#------------------------------------------------------------------------------
#$Date: 2016-03-26 18:08:36 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180413 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/82/7208224.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_7208224
loop_
_publ_author_name
'Yan, Xuhuan'
'Yan, Zhenzhong'
'Zhang, Ye'
'Liu, Weisheng'
'Tang, Yu'
'Tan, Minyu'
_publ_section_title
;
 Anions make the difference: conversion from zero- to one-dimensional
 structures and luminescent properties of lanthanide-based complexes
;
_journal_issue                   15
_journal_name_full               CrystEngComm
_journal_page_first              4989
_journal_paper_doi               10.1039/c2ce25210d
_journal_volume                  14
_journal_year                    2012
_chemical_formula_sum            'C59 H51 Er N12 O26'
_chemical_formula_weight         1511.38
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                96.6430(10)
_cell_angle_beta                 108.9350(10)
_cell_angle_gamma                114.1490(10)
_cell_formula_units_Z            2
_cell_length_a                   13.7022(10)
_cell_length_b                   15.7923(11)
_cell_length_c                   17.4802(12)
_cell_measurement_reflns_used    4017
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      21.24
_cell_measurement_theta_min      2.30
_cell_volume                     3126.6(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0277
_diffrn_reflns_av_sigmaI/netI    0.0654
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            16763
_diffrn_reflns_theta_full        25.93
_diffrn_reflns_theta_max         25.93
_diffrn_reflns_theta_min         1.69
_exptl_absorpt_coefficient_mu    1.439
_exptl_absorpt_correction_T_max  0.7240
_exptl_absorpt_correction_T_min  0.7150
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.605
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1530
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.874
_refine_diff_density_min         -0.519
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.197
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     888
_refine_ls_number_reflns         11806
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.197
_refine_ls_R_factor_all          0.0643
_refine_ls_R_factor_gt           0.0449
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0630
_refine_ls_wR_factor_ref         0.0676
_reflns_number_gt                9117
_reflns_number_total             11806
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce25210d.txt
_cod_data_source_block           852910
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7208224
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 1.1449(3) 0.4502(3) 0.8443(3) 0.0471(11) Uani 1 1 d .
C2 C 1.1509(4) 0.4183(3) 0.7702(3) 0.0701(14) Uani 1 1 d .
H2 H 1.0956 0.4117 0.7188 0.084 Uiso 1 1 calc R
C3 C 1.2289(4) 0.4598(3) 0.9186(3) 0.0731(14) Uani 1 1 d .
H3 H 1.2261 0.4813 0.9692 0.088 Uiso 1 1 calc R
C4 C 1.2389(5) 0.3961(4) 0.7720(4) 0.097(2) Uani 1 1 d .
H4 H 1.2420 0.3736 0.7218 0.117 Uiso 1 1 calc R
C5 C 1.3177(4) 0.4384(4) 0.9206(4) 0.0915(18) Uani 1 1 d .
H5 H 1.3739 0.4455 0.9718 0.110 Uiso 1 1 calc R
C6 C 1.3212(5) 0.4070(4) 0.8471(5) 0.105(2) Uani 1 1 d .
H6 H 1.3808 0.3926 0.8476 0.126 Uiso 1 1 calc R
C7 C 1.1662(3) 0.9637(3) 0.6675(2) 0.0436(10) Uani 1 1 d .
C8 C 1.0566(3) 0.8952(3) 0.6669(2) 0.0428(10) Uani 1 1 d .
C9 C 0.9669(3) 0.9231(3) 0.6367(2) 0.0449(10) Uani 1 1 d .
C10 C 0.9820(4) 1.0044(3) 0.6106(2) 0.0522(11) Uani 1 1 d .
H10 H 0.9201 1.0180 0.5905 0.063 Uiso 1 1 calc R
C11 C 1.0910(4) 1.0655(3) 0.6148(3) 0.0530(11) Uani 1 1 d .
C12 C 0.8533(4) 0.6498(3) 0.5153(3) 0.0763(15) Uani 1 1 d .
H12A H 0.9293 0.7056 0.5316 0.092 Uiso 1 1 calc R
H12B H 0.7936 0.6660 0.4846 0.092 Uiso 1 1 calc R
C13 C 1.1821(4) 1.0445(3) 0.6425(2) 0.0507(11) Uani 1 1 d .
H13 H 1.2547 1.0859 0.6440 0.061 Uiso 1 1 calc R
C14 C 1.1082(4) -0.0212(3) 0.8754(3) 0.0545(12) Uani 1 1 d .
C15 C 1.2033(4) -0.0354(3) 0.8826(3) 0.0685(14) Uani 1 1 d .
H15 H 1.1956 -0.0972 0.8795 0.082 Uiso 1 1 calc R
C16 C 1.1231(5) 0.0722(4) 0.8820(3) 0.0802(16) Uani 1 1 d .
C17 C 1.3204(6) 0.1292(5) 0.8966(4) 0.118(3) Uani 1 1 d .
