#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:55:38 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179496 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/93/4339310.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_4339310
loop_
_publ_author_name
'Natrajan, Louise S.'
'Timmins, Phillipa L.'
'Lunn, Matthew'
'Heath, Sarah L.'
_publ_section_title
;
 Luminescent dinuclear lanthanide complexes of 5-Me-HXTA.
;
_journal_issue                   25
_journal_name_full               'Inorganic chemistry'
_journal_page_first              10877
_journal_page_last               10886
_journal_paper_doi               10.1021/ic701366f
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C34 H48.25 Er2 N4 Na4 O24'
_chemical_formula_weight         1323.50
_chemical_name_common            'compound 7'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 98.688(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   21.0999(7)
_cell_length_b                   20.5791(7)
_cell_length_c                   25.8866(8)
_cell_measurement_reflns_used    8616
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.97
_cell_measurement_theta_min      2.75
_cell_volume                     11111.4(6)
_computing_cell_refinement       'BRUKER AXS SMART'
_computing_data_collection       'BRUKER AXS SMART'
_computing_data_reduction        'BRUKER AXS SAINT'
_computing_molecular_graphics    'SHELXTL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXTL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.934
_diffrn_measured_fraction_theta_max 0.934
_diffrn_measurement_device_type  'Bruker AXS SMART CCD area detector'
_diffrn_measurement_method       'Omega Rotation with Narrow Frames'
_diffrn_radiation_monochromator  'Silicon 111'
_diffrn_radiation_source         'Daresbury SRS Station 9.8'
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.67490
_diffrn_reflns_av_R_equivalents  0.0375
_diffrn_reflns_av_sigmaI/netI    0.0353
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            70700
_diffrn_reflns_theta_full        31.05
_diffrn_reflns_theta_max         31.05
_diffrn_reflns_theta_min         1.45
_exptl_absorpt_coefficient_mu    3.106
_exptl_absorpt_correction_T_max  0.9264
_exptl_absorpt_correction_T_min  0.5106
_exptl_absorpt_correction_type   semi-empirical
_exptl_absorpt_process_details   'repeated and equivalent reflections'
_exptl_crystal_colour            Pink
_exptl_crystal_density_diffrn    1.582
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needle
_exptl_crystal_F_000             5218
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         2.068
_refine_diff_density_min         -1.350
_refine_diff_density_rms         0.136
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     614
_refine_ls_number_reflns         19436
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.111
_refine_ls_R_factor_all          0.0374
_refine_ls_R_factor_gt           0.0323
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0335P)²+52.0481P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0884
_refine_ls_wR_factor_ref         0.0910
_reflns_number_gt                17041
_reflns_number_total             19436
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic701366f-file001.cif
_cod_data_source_block           squeezed1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4339310
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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 0.206533(6) -0.349361(6) 0.198858(5) 0.01591(3) Uani 1 1 d .
Er2 Er 0.116613(6) -0.415187(6) 0.072851(5) 0.01607(3) Uani 1 1 d .
Na1 Na 0.17772(8) -0.49555(7) 0.28014(7) 0.0357(3) Uani 1 1 d .
Na2 Na 0.0000 -0.48235(13) 0.2500 0.0801(13) Uani 1 2 d S
Na3 Na 0.24847(8) -0.40177(7) -0.12677(6) 0.0307(3) Uani 1 1 d .
Na4 Na 0.04500(6) -0.61162(7) -0.11453(5) 0.0232(3) Uani 1 1 d .
Na5 Na 0.5000 -0.20610(12) 0.2500 0.0353(5) Uani 1 2 d S
O1 O 0.20124(10) -0.43249(10) 0.14005(8) 0.0167(4) Uani 1 1 d .
O2 O 0.25990(11) -0.43236(11) 0.24899(9) 0.0222(4) Uani 1 1 d .
O3 O 0.34698(14) -0.48917(15) 0.27948(13) 0.0438(8) Uani 1 1 d .
O4 O 0.24135(11) -0.25786(11) 0.15972(9) 0.0215(4) Uani 1 1 d .
O5 O 0.31756(11) -0.18736(11) 0.14815(9) 0.0237(4) Uani 1 1 d .
O7 O -0.00982(12) -0.54017(13) 0.15127(11) 0.0313(5) Uani 1 1 d .
O6 O 0.04499(11) -0.45720(11) 0.12494(9) 0.0231(4) Uani 1 1 d .
O8 O 0.08176(12) -0.47041(13) -0.00485(9) 0.0293(5) Uani 1 1 d .
O9 O 0.11254(17) -0.54457(15) -0.05919(10) 0.0440(8) Uani 1 1 d .
O10 O 0.12951(10) -0.32664(10) 0.12712(8) 0.0185(4) Uani 1 1 d .
O18 O -0.04504(12) -0.28999(14) 0.00191(11) 0.0331(6) Uani 1 1 d .
O17 O 0.01948(11) -0.35975(12) 0.05004(10) 0.0249(5) Uani 1 1 d .
O16 O 0.20914(11) -0.42105(12) 0.03494(9) 0.0232(4) Uani 1 1 d .
O15 O 0.25648(13) -0.41187(14) -0.03611(10) 0.0328(6) Uani 1 1 d .
O14 O 0.06099(12) -0.39819(12) 0.29895(10) 0.0276(5) Uani 1 1 d .
O13 O 0.13024(11) -0.40005(11) 0.24197(9) 0.0232(4) Uani 1 1 d .
O12 O 0.25613(12) -0.28964(11) 0.27112(9) 0.0236(4) Uani 1 1 d .
O11 O 0.28026(12) -0.18428(12) 0.28467(10) 0.0273(5) Uani 1 1 d .
N1 N 0.32465(12) -0.35456(13) 0.18984(11) 0.0203(5) Uani 1 1 d .
N2 N 0.12129(12) -0.53875(12) 0.08052(10) 0.0176(4) Uani 1 1 d .
N4 N 0.12249(13) -0.32808(14) 0.00423(10) 0.0210(5) Uani 1 1 d .
N3 N 0.13335(13) -0.26975(13) 0.23723(10) 0.0208(5) Uani 1 1 d .
C1 C 0.24718(14) -0.47679(14) 0.13599(11) 0.0174(5) Uani 1 1 d .
C2 C 0.31140(15) -0.45710(15) 0.13678(13) 0.0222(6) Uani 1 1 d .
C3 C 0.35834(16) -0.50394(18) 0.13353(18) 0.0336(8) Uani 1 1 d .
H3A H 0.4015 -0.4903 0.1346 0.040 Uiso 1 1 calc R
C4 C 0.34432(17) -0.56998(19) 0.12881(19) 0.0360(9) Uani 1 1 d .
C5 C 0.28048(16) -0.58848(16) 0.12684(15) 0.0258(6) Uani 1 1 d .
H5A H 0.2695 -0.6332 0.1231 0.031 Uiso 1 1 calc R
C6 C 0.23223(14) -0.54304(15) 0.13024(12) 0.0192(5) Uani 1 1 d .
C7 C 0.3957(2) -0.6205(2) 0.1247(3) 0.0603(16) Uani 1 1 d .
H7A H 0.3761 -0.6638 0.1215 0.090 Uiso 1 1 calc R
H7B H 0.4281 -0.6188 0.1560 0.090 Uiso 1 1 calc R
H7C H 0.4159 -0.6116 0.0937 0.090 Uiso 1 1 calc R
C8 C 0.32832(15) -0.38649(16) 0.13839(13) 0.0226(6) Uani 1 1 d .
H8A H 0.2990 -0.3636 0.1108 0.027 Uiso 1 1 calc R
H8B H 0.3724 -0.3816 0.1302 0.027 Uiso 1 1 calc R
C9 C 0.36103(16) -0.39205(17) 0.23320(14) 0.0272(7) Uani 1 1 d .
H9A H 0.3787 -0.3619 0.2615 0.033 Uiso 1 1 calc R
H9B H 0.3974 -0.4142 0.2206 0.033 Uiso 1 1 calc R
C10 C 0.35043(15) -0.28776(15) 0.18790(13) 0.0221(6) Uani 1 1 d .
H10A H 0.3868 -0.2880 0.1678 0.027 Uiso 1 1 calc R
H10B H 0.3667 -0.2729 0.2238 0.027 Uiso 1 1 calc R
C11 C 0.31927(17) -0.44230(17) 0.25475(14) 0.0268(7) Uani 1 1 d .
C12 C 0.29956(14) -0.24087(15) 0.16268(11) 0.0187(5) Uani 1 1 d .
C13 C 0.16408(14) -0.56457(15) 0.12766(12) 0.0187(5) Uani 1 1 d .
H13A H 0.1477 -0.5498 0.1596 0.022 Uiso 1 1 calc R
H13B H 0.1625 -0.6127 0.1270 0.022 Uiso 1 1 calc R
C14 C 0.13953(17) -0.56362(16) 0.03158(13) 0.0248(6) Uani 1 1 d .
H14A H 0.1258 -0.6095 0.0266 0.030 Uiso 1 1 calc R
H14B H 0.1867 -0.5620 0.0336 0.030 Uiso 1 1 calc R
C15 C 0.05519(14) -0.55930(15) 0.08514(13) 0.0212(6) Uani 1 1 d .
H15A H 0.0554 -0.6051 0.0968 0.025 Uiso 1 1 calc R
H15B H 0.0279 -0.5563 0.0506 0.025 Uiso 1 1 calc R
C16 C 0.10856(18) -0.52337(18) -0.01443(13) 0.0283(7) Uani 1 1 d .
C17 C 0.02790(14) -0.51689(15) 0.12368(13) 0.0212(6) Uani 1 1 d .
C18 C 0.11158(14) -0.26460(15) 0.11555(12) 0.0196(5) Uani 1 1 d .
C19 C 0.12377(15) -0.23613(15) 0.06834(13) 0.0216(6) Uani 1 1 d .
C20 C 0.10620(19) -0.17122(18) 0.05769(15) 0.0308(7) Uani 1 1 d .
H20A H 0.1143 -0.1523 0.0259 0.037 Uiso 1 1 calc R
C21 C 0.0772(2) -0.13351(17) 0.09233(17) 0.0349(8) Uani 1 1 d .
C22 C 0.06676(18) -0.16207(17) 0.13890(16) 0.0292(7) Uani 1 1 d .
H22A H 0.0481 -0.1370 0.1635 0.035 Uiso 1 1 calc R
C23 C 0.08310(15) -0.22693(15) 0.15055(13) 0.0218(6) Uani 1 1 d .
C24 C 0.0577(3) -0.0639(2) 0.0797(2) 0.0592(15) Uani 1 1 d .
