 Er6 O20 148.2(2) . 1_565
Er2 Er5 Er6 O20 -140.3(2) 4_566 1_565
O19 Er5 Er6 O6 -168.9(2) 1_565 4_566
O5 Er5 Er6 O6 8.1(2) 4_566 4_566
O28 Er5 Er6 O6 36.7(4) 2 4_566
O8 Er5 Er6 O6 80.1(3) . 4_566
O12 Er5 Er6 O6 123.4(2) 4_576 4_566
O7 Er5 Er6 O6 -74.9(3) . 4_566
O15 Er5 Er6 O6 -60.0(2) 1_565 4_566
N2 Er5 Er6 O6 -127.9(3) 1_565 4_566
Er1 Er5 Er6 O6 -32.77(15) . 4_566
Er2 Er5 Er6 O6 38.68(15) 4_566 4_566
O19 Er5 Er6 O24 74.8(3) 1_565 4_566
O5 Er5 Er6 O24 -108.1(2) 4_566 4_566
O28 Er5 Er6 O24 -79.5(4) 2 4_566
O8 Er5 Er6 O24 -36.2(3) . 4_566
O12 Er5 Er6 O24 7.2(2) 4_576 4_566
O7 Er5 Er6 O24 168.9(3) . 4_566
O15 Er5 Er6 O24 -176.2(2) 1_565 4_566
N2 Er5 Er6 O24 115.9(3) 1_565 4_566
Er1 Er5 Er6 O24 -149.01(18) . 4_566
Er2 Er5 Er6 O24 -77.57(18) 4_566 4_566
O19 Er5 Er6 N4 -11.1(5) 1_565 2_655
O5 Er5 Er6 N4 166.0(4) 4_566 2_655
O28 Er5 Er6 N4 -165.4(5) 2 2_655
O8 Er5 Er6 N4 -122.1(5) . 2_655
O12 Er5 Er6 N4 -78.7(5) 4_576 2_655
O7 Er5 Er6 N4 83.0(5) . 2_655
O15 Er5 Er6 N4 97.9(4) 1_565 2_655
N2 Er5 Er6 N4 30.0(5) 1_565 2_655
Er1 Er5 Er6 N4 125.1(4) . 2_655
Er2 Er5 Er6 N4 -163.5(4) 4_566 2_655
O19 Er5 Er6 O21W 140.2(6) 1_565 4_566
O5 Er5 Er6 O21W -42.7(6) 4_566 4_566
O28 Er5 Er6 O21W -14.1(6) 2 4_566
O8 Er5 Er6 O21W 29.2(6) . 4_566
O12 Er5 Er6 O21W 72.6(6) 4_576 4_566
O7 Er5 Er6 O21W -125.7(6) . 4_566
O15 Er5 Er6 O21W -110.8(6) 1_565 4_566
N2 Er5 Er6 O21W -178.7(6) 1_565 4_566
Er1 Er5 Er6 O21W -83.6(6) . 4_566
Er2 Er5 Er6 O21W -12.2(6) 4_566 4_566
O19 Er5 Er6 O10W -52.0(6) 1_565 .
O5 Er5 Er6 O10W 125.1(5) 4_566 .
O28 Er5 Er6 O10W 153.7(6) 2 .
O8 Er5 Er6 O10W -162.9(6) . .
O12 Er5 Er6 O10W -119.6(5) 4_576 .
O7 Er5 Er6 O10W 42.1(6) . .
O15 Er5 Er6 O10W 57.0(5) 1_565 .
N2 Er5 Er6 O10W -10.9(6) 1_565 .
Er1 Er5 Er6 O10W 84.2(5) . .
Er2 Er5 Er6 O10W 155.6(5) 4_566 .
O19 Er5 Er6 Er2 152.38(18) 1_565 4_566
O5 Er5 Er6 Er2 -30.53(13) 4_566 4_566
O28 Er5 Er6 Er2 -2.0(3) 2 4_566
O8 Er5 Er6 Er2 41.4(2) . 4_566
O12 Er5 Er6 Er2 84.73(16) 4_576 4_566
O7 Er5 Er6 Er2 -113.6(2) . 4_566
O15 Er5 Er6 Er2 -98.67(14) 1_565 4_566
N2 Er5 Er6 Er2 -166.5(2) 1_565 4_566
Er1 Er5 Er6 Er2 -71.443(15) . 4_566
O22 Er6 O20W O21W -135.2(14) 2_655 4_566
O8 Er6 O20W O21W 7.7(14) . 4_566
O7 Er6 O20W O21W -69.9(16) . 4_566
O20 Er6 O20W O21W 98.3(14) 1_565 4_566
O6 Er6 O20W O21W -56.9(13) 4_566 4_566
O24 Er6 O20W O21W 73.9(14) 4_566 4_566
N4 Er6 O20W O21W 154.8(14) 2_655 4_566
O10W Er6 O20W O21W -169.8(14) . 4_566
Er2 Er6 O20W O21W -18.3(13) 4_566 4_566
Er5 Er6 O20W O21W -12.9(15) . 4_566
O5 Er2 O1 Er4 64.4(3) . .
O2 Er2 O1 Er4 -85.5(3) . .
O6 Er2 O1 Er4 127.4(3) . .
O8 Er2 O1 Er4 -2.8(4) 4_565 .
O9 Er2 O1 Er4 -165.5(3) . .
O3 Er2 O1 Er4 -11.7(2) . .
O10 Er2 O1 Er4 141.6(3) . .
C1 Er2 O1 Er4 168.5(3) . .