H17 H 1.3911 0.1792 0.9022 0.142 Uiso 1 1 calc R
C18 C 1.3095(4) 0.0394(5) 0.8943(3) 0.100(2) Uani 1 1 d .
H18 H 1.3731 0.0286 0.9006 0.120 Uiso 1 1 calc R
C19 C 1.2300(5) 0.1473(4) 0.8906(4) 0.114(3) Uani 1 1 d .
H19 H 1.2389 0.2092 0.8923 0.137 Uiso 1 1 calc R
C20 C 0.7581(3) 0.3749(3) 0.6588(3) 0.0440(10) Uani 1 1 d .
C21 C 0.6833(4) 0.2930(3) 0.6732(3) 0.0521(11) Uani 1 1 d .
C22 C 0.7158(4) 0.3949(3) 0.5839(3) 0.0663(13) Uani 1 1 d .
H22 H 0.7652 0.4488 0.5733 0.080 Uiso 1 1 calc R
C23 C 0.5672(4) 0.2361(3) 0.6142(4) 0.0734(15) Uani 1 1 d .
H23 H 0.5161 0.1828 0.6244 0.088 Uiso 1 1 calc R
C24 C 0.5294(5) 0.2599(4) 0.5408(4) 0.0925(19) Uani 1 1 d .
H24 H 0.4522 0.2219 0.5014 0.111 Uiso 1 1 calc R
C25 C 0.6024(5) 0.3375(4) 0.5246(3) 0.0877(17) Uani 1 1 d .
H25 H 0.5762 0.3517 0.4741 0.105 Uiso 1 1 calc R
C26 C 0.5959(3) 0.4908(3) 0.6963(2) 0.0425(10) Uani 1 1 d .
C27 C 0.7199(3) 0.5516(3) 0.7470(2) 0.0402(10) Uani 1 1 d .
C28 C 0.5767(4) 0.3916(3) 0.7870(3) 0.0481(11) Uani 1 1 d .
C29 C 0.7620(3) 0.5250(3) 0.8209(2) 0.0415(10) Uani 1 1 d .
C30 C 0.5272(3) 0.4128(3) 0.7155(3) 0.0468(11) Uani 1 1 d .
H30 H 0.4479 0.3747 0.6805 0.056 Uiso 1 1 calc R
C31 C 0.6928(3) 0.4471(3) 0.8402(2) 0.0460(10) Uani 1 1 d .
H31 H 0.7244 0.4321 0.8891 0.055 Uiso 1 1 calc R
C32 C 0.5393(6) -0.1555(6) 0.7215(5) 0.133(3) Uani 1 1 d .
H32 H 0.4873 -0.1747 0.6653 0.159 Uiso 1 1 calc R
C33 C 0.6260(5) -0.1805(4) 0.7418(4) 0.0864(17) Uani 1 1 d .
H33 H 0.6349 -0.2146 0.6998 0.104 Uiso 1 1 calc R
C34 C 0.7005(4) -0.1550(3) 0.8248(3) 0.0551(12) Uani 1 1 d .
C35 C 0.6858(4) -0.1049(3) 0.8849(3) 0.0677(13) Uani 1 1 d .
H35 H 0.7350 -0.0883 0.9416 0.081 Uiso 1 1 calc R
C36 C 0.5978(6) -0.0784(4) 0.8624(5) 0.103(2) Uani 1 1 d .
H36 H 0.5883 -0.0434 0.9034 0.124 Uiso 1 1 calc R
C37 C 0.5264(7) -0.1040(6) 0.7801(7) 0.142(5) Uani 1 1 d .
H37 H 0.4679 -0.0858 0.7641 0.170 Uiso 1 1 calc R
C38 C 1.2292(3) 0.7092(3) 0.8217(2) 0.0400(10) Uani 1 1 d .
C39 C 1.2475(3) 0.6759(3) 0.7506(3) 0.0422(10) Uani 1 1 d .
C40 C 1.3388(4) 0.6553(3) 0.7588(3) 0.0520(11) Uani 1 1 d .
H40 H 1.3490 0.6350 0.7111 0.062 Uiso 1 1 calc R
C41 C 1.4133(3) 0.6649(3) 0.8366(3) 0.0514(11) Uani 1 1 d .
C42 C 1.3151(3) 0.7205(3) 0.8996(3) 0.0497(11) Uani 1 1 d .
C43 C 1.4042(3) 0.6990(3) 0.9091(3) 0.0562(12) Uani 1 1 d .
H43 H 1.4569 0.7070 0.9623 0.067 Uiso 1 1 calc R
C44 C 0.8803(3) 0.4450(3) 0.7196(3) 0.0433(10) Uani 1 1 d .
C46 C 1.0525(3) 0.4786(3) 0.8466(3) 0.0556(12) Uani 1 1 d .