H24A H 0.0384 -0.0454 0.1086 0.089 Uiso 1 1 calc R
H24B H 0.0264 -0.0627 0.0476 0.089 Uiso 1 1 calc R
H24C H 0.0955 -0.0384 0.0748 0.089 Uiso 1 1 calc R
C30 C 0.15906(15) -0.27230(15) 0.03176(12) 0.0216(6) Uani 1 1 d .
H25A H 0.1995 -0.2891 0.0516 0.026 Uiso 1 1 calc R
H25B H 0.1705 -0.2416 0.0052 0.026 Uiso 1 1 calc R
C32 C 0.05805(16) -0.30635(17) -0.02081(13) 0.0258(6) Uani 1 1 d .
H26A H 0.0464 -0.3296 -0.0544 0.031 Uiso 1 1 calc R
H26B H 0.0596 -0.2593 -0.0286 0.031 Uiso 1 1 calc R
C31 C 0.15999(17) -0.35377(17) -0.03471(12) 0.0248(6) Uani 1 1 d .
H27A H 0.1790 -0.3171 -0.0519 0.030 Uiso 1 1 calc R
H27B H 0.1312 -0.3778 -0.0619 0.030 Uiso 1 1 calc R
C34 C 0.00698(16) -0.31848(16) 0.01323(13) 0.0250(6) Uani 1 1 d .
C33 C 0.21300(16) -0.39872(16) -0.01001(12) 0.0229(6) Uani 1 1 d .
C25 C 0.07228(15) -0.25525(16) 0.20177(13) 0.0229(6) Uani 1 1 d .
H30A H 0.0466 -0.2244 0.2194 0.028 Uiso 1 1 calc R
H30B H 0.0472 -0.2958 0.1952 0.028 Uiso 1 1 calc R
C27 C 0.11620(17) -0.30070(16) 0.28483(13) 0.0243(6) Uani 1 1 d .
H31A H 0.0789 -0.2780 0.2956 0.029 Uiso 1 1 calc R
H31B H 0.1526 -0.2971 0.3137 0.029 Uiso 1 1 calc R
C26 C 0.17211(16) -0.21075(15) 0.25060(13) 0.0240(6) Uani 1 1 d .
H32A H 0.1542 -0.1858 0.2777 0.029 Uiso 1 1 calc R
H32B H 0.1705 -0.1829 0.2193 0.029 Uiso 1 1 calc R
C29 C 0.09999(15) -0.37114(15) 0.27461(12) 0.0216(6) Uani 1 1 d .
C28 C 0.24176(16) -0.22912(16) 0.27083(12) 0.0228(6) Uani 1 1 d .
O1W O 0.25117(13) -0.58102(12) 0.28262(11) 0.0300(5) Uani 1 1 d .
O2W O 0.1499(2) -0.5263(2) 0.36158(12) 0.0588(11) Uani 1 1 d .
O3W O 0.2916(3) -0.5057(2) -0.1281(2) 0.108(2) Uani 1 1 d .
O4W O 0.1088(2) -0.7021(2) -0.08932(14) 0.0704(13) Uani 1 1 d .
O5W O 0.44193(14) -0.15662(14) 0.17821(13) 0.0407(7) Uani 1 1 d .
O6W O 0.0819(12) -0.5490(8) 0.2561(8) 0.391(12) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Er Er -0.2586 4.9576 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O1 Er1 O4 107.78(8) . .
O1 Er1 O10 70.10(7) . .
O4 Er1 O10 73.49(8) . .
O1 Er1 O2 78.04(8) . .
O4 Er1 O2 133.07(8) . .
O10 Er1 O2 144.46(8) . .
O1 Er1 O13 90.92(8) . .
O4 Er1 O13 149.36(8) . .
O10 Er1 O13 91.28(8) . .
O2 Er1 O13 73.54(8) . .
O1 Er1 O12 153.52(8) . .
O4 Er1 O12 77.86(8) . .
O10 Er1 O12 134.85(8) . .
O2 Er1 O12 79.64(8) . .
O13 Er1 O12 96.28(8) . .
O1 Er1 N1 81.78(8) . .
O4 Er1 N1 67.21(8) . .
O10 Er1 N1 120.84(8) . .
O2 Er1 N1 67.79(8) . .
O13 Er1 N1 141.33(8) . .
O12 Er1 N1 76.70(9) . .
O1 Er1 N3 140.28(8) . .
O4 Er1 N3 84.19(8) . .
O10 Er1 N3 77.92(8) . .
O2 Er1 N3 121.57(8) . .
O13 Er1 N3 66.43(8) . .
O12 Er1 N3 64.99(9) . .
N1 Er1 N3 136.24(8) . .
O1 Er1 Er2 35.46(5) . .
O4 Er1 Er2 93.74(6) . .
O10 Er1 Er2 34.97(5) . .
O2 Er1 Er2 110.88(6) . .
O13 Er1 Er2 87.70(6) . .
O12 Er1 Er2 169.46(6) . .
N1 Er1 Er2 106.14(6) . .
N3 Er1 Er2 108.20(6) . .
O1 Er1 Na1 77.20(6) . .
O4 Er1 Na1 169.50(6) . .
O10 Er1 Na1 117.01(6) . .
O2 Er1 Na1 37.80(6) . .
O13 Er1 Na1 36.63(6) . .
O12 Er1 Na1 93.62(6) . .
N1 Er1 Na1 105.11(6) . .
N3 Er1 Na1 97.86(6) . .
Er2 Er1 Na1 95.37(3) . .
O10 Er2 O16 105.75(8) . .
O10 Er2 O1 69.90(7) . .
O16 Er2 O1 73.01(8) . .
O10 Er2 O8 155.44(8) . .
O16 Er2 O8 77.60(9) . .
O1 Er2 O8 132.68(8) . .
O10 Er2 O6 88.15(8) . .
O16 Er2 O6 152.20(8) . .
O1 Er2 O6 90.12(8) . .
O8 Er2 O6 99.80(9) . .
O10 Er2 O17 77.62(8) . .
O16 Er2 O17 132.83(8) . .
O1 Er2 O17 143.84(8) . .
O8 Er2 O17 82.52(9) . .
O6 Er2 O17 73.04(8) . .
O10 Er2 N4 81.59(8) . .
O16 Er2 N4 66.87(9) . .
O1 Er2 N4 121.23(8) . .
O8 Er2 N4 77.46(9) . .
O6 Er2 N4 140.22(8) . .
O17 Er2 N4 67.24(8) . .
O10 Er2 N2 138.17(8) . .
O16 Er2 N2 87.47(8) . .
O1 Er2 N2 76.86(7) . .
O8 Er2 N2 65.46(8) . .
O6 Er2 N2 66.88(8) . .
O17 Er2 N2 121.82(8) . .
N4 Er2 N2 138.81(8) . .
O10 Er2 Er1 35.52(5) . .
O16 Er2 Er1 92.24(6) . .
O1 Er2 Er1 34.71(5) . .
O8 Er2 Er1 166.96(7) . .
O6 Er2 Er1 85.33(6) . .
O17 Er2 Er1 110.49(6) . .
N4 Er2 Er1 106.28(6) . .
N2 Er2 Er1 106.40(5) . .
O10 Er2 Na4 74.75(6) . 5_545
O16 Er2 Na4 170.23(6) . 5_545
O1 Er2 Na4 115.73(6) . 5_545
O8 Er2 Na4 97.89(7) . 5_545
O6 Er2 Na4 36.62(6) . 5_545
O17 Er2 Na4 37.42(6) . 5_545
N4 Er2 Na4 103.81(7) . 5_545
N2 Er2 Na4 98.61(6) . 5_545
Er1 Er2 Na4 93.36(2) . 5_545
O6W Na1 O1W 101.5(4) . .
O6W Na1 O13 89.2(5) . .
O1W Na1 O13 151.34(11) . .
O6W Na1 O2W 77.7(5) . .
O1W Na1 O2W 91.53(12) . .
O13 Na1 O2W 116.86(12) . .
O6W Na1 O2 144.8(5) . .
O1W Na1 O2 84.69(10) . .
O13 Na1 O2 71.95(9) . .
O2W Na1 O2 137.30(15) . .
O6W Na1 C29 86.8(5) . .
O1W Na1 C29 171.03(11) . .
O13 Na1 C29 23.45(8) . .
O2W Na1 C29 93.62(11) . .
O2 Na1 C29 86.55(9) . .
O6W Na1 Na3 99.7(5) . 6_546
O1W Na1 Na3 44.80(8) . 6_546
O13 Na1 Na3 159.32(9) . 6_546
O2W Na1 Na3 48.49(9) . 6_546
O2 Na1 Na3 108.33(8) . 6_546
C29 Na1 Na3 137.67(9) . 6_546
O6W Na1 Na2 33.2(4) . .
O1W Na1 Na2 134.67(10) . .
O13 Na1 Na2 59.99(8) . .
O2W Na1 Na2 80.12(10) . .
O2 Na1 Na2 130.20(9) . .
C29 Na1 Na2 53.70(8) . .
Na3 Na1 Na2 121.18(6) 6_546 .
O6W Na1 Er1 116.1(6) . .
O1W Na1 Er1 116.94(8) . .
O13 Na1 Er1 36.34(6) . .
O2W Na1 Er1 142.69(11) . .
O2 Na1 Er1 36.47(6) . .
C29 Na1 Er1 55.39(6) . .
Na3 Na1 Er1 143.65(6) 6_546 .
Na2 Na1 Er1 93.84(5) . .
O6W Na2 O6W 102.6(11) 2 .
O6W Na2 O14 93.4(5) 2 2
O6W Na2 O14 147.4(6) . 2
O6W Na2 O14 147.4(6) 2 .
O6W Na2 O14 93.4(5) . .
O14 Na2 O14 87.71(16) 2 .
O6W Na2 O7 73.7(5) 2 .
O6W Na2 O7 75.5(5) . .
O14 Na2 O7 82.23(8) 2 .
O14 Na2 O7 138.44(9) . .
O6W Na2 O7 75.5(5) 2 2
O6W Na2 O7 73.7(5) . 2
O14 Na2 O7 138.44(9) 2 2
O14 Na2 O7 82.23(8) . 2
O7 Na2 O7 129.67(14) . 2
O6W Na2 C29 86.7(6) 2 2
O6W Na2 C29 167.7(6) . 2
O14 Na2 C29 21.45(8) 2 2
O14 Na2 C29 82.55(11) . 2
O7 Na2 C29 99.86(8) . 2
O7 Na2 C29 117.00(8) 2 2
O6W Na2 C29 167.7(6) 2 .
O6W Na2 C29 86.7(6) . .
O14 Na2 C29 82.55(11) 2 .
O14 Na2 C29 21.45(8) . .
O7 Na2 C29 117.00(8) . .
O7 Na2 C29 99.86(8) 2 .
C29 Na2 C29 85.34(14) 2 .