Er1 Er2 O1 Er4 -104.4(3) . .
Er1 Er2 O1 Er4 93.7(2) 4_565 .
O5 Er2 O1 Er1 168.8(2) . .
O2 Er2 O1 Er1 18.9(2) . .
O6 Er2 O1 Er1 -128.2(3) . .
O8 Er2 O1 Er1 101.6(3) 4_565 .
O9 Er2 O1 Er1 -61.1(2) . .
O3 Er2 O1 Er1 92.7(2) . .
O10 Er2 O1 Er1 -114.0(3) . .
C1 Er2 O1 Er1 -87.1(3) . .
Er1 Er2 O1 Er1 -161.92(13) 4_565 .
O27 Er4 O1 Er2 -64.3(3) 3 .
O3 Er4 O1 Er2 12.6(2) . .
O14 Er4 O1 Er2 34.4(5) . .
O25 Er4 O1 Er2 154.0(3) . .
O4 Er4 O1 Er2 84.5(3) . .
O1W Er4 O1 Er2 -125.4(3) . .
N5 Er4 O1 Er2 -172.6(2) . .
Er1 Er4 O1 Er2 110.6(3) . .
Er3 Er4 O1 Er2 47.8(2) . .
O27 Er4 O1 Er1 -174.9(2) 3 .
O3 Er4 O1 Er1 -98.0(2) . .
O14 Er4 O1 Er1 -76.2(5) . .
O25 Er4 O1 Er1 43.4(2) . .
O4 Er4 O1 Er1 -26.13(19) . .
O1W Er4 O1 Er1 124.1(2) . .
N5 Er4 O1 Er1 76.8(3) . .
Er3 Er4 O1 Er1 -62.74(15) . .
Er2 Er4 O1 Er1 -110.6(3) . .
O5 Er1 O1 Er2 161.2(2) 4_566 .
O7 Er1 O1 Er2 64.3(3) . .
O4 Er1 O1 Er2 -90.8(2) . .
O6 Er1 O1 Er2 -22.1(6) 4_566 .
O2 Er1 O1 Er2 -18.4(2) . .
O25 Er1 O1 Er2 -159.2(3) . .
O15 Er1 O1 Er2 122.0(3) 1_565 .
Er5 Er1 O1 Er2 112.02(18) . .
Er4 Er1 O1 Er2 -118.0(3) . .
Er2 Er1 O1 Er2 -156.8(4) 4_566 .
O5 Er1 O1 Er4 -80.9(3) 4_566 .
O7 Er1 O1 Er4 -177.73(18) . .
O4 Er1 O1 Er4 27.1(2) . .
O6 Er1 O1 Er4 95.9(5) 4_566 .
O2 Er1 O1 Er4 99.5(2) . .
O25 Er1 O1 Er4 -41.26(19) . .
O15 Er1 O1 Er4 -120.0(2) 1_565 .
Er5 Er1 O1 Er4 -130.01(13) . .
Er2 Er1 O1 Er4 118.0(3) . .
Er2 Er1 O1 Er4 -38.8(7) 4_566 .
O5 Er2 O2 Er3 24.3(5) . .
O1 Er2 O2 Er3 94.3(3) . .
O6 Er2 O2 Er3 -112.1(3) . .
O8 Er2 O2 Er3 -42.2(2) 4_565 .
O9 Er2 O2 Er3 179.0(3) . .
O3 Er2 O2 Er3 24.1(2) . .
O10 Er2 O2 Er3 149.1(2) . .
C1 Er2 O2 Er3 165.6(2) . .
Er1 Er2 O2 Er3 112.4(3) . .
Er6 Er2 O2 Er3 -78.6(2) 4_565 .
Er1 Er2 O2 Er3 -81.5(9) 4_565 .
O5 Er2 O2 Er1 -88.2(4) . .
O1 Er2 O2 Er1 -18.2(2) . .
O6 Er2 O2 Er1 135.5(2) . .
O8 Er2 O2 Er1 -154.6(2) 4_565 .
O9 Er2 O2 Er1 66.6(2) . .
O3 Er2 O2 Er1 -88.3(2) . .
O10 Er2 O2 Er1 36.7(3) . .
C1 Er2 O2 Er1 53.2(3) . .
Er6 Er2 O2 Er1 168.95(13) 4_565 .
Er1 Er2 O2 Er1 166.1(6) 4_565 .
O4 Er3 O2 Er2 -100.7(3) . .
O3 Er3 O2 Er2 -26.0(2) . .
O23 Er3 O2 Er2 80.9(3) . .
O17 Er3 O2 Er2 172.0(3) . .
O13 Er3 O2 Er2 -76.8(4) . .
O11 Er3 O2 Er2 32.3(3) 1_545 .
N3 Er3 O2 Er2 147.4(3) . .
Er4 Er3 O2 Er2 -61.85(18) . .
Er1 Er3 O2 Er2 -110.2(3) . .
O4 Er3 O2 Er1 9.55(19) . .
O3 Er3 O2 Er1 84.2(2) . .
O23 Er3 O2 Er1 -168.9(3) . .
O17 Er3 O2 Er1 -77.8(3) . .
O13 Er3 O2 Er1 33.5(4) . .
O11 Er3 O2 Er1 142.6(2) 1_545 .
N3 Er3 O2 Er1 -102.4(3) . .
Er2 Er3 O2 Er1 110.2(3) . .
Er4 Er3 O2 Er1 48.36(16) . .
O5 Er1 O2 Er2 -161.3(3) 4_566 .
O7 Er1 O2 Er2 -94.7(2) . .