H46A H 1.0469 0.4775 0.9004 0.067 Uiso 1 1 calc R
H46B H 1.0778 0.5445 0.8433 0.067 Uiso 1 1 calc R
C48 C 0.9974(3) -0.1086(3) 0.8575(3) 0.0486(11) Uani 1 1 d .
C50 C 0.7971(4) -0.1822(3) 0.8502(3) 0.0788(16) Uani 1 1 d .
H50A H 0.8013 -0.2040 0.9003 0.095 Uiso 1 1 calc R
H50B H 0.7800 -0.2352 0.8053 0.095 Uiso 1 1 calc R
C67 C 0.7842(4) 0.1055(3) 0.6568(3) 0.0594(12) Uani 1 1 d .
C68 C 0.8197(4) 0.0898(3) 0.7433(3) 0.0756(15) Uani 1 1 d .
H68A H 0.7544 0.0342 0.7442 0.091 Uiso 1 1 calc R
H68B H 0.8843 0.0752 0.7537 0.091 Uiso 1 1 calc R
C69 C 0.8521(4) 0.1878(4) 0.6424(4) 0.0726(15) Uani 1 1 d .
H69 H 0.9212 0.2349 0.6868 0.087 Uiso 1 1 calc R
C70 C 0.8224(6) 0.2035(5) 0.5655(5) 0.097(2) Uani 1 1 d .
H70 H 0.8705 0.2610 0.5582 0.117 Uiso 1 1 calc R
C71 C 0.7226(8) 0.1357(6) 0.4988(5) 0.115(2) Uani 1 1 d .
H71 H 0.7014 0.1467 0.4462 0.138 Uiso 1 1 calc R
C72 C 0.6543(6) 0.0513(6) 0.5105(4) 0.114(2) Uani 1 1 d .
H72 H 0.5867 0.0038 0.4653 0.137 Uiso 1 1 calc R
C73 C 0.6848(5) 0.0358(4) 0.5893(4) 0.0890(17) Uani 1 1 d .
H73 H 0.6377 -0.0221 0.5966 0.107 Uiso 1 1 calc R
C74 C 0.7558(5) 0.1725(4) 0.8282(4) 0.099(2) Uani 1 1 d .
H74A H 0.7856 0.2250 0.8782 0.118 Uiso 1 1 calc R
H74B H 0.7170 0.1122 0.8404 0.118 Uiso 1 1 calc R
C75 C 0.6679(4) 0.1811(3) 0.7579(4) 0.0825(17) Uani 1 1 d .
H75A H 0.6389 0.1310 0.7064 0.099 Uiso 1 1 calc R
H75B H 0.6022 0.1747 0.7711 0.099 Uiso 1 1 calc R
C76 C 0.8446(4) 0.5666(4) 0.4592(3) 0.105(2) Uani 1 1 d .
H76A H 0.8963 0.5448 0.4913 0.158 Uiso 1 1 calc R
H76B H 0.8665 0.5864 0.4148 0.158 Uiso 1 1 calc R
H76C H 0.7654 0.5148 0.4352 0.158 Uiso 1 1 calc R
C77 C 0.9422(7) 0.1829(4) 0.8936(4) 0.132(3) Uani 1 1 d .
H77A H 0.9646 0.2419 0.9345 0.158 Uiso 1 1 calc R
H77B H 0.9042 0.1289 0.9135 0.158 Uiso 1 1 calc R
C78 C 1.0460(6) 0.1841(4) 0.8920(4) 0.137(3) Uani 1 1 d .
H78A H 1.1122 0.2253 0.9452 0.164 Uiso 1 1 calc R
H78B H 1.0620 0.2099 0.8471 0.164 Uiso 1 1 calc R
Er1 Er 0.966324(16) 0.691347(13) 0.733535(13) 0.04212(7) Uani 1 1 d .
N1 N 1.3032(4) 0.7555(4) 0.9761(3) 0.0715(12) Uani 1 1 d .
N2 N 1.1701(3) 0.6629(2) 0.6662(2) 0.0535(9) Uani 1 1 d .
N3 N 0.8493(3) 0.8618(3) 0.6308(3) 0.0648(11) Uani 1 1 d .
N4 N 1.2678(3) 0.9465(3) 0.6952(2) 0.0613(10) Uani 1 1 d .
N5 N 1.1090(4) 1.1526(3) 0.5877(3) 0.0767(12) Uani 1 1 d .
N6 N 0.8843(3) 0.5812(3) 0.8823(2) 0.0541(10) Uani 1 1 d .
N7 N 0.5054(4) 0.3083(3) 0.8082(3) 0.0675(11) Uani 1 1 d .
N8 N 0.5373(3) 0.5142(3) 0.6223(3) 0.0678(11) Uani 1 1 d .
N9 N 1.5093(4) 0.6408(3) 0.8456(3) 0.0726(13) Uani 1 1 d .
N10 N 0.9371(3) 0.4162(2) 0.7792(2) 0.0507(9) Uani 1 1 d .