O6W Na2 Na1 35.1(5) 2 2
O6W Na2 Na1 136.7(6) . 2
O14 Na2 Na1 59.97(7) 2 2
O14 Na2 Na1 127.28(9) . 2
O7 Na2 Na1 81.04(6) . 2
O7 Na2 Na1 95.37(6) 2 2
C29 Na2 Na1 51.73(7) 2 2
C29 Na2 Na1 136.61(10) . 2
O6W Na2 Na1 136.7(6) 2 .
O6W Na2 Na1 35.1(5) . .
O14 Na2 Na1 127.28(9) 2 .
O14 Na2 Na1 59.97(7) . .
O7 Na2 Na1 95.37(6) . .
O7 Na2 Na1 81.04(6) 2 .
C29 Na2 Na1 136.61(10) 2 .
C29 Na2 Na1 51.73(7) . .
Na1 Na2 Na1 171.63(9) 2 .
O6W Na2 Na4 116.5(5) 2 6_546
O6W Na2 Na4 99.2(5) . 6_546
O14 Na2 Na4 98.72(9) 2 6_546
O14 Na2 Na4 31.76(6) . 6_546
O7 Na2 Na4 169.53(6) . 6_546
O7 Na2 Na4 55.15(6) 2 6_546
C29 Na2 Na4 83.54(8) 2 6_546
C29 Na2 Na4 53.13(6) . 6_546
Na1 Na2 Na4 108.54(4) 2 6_546
Na1 Na2 Na4 75.69(4) . 6_546
O6W Na2 Na4 99.2(5) 2 5_545
O6W Na2 Na4 116.5(5) . 5_545
O14 Na2 Na4 31.76(6) 2 5_545
O14 Na2 Na4 98.72(9) . 5_545
O7 Na2 Na4 55.15(6) . 5_545
O7 Na2 Na4 169.53(6) 2 5_545
C29 Na2 Na4 53.13(6) 2 5_545
C29 Na2 Na4 83.54(8) . 5_545
Na1 Na2 Na4 75.69(4) 2 5_545
Na1 Na2 Na4 108.54(4) . 5_545
Na4 Na2 Na4 122.04(8) 6_546 5_545
O5 Na3 O3W 161.0(2) 7_545 .
O5 Na3 O15 105.05(11) 7_545 .
O3W Na3 O15 87.96(15) . .
O5 Na3 O1W 89.17(10) 7_545 6_545
O3W Na3 O1W 77.33(15) . 6_545
O15 Na3 O1W 165.29(12) . 6_545
O5 Na3 O2W 88.90(13) 7_545 6_545
O3W Na3 O2W 77.1(2) . 6_545
O15 Na3 O2W 90.07(11) . 6_545
O1W Na3 O2W 86.40(11) 6_545 6_545
O5 Na3 Na1 98.02(8) 7_545 6_545
O3W Na3 Na1 63.01(19) . 6_545
O15 Na3 Na1 128.17(10) . 6_545
O1W Na3 Na1 43.79(7) 6_545 6_545
O2W Na3 Na1 44.22(9) 6_545 6_545
O9 Na4 O14 112.26(11) . 6_545
O9 Na4 O4W 91.57(16) . .
O14 Na4 O4W 100.21(12) 6_545 .
O9 Na4 O6 97.04(12) . 5_545
O14 Na4 O6 93.99(10) 6_545 5_545
O4W Na4 O6 159.21(15) . 5_545
O9 Na4 O17 94.42(10) . 5_545
O14 Na4 O17 151.48(11) 6_545 5_545
O4W Na4 O17 88.46(13) . 5_545
O6 Na4 O17 72.08(9) 5_545 5_545
O9 Na4 C17 77.73(12) . 5_545
O14 Na4 C17 89.70(9) 6_545 5_545
O4W Na4 C17 167.63(13) . 5_545
O6 Na4 C17 23.07(8) 5_545 5_545
O17 Na4 C17 86.22(9) 5_545 5_545
O9 Na4 Er2 103.55(10) . 5_545
O14 Na4 Er2 122.18(8) 6_545 5_545
O4W Na4 Er2 123.07(13) . 5_545
O6 Na4 Er2 36.38(6) 5_545 5_545
O17 Na4 Er2 36.70(6) 5_545 5_545
C17 Na4 Er2 55.11(6) 5_545 5_545
O9 Na4 Na2 107.28(9) . 5_545
O14 Na4 Na2 32.97(7) 6_545 5_545
O4W Na4 Na2 133.10(10) . 5_545
O6 Na4 Na2 61.75(7) 5_545 5_545
O17 Na4 Na2 130.57(7) 5_545 5_545
C17 Na4 Na2 57.42(7) 5_545 5_545
Er2 Na4 Na2 94.31(3) 5_545 5_545
O5W Na5 O5W 127.52(18) . 2_655
C1 O1 Er1 126.62(17) . .
C1 O1 Er2 121.74(17) . .
Er1 O1 Er2 109.83(8) . .
C11 O2 Er1 125.1(2) . .
C11 O2 Na1 129.0(2) . .
Er1 O2 Na1 105.74(10) . .
C12 O4 Er1 124.6(2) . .
C12 O5 Na3 125.0(2) . 7_545
C17 O7 Na2 113.3(2) . .
C17 O6 Er2 123.0(2) . .
C17 O6 Na4 110.85(19) . 5_545
Er2 O6 Na4 107.00(9) . 5_545
C16 O8 Er2 119.7(2) . .
C16 O9 Na4 131.2(3) . .
C18 O10 Er2 127.71(18) . .
C18 O10 Er1 120.36(18) . .
Er2 O10 Er1 109.51(9) . .
C34 O17 Er2 126.0(2) . .
C34 O17 Na4 127.9(2) . 5_545
Er2 O17 Na4 105.88(9) . 5_545
C33 O16 Er2 123.1(2) . .
C33 O15 Na3 125.2(2) . .
C29 O14 Na4 130.9(2) . 6_546
C29 O14 Na2 113.5(2) . .
Na4 O14 Na2 115.27(10) 6_546 .
C29 O13 Er1 123.8(2) . .
C29 O13 Na1 109.5(2) . .
Er1 O13 Na1 107.02(10) . .
C28 O12 Er1 115.3(2) . .
C9 N1 C10 111.0(2) . .
C9 N1 C8 110.8(3) . .
C10 N1 C8 108.0(2) . .
C9 N1 Er1 110.9(2) . .
C10 N1 Er1 109.52(19) . .
C8 N1 Er1 106.47(17) . .
C14 N2 C15 110.0(2) . .
C14 N2 C13 111.9(2) . .
C15 N2 C13 107.0(2) . .
C14 N2 Er2 106.97(18) . .
C15 N2 Er2 105.39(18) . .
C13 N2 Er2 115.31(17) . .
C31 N4 C32 111.2(3) . .
C31 N4 C30 108.0(2) . .
C32 N4 C30 110.4(3) . .
C31 N4 Er2 108.28(19) . .
C32 N4 Er2 112.32(19) . .
C30 N4 Er2 106.46(17) . .
C26 N3 C27 110.8(3) . .
C26 N3 C25 112.0(3) . .
C27 N3 C25 107.5(2) . .
C26 N3 Er1 105.83(19) . .
C27 N3 Er1 106.63(19) . .
C25 N3 Er1 113.90(18) . .
O1 C1 C6 120.9(3) . .
O1 C1 C2 120.4(3) . .
C6 C1 C2 118.7(3) . .
C3 C2 C1 119.3(3) . .
C3 C2 C8 120.3(3) . .
C1 C2 C8 120.3(3) . .
C4 C3 C2 122.5(3) . .
C3 C4 C5 117.5(3) . .
C3 C4 C7 122.1(3) . .
C5 C4 C7 120.4(4) . .
C4 C5 C6 121.7(3) . .
C5 C6 C1 120.3(3) . .
C5 C6 C13 120.3(3) . .
C1 C6 C13 119.5(3) . .
C2 C8 N1 114.0(3) . .
N1 C9 C11 111.8(3) . .
N1 C10 C12 111.4(2) . .
O3 C11 O2 124.5(3) . .
O3 C11 C9 117.4(3) . .
O2 C11 C9 118.0(3) . .
O5 C12 O4 124.3(3) . .
O5 C12 C10 117.8(3) . .
O4 C12 C10 117.8(3) . .
C6 C13 N2 112.8(2) . .
N2 C14 C16 110.4(3) . .
N2 C15 C17 110.3(2) . .
O9 C16 O8 125.0(4) . .
O9 C16 C14 117.1(4) . .
O8 C16 C14 117.9(3) . .
O7 C17 O6 123.9(3) . .
O7 C17 C15 120.0(3) . .
O6 C17 C15 116.1(3) . .
O7 C17 Na4 91.1(2) . 5_545
O6 C17 Na4 46.08(15) . 5_545
C15 C17 Na4 133.7(2) . 5_545
O10 C18 C23 120.9(3) . .
O10 C18 C19 120.1(3) . .
C23 C18 C19 118.9(3) . .
C20 C19 C18 119.2(3) . .
C20 C19 C30 119.6(3) . .
C18 C19 C30 121.1(3) . .
C21 C20 C19 122.1(3) . .
C22 C21 C20 117.7(3) . .
C22 C21 C24 121.0(4) . .
C20 C21 C24 121.3(4) . .
C21 C22 C23 121.6(3) . .
C18 C23 C22 120.4(3) . .
C18 C23 C25 119.8(3) . .
C22 C23 C25 119.8(3) . .
C19 C30 N4 114.4(3) . .
N4 C32 C34 112.5(3) . .
N4 C31 C33 111.7(3) . .
O18 C34 O17 124.6(3) . .
O18 C34 C32 117.9(3) . .
O17 C34 C32 117.4(3) . .
O15 C33 O16 125.0(3) . .
O15 C33 C31 117.4(3) . .
O16 C33 C31 117.6(3) . .
N3 C25 C23 112.9(3) . .
N3 C27 C29 110.3(3) . .
N3 C26 C28 110.3(3) . .
O14 C29 O13 124.2(3) . .
O14 C29 C27 119.6(3) . .
O13 C29 C27 116.2(3) . .
O14 C29 Na1 89.6(2) . .
O13 C29 Na1 47.04(16) . .
C27 C29 Na1 134.3(2) . .
O14 C29 Na2 45.04(16) . .
O13 C29 Na2 85.03(18) . .
C27 C29 Na2 150.9(2) . .
Na1 C29 Na2 74.57(8) . .
O11 C28 O12 125.1(3) . .
O11 C28 C26 117.8(3) . .
O12 C28 C26 117.1(3) . .
Na1 O1W Na3 91.41(11) . 6_546
Na1 O2W Na3 87.29(12) . 6_546
Na2 O6W Na1 111.8(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Er1 O1 2.281(2) .