O4 Er1 O2 Er2 103.4(2) . .
O1 Er1 O2 Er2 18.1(2) . .
O6 Er1 O2 Er2 -163.6(2) 4_566 .
O25 Er1 O2 Er2 64.1(3) . .
O15 Er1 O2 Er2 -33.9(3) 1_565 .
Er5 Er1 O2 Er2 -93.7(2) . .
Er4 Er1 O2 Er2 59.87(17) . .
Er2 Er1 O2 Er2 -172.62(10) 4_566 .
O5 Er1 O2 Er3 85.7(5) 4_566 .
O7 Er1 O2 Er3 152.3(2) . .
O4 Er1 O2 Er3 -9.6(2) . .
O1 Er1 O2 Er3 -95.0(2) . .
O6 Er1 O2 Er3 83.4(2) 4_566 .
O25 Er1 O2 Er3 -49.0(3) . .
O15 Er1 O2 Er3 -147.0(2) 1_565 .
Er5 Er1 O2 Er3 153.23(9) . .
Er4 Er1 O2 Er3 -53.18(17) . .
Er2 Er1 O2 Er3 -113.1(3) . .
Er2 Er1 O2 Er3 74.3(2) 4_566 .
O27 Er4 O3 Er3 -146.7(3) 3 .
O14 Er4 O3 Er3 -70.4(2) . .
O1 Er4 O3 Er3 99.2(3) . .
O25 Er4 O3 Er3 52.3(3) . .
O4 Er4 O3 Er3 15.0(2) . .
O1W Er4 O3 Er3 150.2(2) . .
N5 Er4 O3 Er3 -68.6(7) . .
Er1 Er4 O3 Er3 56.78(19) . .
Er2 Er4 O3 Er3 109.9(3) . .
O27 Er4 O3 Er2 103.4(2) 3 .
O14 Er4 O3 Er2 179.7(2) . .
O1 Er4 O3 Er2 -10.79(19) . .
O25 Er4 O3 Er2 -57.6(3) . .
O4 Er4 O3 Er2 -95.0(2) . .
O1W Er4 O3 Er2 40.3(3) . .
N5 Er4 O3 Er2 -178.5(5) . .
Er1 Er4 O3 Er2 -53.17(16) . .
Er3 Er4 O3 Er2 -109.9(3) . .
O4 Er3 O3 Er4 -15.5(2) . .
O23 Er3 O3 Er4 -162.7(2) . .
O17 Er3 O3 Er4 -59.8(5) . .
O13 Er3 O3 Er4 60.2(2) . .
O2 Er3 O3 Er4 -90.7(3) . .
O11 Er3 O3 Er4 132.6(3) 1_545 .
N3 Er3 O3 Er4 98.8(5) . .
Er2 Er3 O3 Er4 -113.6(3) . .
Er1 Er3 O3 Er4 -51.74(18) . .
O4 Er3 O3 Er2 98.1(2) . .
O23 Er3 O3 Er2 -49.1(2) . .
O17 Er3 O3 Er2 53.8(4) . .
O13 Er3 O3 Er2 173.8(2) . .
O2 Er3 O3 Er2 22.86(19) . .
O11 Er3 O3 Er2 -113.8(2) 1_545 .
N3 Er3 O3 Er2 -147.7(4) . .
Er4 Er3 O3 Er2 113.6(3) . .
Er1 Er3 O3 Er2 61.85(14) . .
O5 Er2 O3 Er4 -87.8(2) . .
O1 Er2 O3 Er4 11.3(2) . .
O2 Er2 O3 Er4 92.1(2) . .
O6 Er2 O3 Er4 -134.5(2) . .
O8 Er2 O3 Er4 -162.2(3) 4_565 .
O9 Er2 O3 Er4 52.9(4) . .
O10 Er2 O3 Er4 -22.5(3) . .
C1 Er2 O3 Er4 11.6(4) . .
Er1 Er2 O3 Er4 50.72(16) . .
Er6 Er2 O3 Er4 -165.85(14) 4_565 .
Er1 Er2 O3 Er4 -98.39(18) 4_565 .
O5 Er2 O3 Er3 156.2(2) . .
O1 Er2 O3 Er3 -104.7(2) . .
O2 Er2 O3 Er3 -23.9(2) . .
O6 Er2 O3 Er3 109.5(3) . .
O8 Er2 O3 Er3 81.8(2) 4_565 .
O9 Er2 O3 Er3 -63.1(4) . .
O10 Er2 O3 Er3 -138.5(2) . .
C1 Er2 O3 Er3 -104.4(3) . .
Er1 Er2 O3 Er3 -65.28(15) . .
Er6 Er2 O3 Er3 78.15(18) 4_565 .
Er1 Er2 O3 Er3 145.61(13) 4_565 .
O5 Er1 O4 Er3 -142.0(2) 4_566 .
O7 Er1 O4 Er3 -34.4(5) . .
O1 Er1 O4 Er3 83.8(2) . .
O6 Er1 O4 Er3 -72.4(2) 4_566 .
O2 Er1 O4 Er3 10.1(2) . .
O25 Er1 O4 Er3 155.5(3) . .
O15 Er1 O4 Er3 136.6(2) 1_565 .
Er5 Er1 O4 Er3 -142.96(17) . .
Er4 Er1 O4 Er3 110.0(3) . .
Er2 Er1 O4 Er3 46.77(19) . .
Er2 Er1 O4 Er3 -109.11(19) 4_566 .
O5 Er1 O4 Er4 108.0(2) 4_566 .
O7 Er1 O4 Er4 -144.4(4) . .