H10A H 0.9028 0.3563 0.7777 0.061 Uiso 1 1 calc R
N11 N 0.8555(4) 0.1748(3) 0.8118(3) 0.0734(12) Uani 1 1 d .
N12 N 0.9105(3) -0.0991(2) 0.8677(2) 0.0653(11) Uani 1 1 d .
H12 H 0.9208 -0.0417 0.8853 0.078 Uiso 1 1 calc R
O1 O 1.0728(2) 0.65680(19) 0.65234(17) 0.0539(7) Uani 1 1 d .
O2 O 1.1467(2) 0.72862(17) 0.81944(16) 0.0435(7) Uani 1 1 d .
O3 O 1.0417(2) 0.82008(18) 0.68961(17) 0.0563(8) Uani 1 1 d .
O4 O 0.7825(2) 0.62140(18) 0.72620(16) 0.0500(7) Uani 1 1 d .
O5 O 0.8389(3) 0.6288(2) 0.5898(2) 0.0585(9) Uani 1 1 d .
O6 O 0.9287(2) 0.52962(18) 0.71478(16) 0.0522(7) Uani 1 1 d .
O7 O 0.9874(2) -0.19060(19) 0.83548(17) 0.0520(7) Uani 1 1 d .
O9 O 0.9577(2) 0.64087(19) 0.86510(17) 0.0558(8) Uani 1 1 d .
O10 O 1.3624(3) 1.0119(2) 0.7065(2) 0.0930(12) Uani 1 1 d .
O11 O 1.2032(3) 0.6583(2) 0.6094(2) 0.0841(11) Uani 1 1 d .
O12 O 1.2344(3) 0.6953(3) 0.9961(2) 0.1167(16) Uani 1 1 d .
O13 O 1.3575(4) 0.8384(3) 1.0123(3) 0.1352(18) Uani 1 1 d .
O14 O 1.2557(3) 0.8692(3) 0.7050(3) 0.1202(16) Uani 1 1 d .
O15 O 0.7714(3) 0.8719(3) 0.5888(4) 0.159(2) Uani 1 1 d .
O16 O 0.8329(3) 0.7998(3) 0.6665(3) 0.1033(13) Uani 1 1 d .
O17 O 1.2055(3) 1.2049(3) 0.5919(3) 0.1248(16) Uani 1 1 d .
O18 O 0.4076(3) 0.2527(2) 0.7565(2) 0.1016(13) Uani 1 1 d .
O19 O 0.9105(3) 0.5658(3) 0.9511(2) 0.0996(13) Uani 1 1 d .
O20 O 0.5942(3) 0.5684(3) 0.5914(2) 0.1022(13) Uani 1 1 d .
O21 O 0.4326(3) 0.4773(3) 0.5934(2) 0.1227(16) Uani 1 1 d .
O22 O 0.5462(3) 0.3000(3) 0.8780(3) 0.1176(15) Uani 1 1 d .
O23 O 1.0257(4) 1.1658(3) 0.5573(3) 0.1224(16) Uani 1 1 d .
O24 O 1.5776(3) 0.6552(3) 0.9169(3) 0.0998(13) Uani 1 1 d .
O25 O 1.5122(3) 0.6067(3) 0.7813(3) 0.1023(14) Uani 1 1 d .
O26 O 0.7267(2) 0.27552(19) 0.7478(2) 0.0592(8) Uani 1 1 d .
O27 O 1.0298(3) 0.0864(2) 0.8780(2) 0.1012(13) Uani 1 1 d .
H5A H 0.777(3) 0.610(2) 0.588(2) 0.031(12) Uiso 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'
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
C3 C1 C2 118.0(4) . .
C3 C1 C46 119.4(4) . .
C2 C1 C46 122.6(4) . .
C1 C2 C4 120.1(5) . .
C1 C2 H2 119.9 . .
C4 C2 H2 119.9 . .
C1 C3 C5 122.1(5) . .
C1 C3 H3 119.0 . .
C5 C3 H3 119.0 . .
C6 C4 C2 120.3(6) . .
C6 C4 H4 119.9 . .
C2 C4 H4 119.9 . .
C6 C5 C3 118.7(6) . .
C6 C5 H5 120.6 . .
C3 C5 H5 120.6 . .
C5 C6 C4 120.9(6) . .
C5 C6 H6 119.6 . .
C4 C6 H6 119.6 . .
C13 C7 C8 123.9(4) . .
C13 C7 N4 116.4(4) . .
C8 C7 N4 119.8(4) . .
O3 C8 C9 124.2(4) . .
O3 C8 C7 123.9(4) . .
C9 C8 C7 111.9(4) . .
C10 C9 C8 124.5(4) . .
C10 C9 N3 115.7(4) . .
C8 C9 N3 119.7(4) . .
C9 C10 C11 118.7(4) . .
C9 C10 H10 120.7 . .
C11 C10 H10 120.7 . .
C13 C11 C10 121.0(4) . .
C13 C11 N5 119.5(4) . .