Er1 O4 2.310(2) .
Er1 O10 2.323(2) .
Er1 O2 2.330(2) .
Er1 O13 2.338(2) .
Er1 O12 2.348(2) .
Er1 N1 2.540(3) .
Er1 N3 2.553(3) .
Er1 Er2 3.7690(2) .
Er1 Na1 3.7728(15) .
Er2 O10 2.292(2) .
Er2 O16 2.317(2) .
Er2 O1 2.324(2) .
Er2 O8 2.330(2) .
Er2 O6 2.338(2) .
Er2 O17 2.342(2) .
Er2 N4 2.540(3) .
Er2 N2 2.551(3) .
Er2 Na4 3.7695(13) 5_545
Na1 O6W 2.30(2) .
Na1 O1W 2.339(3) .
Na1 O13 2.354(3) .
Na1 O2W 2.359(4) .
Na1 O2 2.402(3) .
Na1 C29 3.032(4) .
Na1 Na3 3.378(2) 6_546
Na1 Na2 3.7229(17) .
Na2 O6W 2.19(2) 2
Na2 O6W 2.19(2) .
Na2 O14 2.402(3) 2
Na2 O14 2.402(3) .
Na2 O7 2.798(3) .
Na2 O7 2.798(3) 2
Na2 C29 3.113(4) 2
Na2 C29 3.113(4) .
Na2 Na1 3.7229(17) 2
Na2 Na4 3.9916(19) 6_546
Na2 Na4 3.9916(19) 5_545
Na3 O5 2.319(3) 7_545
Na3 O3W 2.326(5) .
Na3 O15 2.337(3) .
Na3 O1W 2.381(3) 6_545
Na3 O2W 2.533(4) 6_545
Na3 Na1 3.378(2) 6_545
Na4 O9 2.317(3) .
Na4 O14 2.324(3) 6_545
Na4 O4W 2.332(4) .
Na4 O6 2.351(3) 5_545
Na4 O17 2.382(3) 5_545
Na4 C17 3.051(3) 5_545
Na4 Er2 3.7695(13) 5_545
Na4 Na2 3.9916(19) 5_545
Na5 O5W 2.303(3) .
Na5 O5W 2.303(3) 2_655
O1 C1 1.346(3) .
O2 C11 1.256(4) .
O3 C11 1.253(4) .
O4 C12 1.268(4) .
O5 C12 1.241(4) .
O5 Na3 2.319(3) 7_545
O7 C17 1.243(4) .
O6 C17 1.279(4) .
O6 Na4 2.351(3) 5_545
O8 C16 1.270(5) .
O9 C16 1.253(4) .
O10 C18 1.352(4) .
O18 C34 1.240(4) .
O17 C34 1.274(4) .
O17 Na4 2.382(3) 5_545
O16 C33 1.265(4) .
O15 C33 1.249(4) .
O14 C29 1.241(4) .
O14 Na4 2.324(3) 6_546
O13 C29 1.280(4) .
O12 C28 1.282(4) .
O11 C28 1.246(4) .
N1 C9 1.478(4) .
N1 C10 1.482(4) .
N1 C8 1.498(4) .
N2 C14 1.471(4) .
N2 C15 1.480(4) .
N2 C13 1.501(4) .
N4 C31 1.470(4) .
N4 C32 1.484(4) .
N4 C30 1.502(4) .
N3 C26 1.476(4) .
N3 C27 1.480(4) .
N3 C25 1.495(4) .
C1 C6 1.402(4) .
C1 C2 1.412(4) .
C2 C3 1.394(5) .
C2 C8 1.495(4) .
C3 C4 1.392(5) .
C4 C5 1.393(5) .
C4 C7 1.518(5) .
C5 C6 1.395(4) .
C6 C13 1.497(4) .
C9 C11 1.518(5) .
C10 C12 1.516(4) .
C14 C16 1.515(5) .
C15 C17 1.504(5) .
C17 Na4 3.051(3) 5_545
C18 C23 1.395(4) .
C18 C19 1.414(4) .
C19 C20 1.402(5) .
C19 C30 1.489(5) .
C20 C21 1.395(6) .
C21 C22 1.388(6) .
C21 C24 1.513(6) .
C22 C23 1.400(5) .
C23 C25 1.497(5) .
C32 C34 1.512(5) .
C31 C33 1.516(5) .
C27 C29 1.504(4) .
C26 C28 1.531(5) .
O1W Na3 2.381(3) 6_546
O2W Na3 2.533(4) 6_546
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
O1 Er1 Er2 O10 -169.64(13) . .
O4 Er1 Er2 O10 -53.81(11) . .
O2 Er1 Er2 O10 166.95(11) . .
O13 Er1 Er2 O10 95.54(11) . .
O12 Er1 Er2 O10 -17.0(3) . .
N1 Er1 Er2 O10 -121.16(11) . .
N3 Er1 Er2 O10 31.29(11) . .
Na1 Er1 Er2 O10 131.40(10) . .
O1 Er1 Er2 O16 -55.26(11) . .
O4 Er1 Er2 O16 60.57(8) . .
O10 Er1 Er2 O16 114.38(11) . .
O2 Er1 Er2 O16 -78.67(9) . .
O13 Er1 Er2 O16 -150.08(8) . .
O12 Er1 Er2 O16 97.4(3) . .
N1 Er1 Er2 O16 -6.78(8) . .
N3 Er1 Er2 O16 145.67(8) . .
Na1 Er1 Er2 O16 -114.22(6) . .
O4 Er1 Er2 O1 115.82(11) . .
O10 Er1 Er2 O1 169.64(13) . .
O2 Er1 Er2 O1 -23.41(11) . .
O13 Er1 Er2 O1 -94.82(11) . .
O12 Er1 Er2 O1 152.7(3) . .
N1 Er1 Er2 O1 48.48(11) . .
N3 Er1 Er2 O1 -159.07(11) . .
Na1 Er1 Er2 O1 -58.96(10) . .
O1 Er1 Er2 O8 -16.8(3) . .
O4 Er1 Er2 O8 99.0(3) . .
O10 Er1 Er2 O8 152.8(3) . .
O2 Er1 Er2 O8 -40.2(3) . .
O13 Er1 Er2 O8 -111.6(3) . .
O12 Er1 Er2 O8 135.9(4) . .
N1 Er1 Er2 O8 31.7(3) . .
N3 Er1 Er2 O8 -175.9(3) . .
Na1 Er1 Er2 O8 -75.8(3) . .
O1 Er1 Er2 O6 96.99(11) . .
O4 Er1 Er2 O6 -147.18(8) . .
O10 Er1 Er2 O6 -93.37(11) . .
O2 Er1 Er2 O6 73.58(8) . .
O13 Er1 Er2 O6 2.17(8) . .
O12 Er1 Er2 O6 -110.3(3) . .
N1 Er1 Er2 O6 145.47(8) . .
N3 Er1 Er2 O6 -62.08(8) . .
Na1 Er1 Er2 O6 38.03(6) . .
O1 Er1 Er2 O17 166.93(11) . .
O4 Er1 Er2 O17 -77.25(8) . .
O10 Er1 Er2 O17 -23.43(11) . .
O2 Er1 Er2 O17 143.52(9) . .
O13 Er1 Er2 O17 72.11(8) . .
O12 Er1 Er2 O17 -40.4(3) . .
N1 Er1 Er2 O17 -144.59(8) . .
N3 Er1 Er2 O17 7.86(8) . .
Na1 Er1 Er2 O17 107.97(6) . .
O1 Er1 Er2 N4 -121.80(11) . .
O4 Er1 Er2 N4 -5.98(9) . .
O10 Er1 Er2 N4 47.84(11) . .
O2 Er1 Er2 N4 -145.21(9) . .
O13 Er1 Er2 N4 143.38(9) . .
O12 Er1 Er2 N4 30.9(3) . .
N1 Er1 Er2 N4 -73.32(9) . .
N3 Er1 Er2 N4 79.13(9) . .
Na1 Er1 Er2 N4 179.24(7) . .
O1 Er1 Er2 N2 32.76(11) . .
O4 Er1 Er2 N2 148.59(8) . .
O10 Er1 Er2 N2 -157.60(11) . .
O2 Er1 Er2 N2 9.35(8) . .
O13 Er1 Er2 N2 -62.06(8) . .
O12 Er1 Er2 N2 -174.6(3) . .
N1 Er1 Er2 N2 81.24(8) . .
N3 Er1 Er2 N2 -126.31(8) . .
Na1 Er1 Er2 N2 -26.20(6) . .
O1 Er1 Er2 Na4 132.76(9) . 5_545
O4 Er1 Er2 Na4 -111.42(6) . 5_545
O10 Er1 Er2 Na4 -57.61(10) . 5_545
O2 Er1 Er2 Na4 109.35(7) . 5_545
O13 Er1 Er2 Na4 37.93(6) . 5_545
O12 Er1 Er2 Na4 -74.6(3) . 5_545
N1 Er1 Er2 Na4 -178.76(6) . 5_545
N3 Er1 Er2 Na4 -26.31(6) . 5_545
Na1 Er1 Er2 Na4 73.80(3) . 5_545
O1 Er1 Na1 O6W -63.3(4) . .
O4 Er1 Na1 O6W 177.2(5) . .
O10 Er1 Na1 O6W -3.8(4) . .
O2 Er1 Na1 O6W -150.2(4) . .
O13 Er1 Na1 O6W 46.2(4) . .
O12 Er1 Na1 O6W 141.8(4) . .
N1 Er1 Na1 O6W -141.0(4) . .
N3 Er1 Na1 O6W 76.6(4) . .
Er2 Er1 Na1 O6W -32.7(4) . .
O1 Er1 Na1 O1W 56.51(11) . .
O4 Er1 Na1 O1W -63.0(4) . .
O10 Er1 Na1 O1W 116.01(11) . .
O2 Er1 Na1 O1W -30.42(13) . .
O13 Er1 Na1 O1W 165.97(16) . .
O12 Er1 Na1 O1W -98.37(12) . .
N1 Er1 Na1 O1W -21.18(12) . .
N3 Er1 Na1 O1W -163.59(11) . .
Er2 Er1 Na1 O1W 87.15(10) . .
O1 Er1 Na1 O13 -109.46(12) . .
O4 Er1 Na1 O13 131.0(4) . .
O10 Er1 Na1 O13 -49.96(12) . .
O2 Er1 Na1 O13 163.61(15) . .
O12 Er1 Na1 O13 95.66(12) . .
N1 Er1 Na1 O13 172.85(12) . .
N3 Er1 Na1 O13 30.44(12) . .
Er2 Er1 Na1 O13 -78.82(10) . .
O1 Er1 Na1 O2W -167.7(2) . .