O1 Er1 O4 Er4 -26.17(19) . .
O6 Er1 O4 Er4 177.7(2) 4_566 .
O2 Er1 O4 Er4 -99.9(2) . .
O25 Er1 O4 Er4 45.50(18) . .
O15 Er1 O4 Er4 26.6(4) 1_565 .
Er5 Er1 O4 Er4 107.1(3) . .
Er2 Er1 O4 Er4 -63.20(14) . .
Er2 Er1 O4 Er4 140.92(14) 4_566 .
O3 Er3 O4 Er1 -87.4(3) . .
O23 Er3 O4 Er1 -7.4(5) . .
O17 Er3 O4 Er1 68.3(3) . .
O13 Er3 O4 Er1 -175.0(3) . .
O2 Er3 O4 Er1 -10.2(2) . .
O11 Er3 O4 Er1 -134.9(3) 1_545 .
N3 Er3 O4 Er1 122.9(2) . .
Er2 Er3 O4 Er1 -45.87(18) . .
Er4 Er3 O4 Er1 -101.8(3) . .
O3 Er3 O4 Er4 14.4(2) . .
O23 Er3 O4 Er4 94.4(4) . .
O17 Er3 O4 Er4 170.0(3) . .
O13 Er3 O4 Er4 -73.2(2) . .
O2 Er3 O4 Er4 91.6(2) . .
O11 Er3 O4 Er4 -33.2(4) 1_545 .
N3 Er3 O4 Er4 -135.3(2) . .
Er2 Er3 O4 Er4 55.92(18) . .
Er1 Er3 O4 Er4 101.8(3) . .
O27 Er4 O4 Er1 136.5(3) 3 .
O3 Er4 O4 Er1 99.0(2) . .
O14 Er4 O4 Er1 -175.7(2) . .
O1 Er4 O4 Er1 26.4(2) . .
O25 Er4 O4 Er1 -48.6(2) . .
O1W Er4 O4 Er1 -19.7(4) . .
N5 Er4 O4 Er1 -101.2(2) . .
Er3 Er4 O4 Er1 113.7(3) . .
Er2 Er4 O4 Er1 59.46(14) . .
O27 Er4 O4 Er3 22.8(5) 3 .
O3 Er4 O4 Er3 -14.7(2) . .
O14 Er4 O4 Er3 70.7(2) . .
O1 Er4 O4 Er3 -87.3(2) . .
O25 Er4 O4 Er3 -162.3(3) . .
O1W Er4 O4 Er3 -133.3(3) . .
N5 Er4 O4 Er3 145.1(2) . .
Er1 Er4 O4 Er3 -113.7(3) . .
Er2 Er4 O4 Er3 -54.22(18) . .
O1 Er2 O5 Er1 131.8(2) . 4_565
O2 Er2 O5 Er1 -163.5(3) . 4_565
O6 Er2 O5 Er1 -14.9(2) . 4_565
O8 Er2 O5 Er1 -90.2(2) 4_565 4_565
O9 Er2 O5 Er1 49.6(3) . 4_565
O3 Er2 O5 Er1 -163.4(3) . 4_565
O10 Er2 O5 Er1 61.6(2) . 4_565
C1 Er2 O5 Er1 55.8(3) . 4_565
Er1 Er2 O5 Er1 140.73(12) . 4_565
Er6 Er2 O5 Er1 -53.63(18) 4_565 4_565
O1 Er2 O5 Er5 -124.6(2) . 4_565
O2 Er2 O5 Er5 -59.9(4) . 4_565
O6 Er2 O5 Er5 88.7(2) . 4_565
O8 Er2 O5 Er5 13.4(2) 4_565 4_565
O9 Er2 O5 Er5 153.2(2) . 4_565
O3 Er2 O5 Er5 -59.8(2) . 4_565
O10 Er2 O5 Er5 165.2(3) . 4_565
C1 Er2 O5 Er5 159.4(2) . 4_565
Er1 Er2 O5 Er5 -115.70(18) . 4_565
Er6 Er2 O5 Er5 49.95(18) 4_565 4_565
Er1 Er2 O5 Er5 103.6(3) 4_565 4_565
O5 Er2 O6 Er1 14.4(2) . 4_565
O1 Er2 O6 Er1 -55.2(4) . 4_565
O2 Er2 O6 Er1 171.6(2) . 4_565
O8 Er2 O6 Er1 90.9(2) 4_565 4_565
O9 Er2 O6 Er1 -121.6(3) . 4_565
O3 Er2 O6 Er1 63.3(3) . 4_565
O10 Er2 O6 Er1 -69.2(2) . 4_565
C1 Er2 O6 Er1 -96.0(3) . 4_565
Er1 Er2 O6 Er1 -126.7(2) . 4_565
Er6 Er2 O6 Er1 115.0(3) 4_565 4_565
O5 Er2 O6 Er6 -100.6(2) . 4_565
O1 Er2 O6 Er6 -170.2(3) . 4_565
O2 Er2 O6 Er6 56.6(3) . 4_565
O8 Er2 O6 Er6 -24.05(19) 4_565 4_565
O9 Er2 O6 Er6 123.4(2) . 4_565
O3 Er2 O6 Er6 -51.7(3) . 4_565
O10 Er2 O6 Er6 175.8(3) . 4_565
C1 Er2 O6 Er6 149.1(3) . 4_565
Er1 Er2 O6 Er6 118.3(2) . 4_565
Er1 Er2 O6 Er6 -115.0(3) 4_565 4_565
O5 Er1 O7 Er6 84.4(2) 4_566 .