C10 C11 N5 119.5(4) . .
O5 C12 C76 111.9(4) . .
O5 C12 H12A 109.2 . .
C76 C12 H12A 109.2 . .
O5 C12 H12B 109.2 . .
C76 C12 H12B 109.2 . .
H12A C12 H12B 107.9 . .
C7 C13 C11 120.0(4) . .
C7 C13 H13 120.0 . .
C11 C13 H13 120.0 . .
C15 C14 C16 117.8(4) . .
C15 C14 C48 116.4(4) . .
C16 C14 C48 125.8(4) . .
C18 C15 C14 121.8(5) . .
C18 C15 H15 119.1 . .
C14 C15 H15 119.1 . .
O27 C16 C14 117.5(4) . .
O27 C16 C19 122.4(6) . .
C14 C16 C19 120.1(6) . .
C19 C17 C18 121.2(6) . .
C19 C17 H17 119.4 . .
C18 C17 H17 119.4 . .
C17 C18 C15 119.4(6) . .
C17 C18 H18 120.3 . .
C15 C18 H18 120.3 . .
C17 C19 C16 119.6(6) . .
C17 C19 H19 120.2 . .
C16 C19 H19 120.2 . .
C22 C20 C21 118.3(4) . .
C22 C20 C44 116.8(4) . .
C21 C20 C44 124.8(4) . .
O26 C21 C20 117.1(4) . .
O26 C21 C23 122.9(4) . .
C20 C21 C23 119.9(5) . .
C25 C22 C20 121.9(5) . .
C25 C22 H22 119.1 . .
C20 C22 H22 119.1 . .
C24 C23 C21 119.3(5) . .
C24 C23 H23 120.3 . .
C21 C23 H23 120.3 . .
C25 C24 C23 121.4(5) . .
C25 C24 H24 119.3 . .
C23 C24 H24 119.3 . .
C24 C25 C22 119.2(5) . .
C24 C25 H25 120.4 . .
C22 C25 H25 120.4 . .
C30 C26 C27 123.3(4) . .
C30 C26 N8 116.8(4) . .
C27 C26 N8 119.8(4) . .
O4 C27 C29 124.7(4) . .
O4 C27 C26 122.0(4) . .
C29 C27 C26 113.2(3) . .
C30 C28 C31 121.7(4) . .
C30 C28 N7 119.9(4) . .
C31 C28 N7 118.5(4) . .
C31 C29 C27 123.3(4) . .
C31 C29 N6 115.6(4) . .
C27 C29 N6 121.1(3) . .
C28 C30 C26 119.0(4) . .
C28 C30 H30 120.5 . .
C26 C30 H30 120.5 . .
C28 C31 C29 119.5(4) . .
C28 C31 H31 120.2 . .
C29 C31 H31 120.2 . .
C37 C32 C33 121.7(9) . .
C37 C32 H32 119.1 . .
C33 C32 H32 119.1 . .
C32 C33 C34 119.3(6) . .
C32 C33 H33 120.3 . .
C34 C33 H33 120.3 . .
C35 C34 C33 119.2(5) . .
C35 C34 C50 119.7(5) . .
C33 C34 C50 121.1(5) . .
C34 C35 C36 120.4(5) . .
C34 C35 H35 119.8 . .
C36 C35 H35 119.8 . .
C37 C36 C35 119.1(7) . .
C37 C36 H36 120.5 . .
C35 C36 H36 120.5 . .
C32 C37 C36 120.3(9) . .
C32 C37 H37 119.9 . .
C36 C37 H37 119.9 . .
O2 C38 C42 120.8(4) . .
O2 C38 C39 126.4(4) . .
C42 C38 C39 112.8(3) . .
C40 C39 C38 122.6(4) . .
C40 C39 N2 117.1(4) . .
C38 C39 N2 120.3(4) . .
C41 C40 C39 119.6(4) . .
C41 C40 H40 120.2 . .
C39 C40 H40 120.2 . .
C40 C41 C43 121.8(4) . .
C40 C41 N9 119.9(4) . .
C43 C41 N9 118.2(4) . .
C43 C42 C38 125.7(4) . .
C43 C42 N1 118.1(4) . .
C38 C42 N1 116.2(3) . .
C42 C43 C41 117.4(4) . .
C42 C43 H43 121.3 . .
C41 C43 H43 121.3 . .
O6 C44 N10 120.7(4) . .
O6 C44 C20 120.5(4) . .
N10 C44 C20 118.8(4) . .
N10 C46 C1 114.0(3) . .
N10 C46 H46A 108.7 . .
C1 C46 H46A 108.7 . .
N10 C46 H46B 108.7 . .
C1 C46 H46B 108.7 . .
H46A C46 H46B 107.6 . .
O7 C48 N12 120.2(4) . .
O7 C48 C14 120.0(4) . .
N12 C48 C14 119.7(4) . .
N12 C50 C34 110.8(4) . .