O4 Er1 Na1 O2W 72.8(4) . .
O10 Er1 Na1 O2W -108.2(2) . .
O2 Er1 Na1 O2W 105.3(2) . .
O13 Er1 Na1 O2W -58.3(2) . .
O12 Er1 Na1 O2W 37.4(2) . .
N1 Er1 Na1 O2W 114.6(2) . .
N3 Er1 Na1 O2W -27.8(2) . .
Er2 Er1 Na1 O2W -137.09(19) . .
O1 Er1 Na1 O2 86.92(11) . .
O4 Er1 Na1 O2 -32.6(4) . .
O10 Er1 Na1 O2 146.42(11) . .
O13 Er1 Na1 O2 -163.61(15) . .
O12 Er1 Na1 O2 -67.95(12) . .
N1 Er1 Na1 O2 9.24(12) . .
N3 Er1 Na1 O2 -133.18(12) . .
Er2 Er1 Na1 O2 117.57(10) . .
O1 Er1 Na1 C29 -128.92(9) . .
O4 Er1 Na1 C29 111.6(4) . .
O10 Er1 Na1 C29 -69.41(10) . .
O2 Er1 Na1 C29 144.16(13) . .
O13 Er1 Na1 C29 -19.45(12) . .
O12 Er1 Na1 C29 76.21(10) . .
N1 Er1 Na1 C29 153.40(10) . .
N3 Er1 Na1 C29 10.98(10) . .
Er2 Er1 Na1 C29 -98.27(8) . .
O1 Er1 Na1 Na3 105.79(11) . 6_546
O4 Er1 Na1 Na3 -13.7(4) . 6_546
O10 Er1 Na1 Na3 165.29(10) . 6_546
O2 Er1 Na1 Na3 18.87(12) . 6_546
O13 Er1 Na1 Na3 -144.74(16) . 6_546
O12 Er1 Na1 Na3 -49.08(11) . 6_546
N1 Er1 Na1 Na3 28.11(12) . 6_546
N3 Er1 Na1 Na3 -114.31(11) . 6_546
Er2 Er1 Na1 Na3 136.44(9) . 6_546
O1 Er1 Na1 Na2 -89.03(6) . .
O4 Er1 Na1 Na2 151.5(3) . .
O10 Er1 Na1 Na2 -29.53(8) . .
O2 Er1 Na1 Na2 -175.95(12) . .
O13 Er1 Na1 Na2 20.44(10) . .
O12 Er1 Na1 Na2 116.10(7) . .
N1 Er1 Na1 Na2 -166.71(7) . .
N3 Er1 Na1 Na2 50.87(7) . .
Er2 Er1 Na1 Na2 -58.38(4) . .
O6W Na1 Na2 O6W 16.8(17) . 2
O1W Na1 Na2 O6W 16.6(8) . 2
O13 Na1 Na2 O6W 165.2(8) . 2
O2W Na1 Na2 O6W -65.7(8) . 2
O2 Na1 Na2 O6W 148.2(8) . 2
C29 Na1 Na2 O6W -167.7(8) . 2
Na3 Na1 Na2 O6W -38.8(8) 6_546 2
Er1 Na1 Na2 O6W 151.4(8) . 2
O1W Na1 Na2 O6W -0.2(9) . .
O13 Na1 Na2 O6W 148.4(9) . .
O2W Na1 Na2 O6W -82.5(9) . .
O2 Na1 Na2 O6W 131.4(9) . .
C29 Na1 Na2 O6W 175.5(9) . .
Na3 Na1 Na2 O6W -55.6(9) 6_546 .
Er1 Na1 Na2 O6W 134.6(9) . .
O6W Na1 Na2 O14 -139.4(9) . 2
O1W Na1 Na2 O14 -139.61(15) . 2
O13 Na1 Na2 O14 9.03(12) . 2
O2W Na1 Na2 O14 138.09(14) . 2
O2 Na1 Na2 O14 -7.95(16) . 2
C29 Na1 Na2 O14 36.11(13) . 2
Na3 Na1 Na2 O14 165.00(9) 6_546 2
Er1 Na1 Na2 O14 -4.80(11) . 2
O6W Na1 Na2 O14 160.5(9) . .
O1W Na1 Na2 O14 160.24(15) . .
O13 Na1 Na2 O14 -51.11(10) . .
O2W Na1 Na2 O14 77.95(13) . .
O2 Na1 Na2 O14 -68.09(12) . .
C29 Na1 Na2 O14 -24.03(10) . .
Na3 Na1 Na2 O14 104.85(10) 6_546 .
Er1 Na1 Na2 O14 -64.94(7) . .
O6W Na1 Na2 O7 -55.1(9) . .
O1W Na1 Na2 O7 -55.29(15) . .
O13 Na1 Na2 O7 93.35(10) . .
O2W Na1 Na2 O7 -137.59(13) . .
O2 Na1 Na2 O7 76.37(14) . .
C29 Na1 Na2 O7 120.44(11) . .
Na3 Na1 Na2 O7 -110.68(8) 6_546 .
Er1 Na1 Na2 O7 79.52(8) . .
O6W Na1 Na2 O7 74.3(9) . 2
O1W Na1 Na2 O7 74.08(14) . 2
O13 Na1 Na2 O7 -137.28(11) . 2
O2W Na1 Na2 O7 -8.22(12) . 2
O2 Na1 Na2 O7 -154.26(12) . 2
C29 Na1 Na2 O7 -110.19(10) . 2
Na3 Na1 Na2 O7 18.69(10) 6_546 2
Er1 Na1 Na2 O7 -151.11(7) . 2
O6W Na1 Na2 C29 -165.5(9) . 2
O1W Na1 Na2 C29 -165.77(14) . 2
O13 Na1 Na2 C29 -17.13(12) . 2
O2W Na1 Na2 C29 111.93(13) . 2
O2 Na1 Na2 C29 -34.11(15) . 2
C29 Na1 Na2 C29 9.95(16) . 2
Na3 Na1 Na2 C29 138.84(9) 6_546 2
Er1 Na1 Na2 C29 -30.96(10) . 2
O6W Na1 Na2 C29 -175.5(9) . .
O1W Na1 Na2 C29 -175.73(16) . .
O13 Na1 Na2 C29 -27.09(10) . .
O2W Na1 Na2 C29 101.98(13) . .
O2 Na1 Na2 C29 -44.06(12) . .
Na3 Na1 Na2 C29 128.88(10) 6_546 .
Er1 Na1 Na2 C29 -40.91(7) . .
O6W Na1 Na2 Na1 9.2(9) . 2
O1W Na1 Na2 Na1 8.92(12) . 2
O13 Na1 Na2 Na1 157.56(7) . 2
O2W Na1 Na2 Na1 -73.38(10) . 2
O2 Na1 Na2 Na1 140.58(11) . 2
C29 Na1 Na2 Na1 -175.36(8) . 2
Na3 Na1 Na2 Na1 -46.47(6) 6_546 2
Er1 Na1 Na2 Na1 143.73(3) . 2
O6W Na1 Na2 Na4 130.5(9) . 6_546
O1W Na1 Na2 Na4 130.25(13) . 6_546
O13 Na1 Na2 Na4 -81.11(8) . 6_546
O2W Na1 Na2 Na4 47.95(11) . 6_546
O2 Na1 Na2 Na4 -98.09(11) . 6_546
C29 Na1 Na2 Na4 -54.02(8) . 6_546
Na3 Na1 Na2 Na4 74.86(7) 6_546 6_546
Er1 Na1 Na2 Na4 -94.94(4) . 6_546
O6W Na1 Na2 Na4 -110.0(9) . 5_545
O1W Na1 Na2 Na4 -110.28(13) . 5_545
O13 Na1 Na2 Na4 38.36(9) . 5_545
O2W Na1 Na2 Na4 167.42(12) . 5_545
O2 Na1 Na2 Na4 21.38(13) . 5_545
C29 Na1 Na2 Na4 65.45(9) . 5_545
Na3 Na1 Na2 Na4 -165.67(6) 6_546 5_545
Er1 Na1 Na2 Na4 24.54(6) . 5_545
O4 Er1 O1 C1 94.1(2) . .
O10 Er1 O1 C1 158.4(2) . .
O2 Er1 O1 C1 -37.6(2) . .
O13 Er1 O1 C1 -110.5(2) . .
O12 Er1 O1 C1 -4.4(3) . .
N1 Er1 O1 C1 31.4(2) . .
N3 Er1 O1 C1 -163.2(2) . .
Er2 Er1 O1 C1 164.7(3) . .
Na1 Er1 O1 C1 -76.3(2) . .
O4 Er1 O1 Er2 -70.61(10) . .
O10 Er1 O1 Er2 -6.29(8) . .
O2 Er1 O1 Er2 157.70(10) . .
O13 Er1 O1 Er2 84.74(10) . .
O12 Er1 O1 Er2 -169.15(13) . .
N1 Er1 O1 Er2 -133.39(10) . .
N3 Er1 O1 Er2 32.07(16) . .
Na1 Er1 O1 Er2 118.98(9) . .
O10 Er2 O1 C1 -159.2(2) . .
O16 Er2 O1 C1 -44.8(2) . .
O8 Er2 O1 C1 9.3(3) . .
O6 Er2 O1 C1 112.8(2) . .
O17 Er2 O1 C1 173.34(19) . .
N4 Er2 O1 C1 -93.1(2) . .
N2 Er2 O1 C1 46.6(2) . .
Er1 Er2 O1 C1 -165.6(3) . .
Na4 Er2 O1 C1 139.93(19) 5_545 .
O10 Er2 O1 Er1 6.39(8) . .
O16 Er2 O1 Er1 120.85(11) . .
O8 Er2 O1 Er1 174.90(9) . .
O6 Er2 O1 Er1 -81.60(10) . .
O17 Er2 O1 Er1 -21.04(17) . .
N4 Er2 O1 Er1 72.56(12) . .
N2 Er2 O1 Er1 -147.78(10) . .
Na4 Er2 O1 Er1 -54.45(10) 5_545 .
O1 Er1 O2 C11 91.7(3) . .
O4 Er1 O2 C11 -11.6(3) . .
O10 Er1 O2 C11 118.2(3) . .
O13 Er1 O2 C11 -173.7(3) . .
O12 Er1 O2 C11 -74.0(3) . .
N1 Er1 O2 C11 5.8(3) . .
N3 Er1 O2 C11 -125.9(3) . .
Er2 Er1 O2 C11 105.3(3) . .
Na1 Er1 O2 C11 176.1(3) . .
O1 Er1 O2 Na1 -84.46(10) . .
O4 Er1 O2 Na1 172.29(9) . .
O10 Er1 O2 Na1 -57.97(17) . .
O13 Er1 O2 Na1 10.11(9) . .