O4 Er1 O7 Er6 -30.1(6) . .
O1 Er1 O7 Er6 -141.3(2) . .
O6 Er1 O7 Er6 11.1(2) 4_566 .
O2 Er1 O7 Er6 -71.3(2) . .
O25 Er1 O7 Er6 135.9(2) . .
O15 Er1 O7 Er6 156.3(3) 1_565 .
Er5 Er1 O7 Er6 109.7(3) . .
Er4 Er1 O7 Er6 -144.70(17) . .
Er2 Er1 O7 Er6 -108.7(2) . .
Er2 Er1 O7 Er6 48.11(19) 4_566 .
O5 Er1 O7 Er5 -25.33(18) 4_566 .
O4 Er1 O7 Er5 -139.8(4) . .
O1 Er1 O7 Er5 109.0(2) . .
O6 Er1 O7 Er5 -98.6(2) 4_566 .
O2 Er1 O7 Er5 179.0(2) . .
O25 Er1 O7 Er5 26.2(4) . .
O15 Er1 O7 Er5 46.62(18) 1_565 .
Er4 Er1 O7 Er5 105.6(3) . .
Er2 Er1 O7 Er5 141.58(14) . .
Er2 Er1 O7 Er5 -61.61(13) 4_566 .
O22 Er6 O7 Er1 65.9(4) 2_655 .
O8 Er6 O7 Er1 -86.9(3) . .
O20W Er6 O7 Er1 2.8(9) . .
O20 Er6 O7 Er1 -168.7(3) 1_565 .
O6 Er6 O7 Er1 -10.9(2) 4_566 .
O24 Er6 O7 Er1 -119.1(3) 4_566 .
N4 Er6 O7 Er1 121.5(4) 2_655 .
O21W Er6 O7 Er1 -29.1(8) 4_566 .
O10W Er6 O7 Er1 124.3(7) . .
Er2 Er6 O7 Er1 -48.28(19) 4_566 .
Er5 Er6 O7 Er1 -102.1(3) . .
O22 Er6 O7 Er5 168.0(4) 2_655 .
O8 Er6 O7 Er5 15.2(2) . .
O20W Er6 O7 Er5 104.9(8) . .
O20 Er6 O7 Er5 -66.5(3) 1_565 .
O6 Er6 O7 Er5 91.2(2) 4_566 .
O24 Er6 O7 Er5 -17.0(4) 4_566 .
N4 Er6 O7 Er5 -136.4(4) 2_655 .
O21W Er6 O7 Er5 73.1(8) 4_566 .
O10W Er6 O7 Er5 -133.6(7) . .
Er2 Er6 O7 Er5 53.84(17) 4_566 .
O19 Er5 O7 Er1 -171.5(2) 1_565 .
O5 Er5 O7 Er1 25.35(18) 4_566 .
O28 Er5 O7 Er1 -16.5(4) 2 .
O8 Er5 O7 Er1 99.9(2) . .
O12 Er5 O7 Er1 144.5(3) 4_576 .
O15 Er5 O7 Er1 -49.48(19) 1_565 .
N2 Er5 O7 Er1 -102.8(2) 1_565 .
Er2 Er5 O7 Er1 61.45(14) 4_566 .
Er6 Er5 O7 Er1 115.0(3) . .
O19 Er5 O7 Er6 73.6(2) 1_565 .
O5 Er5 O7 Er6 -89.6(2) 4_566 .
O28 Er5 O7 Er6 -131.4(3) 2 .
O8 Er5 O7 Er6 -15.1(2) . .
O12 Er5 O7 Er6 29.5(4) 4_576 .
O15 Er5 O7 Er6 -164.5(3) 1_565 .
N2 Er5 O7 Er6 142.2(2) 1_565 .
Er1 Er5 O7 Er6 -115.0(3) . .
Er2 Er5 O7 Er6 -53.52(17) 4_566 .
O22 Er6 O8 Er5 -66.3(7) 2_655 .
O7 Er6 O8 Er5 -15.6(2) . .
O20W Er6 O8 Er5 -155.5(4) . .
O20 Er6 O8 Er5 72.2(3) 1_565 .
O6 Er6 O8 Er5 -87.4(3) 4_566 .
O24 Er6 O8 Er5 143.6(3) 4_566 .
N4 Er6 O8 Er5 120.1(7) 2_655 .
O21W Er6 O8 Er5 -152.0(6) 4_566 .
O10W Er6 O8 Er5 21.9(7) . .
Er2 Er6 O8 Er5 -111.8(3) 4_566 .
O22 Er6 O8 Er2 45.5(7) 2_655 4_566
O7 Er6 O8 Er2 96.2(2) . 4_566
O20W Er6 O8 Er2 -43.7(4) . 4_566
O20 Er6 O8 Er2 -176.0(3) 1_565 4_566
O6 Er6 O8 Er2 24.4(2) 4_566 4_566
O24 Er6 O8 Er2 -104.5(3) 4_566 4_566
N4 Er6 O8 Er2 -128.0(7) 2_655 4_566
O21W Er6 O8 Er2 -40.2(5) 4_566 4_566
O10W Er6 O8 Er2 133.7(6) . 4_566
Er5 Er6 O8 Er2 111.8(3) . 4_566
O19 Er5 O8 Er6 -60.8(3) 1_565 .
O5 Er5 O8 Er6 99.1(3) 4_566 .
O28 Er5 O8 Er6 157.7(2) 2 .
O12 Er5 O8 Er6 -139.2(3) 4_576 .
O7 Er5 O8 Er6 15.6(2) . .