N12 C50 H50A 109.5 . .
C34 C50 H50A 109.5 . .
N12 C50 H50B 109.5 . .
C34 C50 H50B 109.5 . .
H50A C50 H50B 108.1 . .
C69 C67 C73 117.7(5) . .
C69 C67 C68 121.1(5) . .
C73 C67 C68 121.2(5) . .
N11 C68 C67 112.8(4) . .
N11 C68 H68A 109.0 . .
C67 C68 H68A 109.0 . .
N11 C68 H68B 109.0 . .
C67 C68 H68B 109.0 . .
H68A C68 H68B 107.8 . .
C70 C69 C67 122.2(6) . .
C70 C69 H69 118.9 . .
C67 C69 H69 118.9 . .
C69 C70 C71 120.4(6) . .
C69 C70 H70 119.8 . .
C71 C70 H70 119.8 . .
C70 C71 C72 118.9(7) . .
C70 C71 H71 120.6 . .
C72 C71 H71 120.6 . .
C71 C72 C73 120.5(7) . .
C71 C72 H72 119.7 . .
C73 C72 H72 119.7 . .
C67 C73 C72 120.3(6) . .
C67 C73 H73 119.9 . .
C72 C73 H73 119.9 . .
N11 C74 C75 114.5(4) . .
N11 C74 H74A 108.6 . .
C75 C74 H74A 108.6 . .
N11 C74 H74B 108.6 . .
C75 C74 H74B 108.6 . .
H74A C74 H74B 107.6 . .
O26 C75 C74 106.6(4) . .
O26 C75 H75A 110.4 . .
C74 C75 H75A 110.4 . .
O26 C75 H75B 110.4 . .
C74 C75 H75B 110.4 . .
H75A C75 H75B 108.6 . .
C12 C76 H76A 109.5 . .
C12 C76 H76B 109.5 . .
H76A C76 H76B 109.5 . .
C12 C76 H76C 109.5 . .
H76A C76 H76C 109.5 . .
H76B C76 H76C 109.5 . .
C78 C77 N11 115.7(6) . .
C78 C77 H77A 108.4 . .
N11 C77 H77A 108.4 . .
C78 C77 H77B 108.4 . .
N11 C77 H77B 108.4 . .
H77A C77 H77B 107.4 . .
C77 C78 O27 108.9(5) . .
C77 C78 H78A 109.9 . .
O27 C78 H78A 109.9 . .
C77 C78 H78B 109.9 . .
O27 C78 H78B 109.9 . .
H78A C78 H78B 108.3 . .
O2 Er1 O3 88.80(9) . .
O2 Er1 O4 139.93(9) . .
O3 Er1 O4 124.56(9) . .
O2 Er1 O7 84.13(9) . 1_565
O3 Er1 O7 79.61(10) . 1_565
O4 Er1 O7 81.46(9) . 1_565
O2 Er1 O5 141.07(10) . .
O3 Er1 O5 80.10(10) . .
O4 Er1 O5 73.00(10) . .
O7 Er1 O5 129.25(10) 1_565 .
O2 Er1 O6 85.41(9) . .
O3 Er1 O6 142.33(9) . .
O4 Er1 O6 79.88(9) . .
O7 Er1 O6 136.38(10) 1_565 .
O5 Er1 O6 81.36(10) . .
O2 Er1 O1 69.14(9) . .
O3 Er1 O1 72.99(9) . .
O4 Er1 O1 136.49(9) . .
O7 Er1 O1 141.59(9) 1_565 .
O5 Er1 O1 71.92(10) . .
O6 Er1 O1 70.17(9) . .
O2 Er1 O9 72.21(8) . .
O3 Er1 O9 142.49(9) . .
O4 Er1 O9 67.75(9) . .
O7 Er1 O9 66.78(9) 1_565 .
O5 Er1 O9 134.27(10) . .
O6 Er1 O9 69.68(9) . .
O1 Er1 O9 125.38(9) . .
O13 N1 O12 124.5(5) . .
O13 N1 C42 119.0(5) . .
O12 N1 C42 116.5(5) . .
O11 N2 O1 121.3(4) . .
O11 N2 C39 118.6(4) . .
O1 N2 C39 120.1(4) . .
O15 N3 O16 120.8(4) . .
O15 N3 C9 118.9(4) . .
O16 N3 C9 120.3(4) . .
O14 N4 O10 122.1(4) . .
O14 N4 C7 120.1(4) . .
O10 N4 C7 117.8(4) . .
O23 N5 O17 123.2(4) . .
O23 N5 C11 118.5(4) . .
O17 N5 C11 118.1(4) . .
O9 N6 O19 121.0(4) . .
O9 N6 C29 121.0(4) . .
O19 N6 C29 118.0(4) . .
O18 N7 O22 123.3(4) . .
O18 N7 C28 118.3(4) . .
O22 N7 C28 118.3(4) . .
O21 N8 O20 121.9(4) . .
O21 N8 C26 117.9(4) . .