O12 Er1 O2 Na1 109.89(11) . .
N1 Er1 O2 Na1 -170.36(13) . .
N3 Er1 O2 Na1 57.98(13) . .
Er2 Er1 O2 Na1 -70.83(10) . .
O6W Na1 O2 C11 -125.3(8) . .
O1W Na1 O2 C11 -22.9(3) . .
O13 Na1 O2 C11 173.9(3) . .
O2W Na1 O2 C11 63.6(3) . .
C29 Na1 O2 C11 155.2(3) . .
Na3 Na1 O2 C11 15.7(3) 6_546 .
Na2 Na1 O2 C11 -170.6(3) . .
Er1 Na1 O2 C11 -175.9(3) . .
O6W Na1 O2 Er1 50.6(7) . .
O1W Na1 O2 Er1 153.05(11) . .
O13 Na1 O2 Er1 -10.13(9) . .
O2W Na1 O2 Er1 -120.46(16) . .
C29 Na1 O2 Er1 -28.86(10) . .
Na3 Na1 O2 Er1 -168.35(7) 6_546 .
Na2 Na1 O2 Er1 5.30(15) . .
O1 Er1 O4 C12 -91.7(2) . .
O10 Er1 O4 C12 -153.8(3) . .
O2 Er1 O4 C12 -1.6(3) . .
O13 Er1 O4 C12 143.2(2) . .
O12 Er1 O4 C12 61.5(2) . .
N1 Er1 O4 C12 -19.0(2) . .
N3 Er1 O4 C12 127.1(2) . .
Er2 Er1 O4 C12 -125.0(2) . .
Na1 Er1 O4 C12 25.3(5) . .
O6W Na2 O7 C17 173.9(6) 2 .
O6W Na2 O7 C17 -78.0(6) . .
O14 Na2 O7 C17 78.0(2) 2 .
O14 Na2 O7 C17 0.4(3) . .
O7 Na2 O7 C17 -131.7(2) 2 .
C29 Na2 O7 C17 90.3(2) 2 .
C29 Na2 O7 C17 0.5(3) . .
Na1 Na2 O7 C17 138.7(2) 2 .
Na1 Na2 O7 C17 -48.9(2) . .
Na4 Na2 O7 C17 -17.9(7) 6_546 .
Na4 Na2 O7 C17 59.9(2) 5_545 .
O10 Er2 O6 C17 -163.5(2) . .
O16 Er2 O6 C17 -42.1(3) . .
O1 Er2 O6 C17 -93.6(2) . .
O8 Er2 O6 C17 39.9(2) . .
O17 Er2 O6 C17 118.9(2) . .
N4 Er2 O6 C17 122.0(2) . .
N2 Er2 O6 C17 -17.9(2) . .
Er1 Er2 O6 C17 -128.0(2) . .
Na4 Er2 O6 C17 130.0(3) 5_545 .
O10 Er2 O6 Na4 66.56(10) . 5_545
O16 Er2 O6 Na4 -172.04(13) . 5_545
O1 Er2 O6 Na4 136.45(10) . 5_545
O8 Er2 O6 Na4 -90.06(11) . 5_545
O17 Er2 O6 Na4 -11.06(10) . 5_545
N4 Er2 O6 Na4 -7.93(18) . 5_545
N2 Er2 O6 Na4 -147.91(12) . 5_545
Er1 Er2 O6 Na4 102.03(9) . 5_545
O10 Er2 O8 C16 158.8(2) . .
O16 Er2 O8 C16 58.0(2) . .
O1 Er2 O8 C16 5.5(3) . .
O6 Er2 O8 C16 -93.8(3) . .
O17 Er2 O8 C16 -165.1(3) . .
N4 Er2 O8 C16 126.7(3) . .
N2 Er2 O8 C16 -34.9(2) . .
Er1 Er2 O8 C16 18.5(5) . .
Na4 Er2 O8 C16 -130.8(2) 5_545 .
O14 Na4 O9 C16 159.3(4) 6_545 .
O4W Na4 O9 C16 -99.0(4) . .
O6 Na4 O9 C16 62.0(4) 5_545 .
O17 Na4 O9 C16 -10.4(4) 5_545 .
C17 Na4 O9 C16 74.7(4) 5_545 .
Er2 Na4 O9 C16 25.6(4) 5_545 .
Na2 Na4 O9 C16 124.6(4) 5_545 .
O16 Er2 O10 C18 91.1(2) . .
O1 Er2 O10 C18 155.9(2) . .
O8 Er2 O10 C18 -3.5(4) . .
O6 Er2 O10 C18 -113.3(2) . .
O17 Er2 O10 C18 -40.3(2) . .
N4 Er2 O10 C18 28.1(2) . .
N2 Er2 O10 C18 -164.6(2) . .
Er1 Er2 O10 C18 162.1(3) . .
Na4 Er2 O10 C18 -78.8(2) 5_545 .
O16 Er2 O10 Er1 -71.02(10) . .
O1 Er2 O10 Er1 -6.26(8) . .
O8 Er2 O10 Er1 -165.64(16) . .
O6 Er2 O10 Er1 84.55(10) . .
O17 Er2 O10 Er1 157.58(10) . .
N4 Er2 O10 Er1 -134.01(10) . .
N2 Er2 O10 Er1 33.24(15) . .
Na4 Er2 O10 Er1 119.11(9) 5_545 .
O1 Er1 O10 C18 -157.3(2) . .
O4 Er1 O10 C18 -40.8(2) . .
O2 Er1 O10 C18 175.06(19) . .
O13 Er1 O10 C18 112.2(2) . .
O12 Er1 O10 C18 12.0(3) . .
N1 Er1 O10 C18 -90.4(2) . .
N3 Er1 O10 C18 46.6(2) . .
Er2 Er1 O10 C18 -163.7(3) . .
Na1 Er1 O10 C18 139.39(19) . .
O1 Er1 O10 Er2 6.37(8) . .
O4 Er1 O10 Er2 122.86(11) . .
O2 Er1 O10 Er2 -21.28(18) . .
O13 Er1 O10 Er2 -84.14(10) . .
O12 Er1 O10 Er2 175.68(9) . .
N1 Er1 O10 Er2 73.21(11) . .
N3 Er1 O10 Er2 -149.70(10) . .
Na1 Er1 O10 Er2 -56.95(10) . .
O10 Er2 O17 C34 93.4(3) . .
O16 Er2 O17 C34 -6.7(3) . .
O1 Er2 O17 C34 119.7(3) . .
O8 Er2 O17 C34 -72.1(3) . .
O6 Er2 O17 C34 -174.8(3) . .
N4 Er2 O17 C34 7.4(3) . .
N2 Er2 O17 C34 -127.0(3) . .
Er1 Er2 O17 C34 107.1(3) . .
Na4 Er2 O17 C34 174.4(3) 5_545 .
O10 Er2 O17 Na4 -81.01(10) . 5_545
O16 Er2 O17 Na4 178.89(9) . 5_545
O1 Er2 O17 Na4 -54.72(17) . 5_545
O8 Er2 O17 Na4 113.53(11) . 5_545
O6 Er2 O17 Na4 10.85(10) . 5_545
N4 Er2 O17 Na4 -166.98(13) . 5_545
N2 Er2 O17 Na4 58.59(13) . 5_545
Er1 Er2 O17 Na4 -67.33(10) . 5_545
O10 Er2 O16 C33 -97.7(3) . .
O1 Er2 O16 C33 -160.4(3) . .
O8 Er2 O16 C33 57.2(3) . .
O6 Er2 O16 C33 144.7(2) . .
O17 Er2 O16 C33 -10.2(3) . .
N4 Er2 O16 C33 -24.3(2) . .
N2 Er2 O16 C33 122.6(3) . .
Er1 Er2 O16 C33 -131.1(2) . .
Na4 Er2 O16 C33 -6.2(6) 5_545 .
O5 Na3 O15 C33 33.7(3) 7_545 .
O3W Na3 O15 C33 -132.3(3) . .
O1W Na3 O15 C33 -131.1(5) 6_545 .
O2W Na3 O15 C33 -55.1(3) 6_545 .
Na1 Na3 O15 C33 -79.5(3) 6_545 .
O6W Na2 O14 C29 -168.1(10) 2 .
O6W Na2 O14 C29 72.1(6) . .
O14 Na2 O14 C29 -75.3(2) 2 .
O7 Na2 O14 C29 0.2(3) . .
O7 Na2 O14 C29 145.1(2) 2 .
C29 Na2 O14 C29 -96.2(3) 2 .
Na1 Na2 O14 C29 -124.1(2) 2 .
Na1 Na2 O14 C29 61.0(2) . .
Na4 Na2 O14 C29 174.0(3) 6_546 .
Na4 Na2 O14 C29 -45.5(2) 5_545 .
O6W Na2 O14 Na4 17.9(10) 2 6_546
O6W Na2 O14 Na4 -101.9(6) . 6_546
O14 Na2 O14 Na4 110.65(15) 2 6_546
O7 Na2 O14 Na4 -173.76(13) . 6_546
O7 Na2 O14 Na4 -28.92(12) 2 6_546
C29 Na2 O14 Na4 89.75(13) 2 6_546
C29 Na2 O14 Na4 -174.0(3) . 6_546
Na1 Na2 O14 Na4 61.93(16) 2 6_546
Na1 Na2 O14 Na4 -113.03(13) . 6_546
Na4 Na2 O14 Na4 140.54(10) 5_545 6_546
O1 Er1 O13 C29 -164.5(3) . .
O4 Er1 O13 C29 -35.7(3) . .
O10 Er1 O13 C29 -94.4(3) . .
O2 Er1 O13 C29 118.3(3) . .
O12 Er1 O13 C29 41.1(3) . .
N1 Er1 O13 C29 117.6(3) . .
N3 Er1 O13 C29 -18.1(2) . .
Er2 Er1 O13 C29 -129.2(2) . .
Na1 Er1 O13 C29 128.7(3) . .
O1 Er1 O13 Na1 66.86(10) . .
O4 Er1 O13 Na1 -164.36(12) . .
O10 Er1 O13 Na1 136.97(10) . .
O2 Er1 O13 Na1 -10.39(10) . .
O12 Er1 O13 Na1 -87.61(11) . .
N1 Er1 O13 Na1 -11.09(18) . .
N3 Er1 O13 Na1 -146.81(13) . .
Er2 Er1 O13 Na1 102.18(9) . .
O6W Na1 O13 C29 83.9(5) . .
O1W Na1 O13 C29 -163.3(3) . .
O2W Na1 O13 C29 8.2(3) . .
O2 Na1 O13 C29 -126.3(2) . .
Na3 Na1 O13 C29 -32.1(4) 6_546 .
Na2 Na1 O13 C29 67.26(19) . .