O15 Er5 O8 Er6 53.2(3) 1_565 .
N2 Er5 O8 Er6 -67.9(6) 1_565 .
Er1 Er5 O8 Er6 57.35(19) . .
Er2 Er5 O8 Er6 111.8(3) 4_566 .
O19 Er5 O8 Er2 -172.6(3) 1_565 4_566
O5 Er5 O8 Er2 -12.8(2) 4_566 4_566
O28 Er5 O8 Er2 45.9(3) 2 4_566
O12 Er5 O8 Er2 109.0(2) 4_576 4_566
O7 Er5 O8 Er2 -96.3(2) . 4_566
O15 Er5 O8 Er2 -58.7(3) 1_565 4_566
N2 Er5 O8 Er2 -179.8(5) 1_565 4_566
Er1 Er5 O8 Er2 -54.50(17) . 4_566
Er6 Er5 O8 Er2 -111.8(3) . 4_566
O5 Er2 O9 C1 13.7(6) . .
O1 Er2 O9 C1 -74.0(5) . .
O2 Er2 O9 C1 -149.0(5) . .
O6 Er2 O9 C1 73.2(5) . .
O8 Er2 O9 C1 124.2(5) 4_565 .
O3 Er2 O9 C1 -111.9(5) . .
O10 Er2 O9 C1 -1.3(5) . .
Er1 Er2 O9 C1 -109.6(5) . .
Er6 Er2 O9 C1 106.3(5) 4_565 .
Er1 Er2 O9 C1 41.1(5) 4_565 .
O5 Er2 O10 C1 -167.0(5) . .
O1 Er2 O10 C1 95.3(5) . .
O2 Er2 O10 C1 39.4(6) . .
O6 Er2 O10 C1 -93.3(5) . .
O8 Er2 O10 C1 -123.1(5) 4_565 .
O9 Er2 O10 C1 1.3(5) . .
O3 Er2 O10 C1 127.8(5) . .
Er1 Er2 O10 C1 61.6(5) . .
Er6 Er2 O10 C1 -90.4(5) 4_565 .
Er1 Er2 O10 C1 -132.1(5) 4_565 .
O4 Er3 O13 C8 67.2(8) . .
O3 Er3 O13 C8 -4.2(8) . .
O23 Er3 O13 C8 -103.0(8) . .
O17 Er3 O13 C8 142.2(8) . .
O2 Er3 O13 C8 43.8(10) . .
O11 Er3 O13 C8 -84.3(8) 1_545 .
N3 Er3 O13 C8 -166.0(9) . .
Er2 Er3 O13 C8 0.7(9) . .
Er4 Er3 O13 C8 28.1(8) . .
Er1 Er3 O13 C8 64.2(8) . .
O27 Er4 O14 C8 121.6(7) 3 .
O3 Er4 O14 C8 34.3(7) . .
O1 Er4 O14 C8 13.7(10) . .
O25 Er4 O14 C8 -93.4(7) . .
O4 Er4 O14 C8 -35.2(7) . .
O1W Er4 O14 C8 166.6(6) . .
N5 Er4 O14 C8 -145.1(7) . .
Er1 Er4 O14 C8 -38.7(8) . .
Er3 Er4 O14 C8 0.0(7) . .
Er2 Er4 O14 C8 34.5(8) . .
O4 Er3 O17 C15 146.5(9) . .
O3 Er3 O17 C15 -172.1(8) . .
O23 Er3 O17 C15 -65.0(9) . .
O13 Er3 O17 C15 77.2(9) . .
O2 Er3 O17 C15 -142.0(9) . .
O11 Er3 O17 C15 -9.8(10) 1_545 .
N3 Er3 O17 C15 19.3(8) . .
Er2 Er3 O17 C15 -137.0(8) . .
Er4 Er3 O17 C15 153.4(8) . .
Er1 Er3 O17 C15 179.9(9) . .
O27 Er4 O25 C29 54.4(8) 3 .
O3 Er4 O25 C29 -159.1(6) . .
O14 Er4 O25 C29 -54.5(7) . .
O1 Er4 O25 C29 154.8(7) . .
O1W Er4 O25 Er1 -116.7(2) . .
N5 Er4 O25 Er1 168.0(3) . .
Er2 Er4 O25 Er1 -26.19(16) . .
O5 Er1 O25 C29 -5.8(8) 4_566 .
O4 Er1 O25 C29 114.6(9) . .
O1 Er1 O25 C29 -157.9(9) . .
O6 Er1 O25 C29 44.2(9) 4_566 .
O2 Er1 O25 C29 155.3(8) . .
O15 Er1 O25 C29 -78.1(9) 1_565 .
Er5 Er1 O25 C29 -40.7(9) . .
Er4 Er1 O25 C29 161.5(10) . .
Er2 Er1 O25 C29 -170.5(8) . .
Er2 Er1 O25 C29 22.7(9) 4_566 .
O5 Er1 O25 Er4 -167.2(2) 4_566 .
O7 Er1 O25 Er4 139.9(2) . .
O4 Er1 O25 Er4 -46.82(19) . .
O1 Er1 O25 Er4 40.67(19) . .
O6 Er1 O25 Er4 -117.3(2) 4_566 .
O2 Er1 O25 Er4 -6.2(3) . .
O15 Er1 O25 Er4 120.4(2) 1_565 .
Er5 Er1 O25 Er4 157.83(13) . .
Er2 Er1 O25 Er4 28.09(18) . .
Er2 Er1 O25 Er4 -138.73(14) 4_566 .