O20 N8 C26 120.2(4) . .
O25 N9 O24 125.3(5) . .
O25 N9 C41 117.1(5) . .
O24 N9 C41 117.6(5) . .
C44 N10 C46 124.8(3) . .
C44 N10 H10A 117.6 . .
C46 N10 H10A 117.6 . .
C74 N11 C68 112.4(4) . .
C74 N11 C77 106.0(4) . .
C68 N11 C77 113.0(4) . .
C48 N12 C50 123.1(3) . .
C48 N12 H12 118.5 . .
C50 N12 H12 118.5 . .
N2 O1 Er1 138.6(3) . .
C38 O2 Er1 140.4(2) . .
C8 O3 Er1 161.3(3) . .
C27 O4 Er1 137.4(2) . .
C12 O5 Er1 132.8(3) . .
C12 O5 H5A 117(3) . .
Er1 O5 H5A 106(3) . .
C44 O6 Er1 155.2(2) . .
C48 O7 Er1 148.5(3) . 1_545
N6 O9 Er1 136.2(3) . .
C21 O26 C75 119.8(4) . .
C16 O27 C78 118.6(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C3 1.369(6) .
C1 C2 1.375(5) .
C1 C46 1.516(5) .
C2 C4 1.378(6) .
C2 H2 0.9300 .
C3 C5 1.380(6) .
C3 H3 0.9300 .
C4 C6 1.361(7) .
C4 H4 0.9300 .
C5 C6 1.346(7) .
C5 H5 0.9300 .
C6 H6 0.9300 .
C7 C13 1.353(5) .
C7 C8 1.444(5) .
C7 N4 1.465(5) .
C8 O3 1.252(4) .
C8 C9 1.436(5) .
C9 C10 1.370(5) .
C9 N3 1.462(5) .
C10 C11 1.378(5) .
C10 H10 0.9300 .
C11 C13 1.372(5) .
C11 N5 1.459(5) .
C12 O5 1.435(5) .
C12 C76 1.482(6) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 H13 0.9300 .
C14 C15 1.380(5) .
C14 C16 1.389(6) .
C14 C48 1.478(5) .
C15 C18 1.378(6) .
C15 H15 0.9300 .
C16 O27 1.368(6) .
C16 C19 1.404(6) .
C17 C19 1.356(8) .
C17 C18 1.358(8) .
C17 H17 0.9300 .
C18 H18 0.9300 .
C19 H19 0.9300 .
C20 C22 1.379(5) .
C20 C21 1.395(5) .
C20 C44 1.489(5) .
C21 O26 1.358(5) .
C21 C23 1.397(6) .
C22 C25 1.377(6) .
C22 H22 0.9300 .
C23 C24 1.376(7) .
C23 H23 0.9300 .
C24 C25 1.358(7) .
C24 H24 0.9300 .
C25 H25 0.9300 .
C26 C30 1.368(5) .
C26 C27 1.444(5) .
C26 N8 1.461(5) .
C27 O4 1.267(4) .
C27 C29 1.420(5) .
C28 C30 1.366(5) .
C28 C31 1.368(5) .
C28 N7 1.455(5) .
C29 C31 1.369(5) .
C29 N6 1.464(5) .
C30 H30 0.9300 .
C31 H31 0.9300 .
C32 C37 1.336(10) .
C32 C33 1.356(8) .
C32 H32 0.9300 .
C33 C34 1.370(6) .
C33 H33 0.9300 .
C34 C35 1.359(5) .
C34 C50 1.504(5) .
C35 C36 1.388(7) .
C35 H35 0.9300 .
C36 C37 1.348(9) .
C36 H36 0.9300 .
C37 H37 0.9300 .
C38 O2 1.276(4) .
C38 C42 1.417(5) .
C38 C39 1.429(5) .
C39 C40 1.386(5) .
C39 N2 1.442(5) .
C40 C41 1.357(5) .
C40 H40 0.9300 .
C41 C43 1.384(5) .
C41 N9 1.478(5) .
C42 C43 1.362(5) .
C42 N1 1.471(5) .
C43 H43 0.9300 .
C44 O6 1.253(4) .
C44 N10 1.330(5) .
C46 N10 1.452(4) .
C46 H46A 0.9700 .
C46 H46B 0.9700 .
C48 O7 1.245(4) .
C48 N12 1.322(4) .
C50 N12 1.469(4) .
C50 H50A 0.9700 .
C50 H50B 0.9700 .
C67 C69 1.362(6) .
C67 C73 1.374(6) .
C67 C68 1.515(6) .
C68 N11 1.479(5) .
C68 H68A 0.9700 .
C68 H68B 0.9700 .
C69 C70 1.356(7) .
C69 H69 0.9300 .
C70 C71 1.362(8) .
C70 H70 0.9300 .
C71 C72 1.364(8) .
C71 H71 0.9300 .
C72 C73 1.386(8) .
C72 H72 0.9300 .