Er1 Na1 O13 C29 -136.5(2) . .
O6W Na1 O13 Er1 -139.6(4) . .
O1W Na1 O13 Er1 -26.8(3) . .
O2W Na1 O13 Er1 144.70(15) . .
O2 Na1 O13 Er1 10.16(9) . .
C29 Na1 O13 Er1 136.5(2) . .
Na3 Na1 O13 Er1 104.3(2) 6_546 .
Na2 Na1 O13 Er1 -156.28(11) . .
O1 Er1 O12 C28 151.6(2) . .
O4 Er1 O12 C28 46.0(2) . .
O10 Er1 O12 C28 -5.4(3) . .
O2 Er1 O12 C28 -175.5(2) . .
O13 Er1 O12 C28 -103.5(2) . .
N1 Er1 O12 C28 115.1(2) . .
N3 Er1 O12 C28 -43.2(2) . .
Er2 Er1 O12 C28 8.2(5) . .
Na1 Er1 O12 C28 -140.2(2) . .
O1 Er1 N1 C9 -98.3(2) . .
O4 Er1 N1 C9 148.4(2) . .
O10 Er1 N1 C9 -159.19(19) . .
O2 Er1 N1 C9 -17.9(2) . .
O13 Er1 N1 C9 -17.2(3) . .
O12 Er1 N1 C9 66.2(2) . .
N3 Er1 N1 C9 95.1(2) . .
Er2 Er1 N1 C9 -124.4(2) . .
Na1 Er1 N1 C9 -24.0(2) . .
O1 Er1 N1 C10 138.8(2) . .
O4 Er1 N1 C10 25.52(18) . .
O10 Er1 N1 C10 77.9(2) . .
O2 Er1 N1 C10 -140.8(2) . .
O13 Er1 N1 C10 -140.08(18) . .
O12 Er1 N1 C10 -56.72(19) . .
N3 Er1 N1 C10 -27.8(2) . .
Er2 Er1 N1 C10 112.78(18) . .
Na1 Er1 N1 C10 -146.91(18) . .
O1 Er1 N1 C8 22.33(18) . .
O4 Er1 N1 C8 -90.96(19) . .
O10 Er1 N1 C8 -38.5(2) . .
O2 Er1 N1 C8 102.71(19) . .
O13 Er1 N1 C8 103.4(2) . .
O12 Er1 N1 C8 -173.20(19) . .
N3 Er1 N1 C8 -144.26(18) . .
Er2 Er1 N1 C8 -3.70(19) . .
Na1 Er1 N1 C8 96.61(18) . .
O10 Er2 N2 C14 -152.35(18) . .
O16 Er2 N2 C14 -41.37(19) . .
O1 Er2 N2 C14 -114.51(19) . .
O8 Er2 N2 C14 36.15(19) . .
O6 Er2 N2 C14 149.6(2) . .
O17 Er2 N2 C14 99.3(2) . .
N4 Er2 N2 C14 8.3(2) . .
Er1 Er2 N2 C14 -132.96(18) . .
Na4 Er2 N2 C14 130.94(18) 5_545 .
O10 Er2 N2 C15 90.5(2) . .
O16 Er2 N2 C15 -158.48(18) . .
O1 Er2 N2 C15 128.38(19) . .
O8 Er2 N2 C15 -80.95(19) . .
O6 Er2 N2 C15 32.52(17) . .
O17 Er2 N2 C15 -17.8(2) . .
N4 Er2 N2 C15 -108.82(19) . .
Er1 Er2 N2 C15 109.93(17) . .
Na4 Er2 N2 C15 13.83(18) 5_545 .
O10 Er2 N2 C13 -27.2(2) . .
O16 Er2 N2 C13 83.83(19) . .
O1 Er2 N2 C13 10.69(18) . .
O8 Er2 N2 C13 161.4(2) . .
O6 Er2 N2 C13 -85.17(19) . .
O17 Er2 N2 C13 -135.50(18) . .
N4 Er2 N2 C13 133.49(19) . .
Er1 Er2 N2 C13 -7.76(19) . .
Na4 Er2 N2 C13 -103.86(18) 5_545 .
O10 Er2 N4 C31 140.6(2) . .
O16 Er2 N4 C31 29.38(19) . .
O1 Er2 N4 C31 80.3(2) . .
O8 Er2 N4 C31 -52.3(2) . .
O6 Er2 N4 C31 -142.64(19) . .
O17 Er2 N4 C31 -139.4(2) . .
N2 Er2 N4 C31 -26.5(2) . .
Er1 Er2 N4 C31 114.77(19) . .
Na4 Er2 N4 C31 -147.50(18) 5_545 .
O10 Er2 N4 C32 -96.3(2) . .
O16 Er2 N4 C32 152.5(2) . .
O1 Er2 N4 C32 -156.5(2) . .
O8 Er2 N4 C32 70.8(2) . .
O6 Er2 N4 C32 -19.5(3) . .
O17 Er2 N4 C32 -16.2(2) . .
N2 Er2 N4 C32 96.7(2) . .
Er1 Er2 N4 C32 -122.1(2) . .
Na4 Er2 N4 C32 -24.3(2) 5_545 .
O10 Er2 N4 C30 24.66(19) . .
O16 Er2 N4 C30 -86.53(19) . .
O1 Er2 N4 C30 -35.6(2) . .
O8 Er2 N4 C30 -168.2(2) . .
O6 Er2 N4 C30 101.4(2) . .
O17 Er2 N4 C30 104.7(2) . .
N2 Er2 N4 C30 -142.42(18) . .
Er1 Er2 N4 C30 -1.1(2) . .
Na4 Er2 N4 C30 96.59(18) 5_545 .
O1 Er1 N3 C26 -150.14(18) . .
O4 Er1 N3 C26 -39.2(2) . .
O10 Er1 N3 C26 -113.5(2) . .
O2 Er1 N3 C26 98.8(2) . .
O13 Er1 N3 C26 149.7(2) . .
O12 Er1 N3 C26 40.13(19) . .
N1 Er1 N3 C26 8.8(3) . .
Er2 Er1 N3 C26 -131.21(18) . .
Na1 Er1 N3 C26 130.46(19) . .
O1 Er1 N3 C27 91.8(2) . .
O4 Er1 N3 C27 -157.2(2) . .
O10 Er1 N3 C27 128.4(2) . .
O2 Er1 N3 C27 -19.2(2) . .
O13 Er1 N3 C27 31.65(18) . .
O12 Er1 N3 C27 -77.9(2) . .
N1 Er1 N3 C27 -109.2(2) . .
Er2 Er1 N3 C27 110.72(18) . .
Na1 Er1 N3 C27 12.40(19) . .
O1 Er1 N3 C25 -26.6(3) . .
O4 Er1 N3 C25 84.4(2) . .
O10 Er1 N3 C25 10.05(19) . .
O2 Er1 N3 C25 -137.64(19) . .
O13 Er1 N3 C25 -86.8(2) . .
O12 Er1 N3 C25 163.7(2) . .
N1 Er1 N3 C25 132.35(19) . .
Er2 Er1 N3 C25 -7.7(2) . .
Na1 Er1 N3 C25 -106.01(19) . .
Er1 O1 C1 C6 134.3(2) . .
Er2 O1 C1 C6 -62.6(3) . .
Er1 O1 C1 C2 -46.5(4) . .
Er2 O1 C1 C2 116.6(3) . .
O1 C1 C2 C3 178.8(3) . .
C6 C1 C2 C3 -2.0(5) . .
O1 C1 C2 C8 -4.3(4) . .
C6 C1 C2 C8 174.9(3) . .
C1 C2 C3 C4 0.8(6) . .
C8 C2 C3 C4 -176.1(4) . .
C2 C3 C4 C5 0.7(7) . .
C2 C3 C4 C7 179.3(5) . .
C3 C4 C5 C6 -1.0(6) . .
C7 C4 C5 C6 -179.6(5) . .
C4 C5 C6 C1 -0.2(6) . .
C4 C5 C6 C13 179.6(4) . .
O1 C1 C6 C5 -179.1(3) . .
C2 C1 C6 C5 1.7(5) . .
O1 C1 C6 C13 1.1(4) . .
C2 C1 C6 C13 -178.1(3) . .
C3 C2 C8 N1 -111.1(4) . .
C1 C2 C8 N1 71.9(4) . .
C9 N1 C8 C2 51.1(3) . .
C10 N1 C8 C2 172.9(3) . .
Er1 N1 C8 C2 -69.6(3) . .
C10 N1 C9 C11 149.6(3) . .
C8 N1 C9 C11 -90.4(3) . .
Er1 N1 C9 C11 27.6(3) . .
C9 N1 C10 C12 -154.0(3) . .
C8 N1 C10 C12 84.3(3) . .
Er1 N1 C10 C12 -31.2(3) . .
Er1 O2 C11 O3 -175.9(3) . .
Na1 O2 C11 O3 -0.7(6) . .
Er1 O2 C11 C9 8.0(4) . .
Na1 O2 C11 C9 -176.8(2) . .
N1 C9 C11 O3 158.7(3) . .
N1 C9 C11 O2 -24.9(5) . .
Na3 O5 C12 O4 12.2(4) 7_545 .
Na3 O5 C12 C10 -164.9(2) 7_545 .
Er1 O4 C12 O5 -169.2(2) . .
Er1 O4 C12 C10 7.9(4) . .
N1 C10 C12 O5 -164.4(3) . .
N1 C10 C12 O4 18.3(4) . .
C5 C6 C13 N2 -115.7(3) . .
C1 C6 C13 N2 64.1(4) . .
C14 N2 C13 C6 63.8(3) . .
C15 N2 C13 C6 -175.6(2) . .
Er2 N2 C13 C6 -58.8(3) . .
C15 N2 C14 C16 76.9(3) . .
C13 N2 C14 C16 -164.3(2) . .
Er2 N2 C14 C16 -37.1(3) . .
C14 N2 C15 C17 -160.5(3) . .
C13 N2 C15 C17 77.7(3) . .
Er2 N2 C15 C17 -45.5(3) . .
Na4 O9 C16 O8 -90.4(4) . .
Na4 O9 C16 C14 91.1(4) . .
Er2 O8 C16 O9 -151.9(3) . .
Er2 O8 C16 C14 26.7(4) . .
N2 C14 C16 O9 -170.1(3) . .
N2 C14 C16 O8 11.2(4) . .
Na2 O7 C17 O6 -33.7(4) . .
Na2 O7 C17 C15 147.6(2) . .
Na2 O7 C17 Na4 -68.37(16) . 5_545
Er2 O6 C17 O7 179.6(2) . .
Na4 O6 C17 O7 -52.1(4) 5_545 .
Er2 O6 C17 C15 -1.7(4) . .