O4 Er3 N3 C20 105.7(7) . .
O3 Er3 N3 C20 4.3(10) . .
O23 Er3 N3 C20 -98.7(7) . .
O17 Er3 N3 C20 170.4(8) . .
O13 Er3 N3 C20 44.1(7) . .
O2 Er3 N3 C20 -162.6(6) . .
O11 Er3 N3 C20 -29.6(7) 1_545 .
Er2 Er3 N3 C20 -105.1(7) . .
Er4 Er3 N3 C20 64.4(8) . .
Er1 Er3 N3 C20 145.2(6) . .
O4 Er3 N3 C16 -81.5(7) . .
O3 Er3 N3 C16 177.1(6) . .
O23 Er3 N3 C16 74.1(7) . .
O17 Er3 N3 C16 -16.8(6) . .
O13 Er3 N3 C16 -143.2(7) . .
O2 Er3 N3 C16 10.2(8) . .
O11 Er3 N3 C16 143.1(7) 1_545 .
Er2 Er3 N3 C16 67.6(8) . .
Er4 Er3 N3 C16 -122.9(6) . .
Er1 Er3 N3 C16 -42.0(7) . .
O27 Er4 N5 C34 17.5(7) 3 .
O3 Er4 N5 C34 -59.9(10) . .
O14 Er4 N5 C34 -58.1(7) . .
O1 Er4 N5 C34 135.0(6) . .
O25 Er4 N5 C34 170.0(7) . .
O4 Er4 N5 C34 -136.7(6) . .
O1W Er4 N5 C34 87.0(7) . .
Er1 Er4 N5 C34 179.2(6) . .
Er3 Er4 N5 C34 -108.6(6) . .
Er2 Er4 N5 C34 122.9(6) . .
O27 Er4 N5 C30 -146.4(6) 3 .
O3 Er4 N5 C30 136.2(7) . .
O14 Er4 N5 C30 138.0(6) . .
O1 Er4 N5 C30 -28.9(7) . .
O25 Er4 N5 C30 6.1(6) . .
O4 Er4 N5 C30 59.4(6) . .
O1W Er4 N5 C30 -76.9(6) . .
Er1 Er4 N5 C30 15.3(6) . .
Er3 Er4 N5 C30 87.5(6) . .
Er2 Er4 N5 C30 -41.0(9) . .
Er2 O10 C1 O9 -2.3(8) . .
Er2 O10 C1 C2 177.6(8) . .
Er2 O9 C1 O10 2.5(9) . .
Er2 O9 C1 C2 -177.4(7) . .
O5 Er2 C1 O10 13.2(5) . .
O1 Er2 C1 O10 -76.9(5) . .
O2 Er2 C1 O10 -146.8(5) . .
O6 Er2 C1 O10 79.9(5) . .
O8 Er2 C1 O10 92.0(6) 4_565 .
O9 Er2 C1 O10 -177.6(8) . .
O3 Er2 C1 O10 -77.2(6) . .
Er1 Er2 C1 O10 -115.4(5) . .
Er6 Er2 C1 O10 100.2(5) 4_565 .
Er1 Er2 C1 O10 42.5(5) 4_565 .
O5 Er2 C1 O9 -169.2(5) . .
O1 Er2 C1 O9 100.8(5) . .
O2 Er2 C1 O9 30.9(5) . .
O6 Er2 C1 O9 -102.5(5) . .
O8 Er2 C1 O9 -90.4(6) 4_565 .
O3 Er2 C1 O9 100.5(5) . .
O10 Er2 C1 O9 177.6(8) . .
Er1 Er2 C1 O9 62.2(5) . .
Er6 Er2 C1 O9 -82.2(5) 4_565 .
Er1 Er2 C1 O9 -139.8(5) 4_565 .
O10 C1 C2 C4 9.6(13) . .
O9 C1 C2 C4 -170.5(8) . .
O10 C1 C2 C3 -171.7(8) . .
O9 C1 C2 C3 8.2(13) . .
C1 C2 C3 N1 -177.4(9) . .
C5 N1 C3 C2 -1.3(14) . .
C3 C2 C4 C6 0.1(13) . .
C1 C2 C4 C6 178.8(8) . .
C3 N1 C5 C6 -0.1(13) . .
C3 N1 C5 C7 179.3(8) . .
C2 C4 C6 C5 -1.4(13) . .
N1 C5 C6 C4 1.5(13) . .
C7 C5 C6 C4 -177.9(8) . .
Er3 O11 C7 O12 36.3(14) 1_565 .
Er3 O11 C7 C5 -142.1(7) 1_565 .
Er5 O12 C7 O11 56.6(14) 4_575 .
Er5 O12 C7 C5 -125.0(8) 4_575 .
N1 C5 C7 O11 -20.6(12) . .
C6 C5 C7 O11 158.8(8) . .
N1 C5 C7 O12 160.8(8) . .
C6 C5 C7 O12 -19.8(12) . .
Er3 O13 C8 O14 -40.0(13) . .
Er3 O13 C8 C9 137.4(7) . .
Er4 O14 C8 O13 18.5(13) . .
Er4 O14 C8 C9 -158.9(5) . .
O13 C8 C9 C10 -154.6(8) . .
O14 C8 C9 C10 23.0(13) . .
O13 C8 C9 C13 21.5(11) . .
O14 C8 C9 C13 -160.9(8) . .
C13 C9 C10 C11 -3.0(13) . .
C8 C9 C10 C11 173.1(8) . .
C9 C10 C11 C12 1.8(14) . .
C13 N2 C12 C11 -2.5(13) . .
Er5 N2 C12 C11 165.6(7) 1_545 .
C13 N2 C12 C14 177.2(7) . .
Er5 N2 C12 C14 -14.6(9) 1_545 .
C10 C11 C12 N2 1.0(14) . .
C10 C11 C12 C14 -178.7(8) . .
C12 N2 C13 C9 1.2(13) . .
Er5 N2 C13 C9 -166.7(6) 1_545 .
C10 C9 C13 N2 1.5(13) . .
C8 C9 C13 N2 -174.9(8) . .
Er5 O15 C14 O16 -163.5(8) 1_545 .
Er1 O15 C14 O16 9.6(17) 1_545 .
Er5 O15 C14 C12 18.2(10) 1_545 .
Er1 O15 C14 C12 -168.7(7) 1_545 .
N2 C12 C14 O16 -179.8(8) . .
C11 C12 C14 O16 0.0(14) . .
N2 C12 C14 O15 -1.4(11) . .
C11 C12 C14 O15 178.4(8) . .
Er3 O17 C15 O18 160.6(12) . .
Er3 O17 C15 C16 -18.5(14) . .
C20 N3 C16 C17 3.6(15) . .
Er3 N3 C16 C17 -169.7(8) . .
C20 N3 C16 C15 -171.7(9) . .
Er3 N3 C16 C15 15.0(11) . .
O18 C15 C16 N3 -179.0(12) . .
O17 C15 C16 N3 0.1(14) . .
O18 C15 C16 C17 5.8(19) . .
O17 C15 C16 C17 -175.1(10) . .
N3 C16 C17 C18 -1.7(17) . .
C15 C16 C17 C18 173.0(11) . .
C16 C17 C18 C19 -1.6(17) . .
C17 C18 C19 C20 2.8(15) . .
C17 C18 C19 C21 -171.3(10) . .
C16 N3 C20 C19 -2.3(13) . .
Er3 N3 C20 C19 170.4(6) . .
C18 C19 C20 N3 -0.9(14) . .
C21 C19 C20 N3 173.7(8) . .
Er5 O19 C21 O20 38.9(14) 1_545 .
Er5 O19 C21 C19 -138.7(7) 1_545 .
Er6 O20 C21 O19 -9.8(14) 1_545 .
Er6 O20 C21 C19 167.7(6) 1_545 .
C18 C19 C21 O19 150.1(10) . .
C20 C19 C21 O19 -24.0(12) . .
C18 C19 C21 O20 -27.6(14) . .
C20 C19 C21 O20 158.2(8) . .
Er6 O22 C22 O21 -172.8(14) 2_645 .
Er6 O22 C22 C23 8(2) 2_645 .
C27 N4 C23 C24 15(2) . .
Er6 N4 C23 C24 -159.1(12) 2_645 .
C27 N4 C23 C22 -170.6(13) . .
Er6 N4 C23 C22 15.2(17) 2_645 .
O22 C22 C23 N4 -16(2) . .
O21 C22 C23 N4 164.8(15) . .
O22 C22 C23 C24 158.6(16) . .
O21 C22 C23 C24 -21(2) . .
N4 C23 C24 C25 -12(2) . .
C22 C23 C24 C25 173.9(13) . .
C23 C24 C25 C26 0(2) . .
C24 C25 C26 C27 8.9(17) . .
C24 C25 C26 C28 -176.3(11) . .
C23 N4 C27 C26 -6(2) . .
Er6 N4 C27 C26 167.4(9) 2_645 .
C25 C26 C27 N4 -6.0(18) . .
C28 C26 C27 N4 179.3(11) . .
Er6 O24 C28 O23 -32.6(17) 4_565 .
Er6 O24 C28 C26 145.0(8) 4_565 .
C27 C26 C28 O24 31.8(14) . .
C25 C26 C28 O24 -142.7(10) . .
C27 C26 C28 O23 -150.3(10) . .
C25 C26 C28 O23 35.2(14) . .
Er4 O25 C29 O26 170.0(7) . .
Er1 O25 C29 O26 13.3(15) . .
Er4 O25 C29 C30 -10.2(10) . .
Er1 O25 C29 C30 -166.9(6) . .
C34 N5 C30 C31 -0.4(13) . .
Er4 N5 C30 C31 164.8(8) . .
C34 N5 C30 C29 -178.0(7) . .
Er4 N5 C30 C29 -12.8(9) . .
O26 C29 C30 N5 -165.1(8) . .
O25 C29 C30 N5 15.1(11) . .
O26 C29 C30 C31 17.2(13) . .
O25 C29 C30 C31 -162.7(9) . .
N5 C30 C31 C32 -0.9(15) . .
C29 C30 C31 C32 176.6(9) . .
C30 C31 C32 C33 1.0(15) . .
C31 C32 C33 C34 0.1(14) . .
C31 C32 C33 C35 -178.1(9) . .
C30 N5 C34 C33 1.6(12) . .
Er4 N5 C34 C33 -162.0(6) . .
C32 C33 C34 N5 -1.5(13) . .
C35 C33 C34 N5 176.7(8) . .
Er5 O28 C35 O27 -12(3) 2_545 .
Er5 O28 C35 C33 167.5(15) 2_545 .
Er4 O27 C35 O28 27.9(16) 3 .
Er4 O27 C35 C33 -151.8(7) 3 .
C32 C33 C35 O28 -18.5(12) . .
C34 C33 C35 O28 163.3(8) . .
C32 C33 C35 O27 161.2(8) . .
C34 C33 C35 O27 -16.9(12) . .