Na4 O6 C17 C15 126.6(2) 5_545 .
Er2 O6 C17 Na4 -128.3(3) . 5_545
N2 C15 C17 O7 -146.4(3) . .
N2 C15 C17 O6 34.9(4) . .
N2 C15 C17 Na4 88.0(3) . 5_545
Er2 O10 C18 C23 137.7(2) . .
Er1 O10 C18 C23 -61.8(3) . .
Er2 O10 C18 C19 -44.7(4) . .
Er1 O10 C18 C19 115.8(3) . .
O10 C18 C19 C20 -178.5(3) . .
C23 C18 C19 C20 -0.8(5) . .
O10 C18 C19 C30 -2.9(4) . .
C23 C18 C19 C30 174.7(3) . .
C18 C19 C20 C21 0.3(5) . .
C30 C19 C20 C21 -175.3(3) . .
C19 C20 C21 C22 0.9(6) . .
C19 C20 C21 C24 -179.0(4) . .
C20 C21 C22 C23 -1.5(6) . .
C24 C21 C22 C23 178.3(4) . .
O10 C18 C23 C22 177.8(3) . .
C19 C18 C23 C22 0.2(5) . .
O10 C18 C23 C25 0.2(4) . .
C19 C18 C23 C25 -177.4(3) . .
C21 C22 C23 C18 1.0(5) . .
C21 C22 C23 C25 178.7(3) . .
C20 C19 C30 N4 -114.5(3) . .
C18 C19 C30 N4 69.9(4) . .
C31 N4 C30 C19 173.4(3) . .
C32 N4 C30 C19 51.6(3) . .
Er2 N4 C30 C19 -70.5(3) . .
C31 N4 C32 C34 145.1(3) . .
C30 N4 C32 C34 -95.1(3) . .
Er2 N4 C32 C34 23.6(3) . .
C32 N4 C31 C33 -158.0(3) . .
C30 N4 C31 C33 80.8(3) . .
Er2 N4 C31 C33 -34.1(3) . .
Er2 O17 C34 O18 179.7(3) . .
Na4 O17 C34 O18 -7.1(5) 5_545 .
Er2 O17 C34 C32 3.3(4) . .
Na4 O17 C34 C32 176.5(2) 5_545 .
N4 C32 C34 O18 164.4(3) . .
N4 C32 C34 O17 -18.9(4) . .
Na3 O15 C33 O16 158.0(3) . .
Na3 O15 C33 C31 -20.5(4) . .
Er2 O16 C33 O15 -164.9(3) . .
Er2 O16 C33 C31 13.6(4) . .
N4 C31 C33 O15 -164.3(3) . .
N4 C31 C33 O16 17.1(4) . .
C26 N3 C25 C23 61.2(3) . .
C27 N3 C25 C23 -176.8(3) . .
Er1 N3 C25 C23 -58.9(3) . .
C18 C23 C25 N3 66.3(4) . .
C22 C23 C25 N3 -111.3(3) . .
C26 N3 C27 C29 -158.3(3) . .
C25 N3 C27 C29 78.9(3) . .
Er1 N3 C27 C29 -43.6(3) . .
C27 N3 C26 C28 78.7(3) . .
C25 N3 C26 C28 -161.2(3) . .
Er1 N3 C26 C28 -36.5(3) . .
Na4 O14 C29 O13 138.5(3) 6_546 .
Na2 O14 C29 O13 -34.3(4) . .
Na4 O14 C29 C27 -38.6(5) 6_546 .
Na2 O14 C29 C27 148.6(3) . .
Na4 O14 C29 Na1 104.5(2) 6_546 .
Na2 O14 C29 Na1 -68.36(17) . .
Na4 O14 C29 Na2 172.8(4) 6_546 .
Er1 O13 C29 O14 -177.5(2) . .
Na1 O13 C29 O14 -49.9(4) . .
Er1 O13 C29 C27 -0.3(4) . .
Na1 O13 C29 C27 127.3(3) . .
Er1 O13 C29 Na1 -127.6(3) . .
Er1 O13 C29 Na2 158.88(17) . .
Na1 O13 C29 Na2 -73.50(13) . .
N3 C27 C29 O14 -150.4(3) . .
N3 C27 C29 O13 32.3(4) . .
N3 C27 C29 Na1 86.8(3) . .
N3 C27 C29 Na2 -101.0(4) . .
O6W Na1 C29 O14 45.5(5) . .
O1W Na1 C29 O14 -156.8(7) . .
O13 Na1 C29 O14 140.7(3) . .
O2W Na1 C29 O14 -31.9(2) . .
O2 Na1 C29 O14 -169.1(2) . .
Na3 Na1 C29 O14 -55.5(2) 6_546 .
Na2 Na1 C29 O14 43.02(17) . .
Er1 Na1 C29 O14 170.5(2) . .
O6W Na1 C29 O13 -95.2(5) . .
O1W Na1 C29 O13 62.4(8) . .
O2W Na1 C29 O13 -172.6(2) . .
O2 Na1 C29 O13 50.1(2) . .
Na3 Na1 C29 O13 163.8(2) 6_546 .
Na2 Na1 C29 O13 -97.7(2) . .
Er1 Na1 C29 O13 29.73(18) . .
O6W Na1 C29 C27 178.6(6) . .
O1W Na1 C29 C27 -23.8(9) . .
O13 Na1 C29 C27 -86.2(3) . .
O2W Na1 C29 C27 101.2(3) . .
O2 Na1 C29 C27 -36.0(3) . .
Na3 Na1 C29 C27 77.6(3) 6_546 .
Na2 Na1 C29 C27 176.1(3) . .
Er1 Na1 C29 C27 -56.5(3) . .
O6W Na1 C29 Na2 2.5(5) . .
O1W Na1 C29 Na2 160.1(7) . .
O13 Na1 C29 Na2 97.7(2) . .
O2W Na1 C29 Na2 -74.94(13) . .
O2 Na1 C29 Na2 147.85(9) . .
Na3 Na1 C29 Na2 -98.48(11) 6_546 .
Er1 Na1 C29 Na2 127.44(8) . .
O6W Na2 C29 O14 31(3) 2 .
O6W Na2 C29 O14 -108.0(6) . .
O14 Na2 C29 O14 102.9(3) 2 .
O7 Na2 C29 O14 -179.8(2) . .
O7 Na2 C29 O14 -35.1(2) 2 .
C29 Na2 C29 O14 81.5(2) 2 .
Na1 Na2 C29 O14 73.6(3) 2 .
Na1 Na2 C29 O14 -105.4(3) . .
Na4 Na2 C29 O14 -3.9(2) 6_546 .
Na4 Na2 C29 O14 134.8(2) 5_545 .
O6W Na2 C29 O13 -176(2) 2 .
O6W Na2 C29 O13 44.1(6) . .
O14 Na2 C29 O13 -105.05(19) 2 .
O14 Na2 C29 O13 152.1(4) . .
O7 Na2 C29 O13 -27.7(2) . .
O7 Na2 C29 O13 116.93(19) 2 .
C29 Na2 C29 O13 -126.4(2) 2 .
Na1 Na2 C29 O13 -134.27(16) 2 .
Na1 Na2 C29 O13 46.72(16) . .
Na4 Na2 C29 O13 148.1(2) 6_546 .
Na4 Na2 C29 O13 -73.07(18) 5_545 .
O6W Na2 C29 C27 -37(3) 2 .
O6W Na2 C29 C27 -176.9(7) . .
O14 Na2 C29 C27 34.0(4) 2 .
O14 Na2 C29 C27 -68.9(5) . .
O7 Na2 C29 C27 111.3(4) . .
O7 Na2 C29 C27 -104.0(4) 2 .
C29 Na2 C29 C27 12.6(4) 2 .
Na1 Na2 C29 C27 4.8(5) 2 .
Na1 Na2 C29 C27 -174.3(5) . .
Na4 Na2 C29 C27 -72.8(4) 6_546 .
Na4 Na2 C29 C27 66.0(4) 5_545 .
O6W Na2 C29 Na1 137(2) 2 .
O6W Na2 C29 Na1 -2.6(5) . .
O14 Na2 C29 Na1 -151.77(9) 2 .
O14 Na2 C29 Na1 105.4(3) . .
O7 Na2 C29 Na1 -74.45(11) . .
O7 Na2 C29 Na1 70.22(9) 2 .
C29 Na2 C29 Na1 -173.16(11) 2 .
Na1 Na2 C29 Na1 179.02(2) 2 .
Na4 Na2 C29 Na1 101.43(8) 6_546 .
Na4 Na2 C29 Na1 -119.78(6) 5_545 .
Er1 O12 C28 O11 -139.7(3) . .
Er1 O12 C28 C26 38.8(3) . .
N3 C26 C28 O11 -178.7(3) . .
N3 C26 C28 O12 2.7(4) . .
O6W Na1 O1W Na3 -92.3(5) . 6_546
O13 Na1 O1W Na3 157.8(2) . 6_546
O2W Na1 O1W Na3 -14.58(14) . 6_546
O2 Na1 O1W Na3 122.80(10) . 6_546
C29 Na1 O1W Na3 110.5(7) . 6_546
Na2 Na1 O1W Na3 -92.16(13) . 6_546
Er1 Na1 O1W Na3 140.39(8) . 6_546
O6W Na1 O2W Na3 115.1(5) . 6_546
O1W Na1 O2W Na3 13.70(13) . 6_546
O13 Na1 O2W Na3 -162.22(11) . 6_546
O2 Na1 O2W Na3 -70.1(2) . 6_546
C29 Na1 O2W Na3 -158.95(12) . 6_546
Na2 Na1 O2W Na3 148.87(13) . 6_546
Er1 Na1 O2W Na3 -127.82(13) . 6_546
O6W Na2 O6W Na1 -168.3(12) 2 .
O14 Na2 O6W Na1 74.2(13) 2 .
O14 Na2 O6W Na1 -16.8(8) . .
O7 Na2 O6W Na1 122.5(9) . .
O7 Na2 O6W Na1 -97.7(8) 2 .
C29 Na2 O6W Na1 53(3) 2 .
C29 Na2 O6W Na1 3.5(7) . .
Na1 Na2 O6W Na1 -178.1(2) 2 .
Na4 Na2 O6W Na1 -48.3(8) 6_546 .
Na4 Na2 O6W Na1 84.7(8) 5_545 .
O1W Na1 O6W Na2 179.8(7) . .
O13 Na1 O6W Na2 -27.0(8) . .
O2W Na1 O6W Na2 90.8(8) . .
O2 Na1 O6W Na2 -83.1(9) . .
C29 Na1 O6W Na2 -3.6(8) . .
Na3 Na1 O6W Na2 134.2(7) 6_546 .
Er1 Na1 O6W Na2 -52.3(9) . .