C73 H73 0.9300 .
C74 N11 1.472(6) .
C74 C75 1.480(7) .
C74 H74A 0.9700 .
C74 H74B 0.9700 .
C75 O26 1.439(5) .
C75 H75A 0.9700 .
C75 H75B 0.9700 .
C76 H76A 0.9600 .
C76 H76B 0.9600 .
C76 H76C 0.9600 .
C77 C78 1.424(7) .
C77 N11 1.485(7) .
C77 H77A 0.9700 .
C77 H77B 0.9700 .
C78 O27 1.445(6) .
C78 H78A 0.9700 .
C78 H78B 0.9700 .
Er1 O2 2.215(2) .
Er1 O3 2.224(3) .
Er1 O4 2.250(2) .
Er1 O7 2.279(3) 1_565
Er1 O5 2.346(3) .
Er1 O6 2.348(3) .
Er1 O1 2.501(3) .
Er1 O9 2.542(3) .
N1 O13 1.171(5) .
N1 O12 1.214(5) .
N2 O11 1.225(4) .
N2 O1 1.236(4) .
N3 O15 1.167(5) .
N3 O16 1.205(5) .
N4 O14 1.203(4) .
N4 O10 1.216(4) .
N5 O23 1.207(5) .
N5 O17 1.210(4) .
N6 O9 1.215(4) .
N6 O19 1.222(4) .
N7 O18 1.206(4) .
N7 O22 1.213(5) .
N8 O21 1.196(4) .
N8 O20 1.212(4) .
N9 O25 1.210(5) .
N9 O24 1.218(5) .
N10 H10A 0.8600 .
N12 H12 0.8600 .
O5 H5A 0.77(3) .
O7 Er1 2.279(3) 1_545
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
C3 C1 C2 C4 0.6(7) . .
C46 C1 C2 C4 178.1(4) . .
C2 C1 C3 C5 0.0(7) . .
C46 C1 C3 C5 -177.6(4) . .
C1 C2 C4 C6 -1.0(9) . .
C1 C3 C5 C6 -0.1(8) . .
C3 C5 C6 C4 -0.3(9) . .
C2 C4 C6 C5 0.8(10) . .
C13 C7 C8 O3 179.5(4) . .
N4 C7 C8 O3 0.5(6) . .
C13 C7 C8 C9 0.0(6) . .
N4 C7 C8 C9 -179.1(3) . .
O3 C8 C9 C10 -179.0(4) . .
C7 C8 C9 C10 0.6(6) . .
O3 C8 C9 N3 -0.2(6) . .
C7 C8 C9 N3 179.3(3) . .
C8 C9 C10 C11 -1.4(6) . .
N3 C9 C10 C11 179.8(4) . .
C9 C10 C11 C13 1.7(6) . .
C9 C10 C11 N5 -179.7(4) . .
C8 C7 C13 C11 0.3(6) . .
N4 C7 C13 C11 179.4(4) . .
C10 C11 C13 C7 -1.1(6) . .
N5 C11 C13 C7 -179.8(4) . .
C16 C14 C15 C18 -1.3(7) . .
C48 C14 C15 C18 176.2(4) . .
C15 C14 C16 O27 -177.6(4) . .
C48 C14 C16 O27 5.3(7) . .
C15 C14 C16 C19 3.7(7) . .
C48 C14 C16 C19 -173.4(5) . .
C19 C17 C18 C15 2.5(10) . .
C14 C15 C18 C17 -1.8(8) . .
C18 C17 C19 C16 0.0(10) . .
O27 C16 C19 C17 178.2(6) . .
C14 C16 C19 C17 -3.1(9) . .
C22 C20 C21 O26 -179.3(4) . .
C44 C20 C21 O26 -1.4(6) . .
C22 C20 C21 C23 -2.7(6) . .
C44 C20 C21 C23 175.2(4) . .
C21 C20 C22 C25 0.9(7) . .
C44 C20 C22 C25 -177.1(4) . .
O26 C21 C23 C24 178.7(4) . .
C20 C21 C23 C24 2.3(6) . .
C21 C23 C24 C25 -0.2(8) . .
C23 C24 C25 C22 -1.6(8) . .
C20 C22 C25 C24 1.2(7) . .
C30 C26 C27 O4 177.4(4) . .
N8 C26 C27 O4 -5.2(6) . .
C30 C26 C27 C29 -2.9(5) . .
N8 C26 C27 C29 174.5(3) . .
O4 C27 C29 C31 -177.8(3) . .
C26 C27 C29 C31 2.5(5) . .
O4 C27 C29 N6 2.8(6) . .
C26 C27 C29 N6 -176.9(3) . .
C31 C28 C30 C26 0.8(6) . .
N7 C28 C30 C26 -179.3(3) . .
C27 C26 C30 C28 1.3(6) . .
N8 C26 C30 C28 -176.1(4) . .
C30 C28 C31 C29 -1.2(6) . .
N7 C28 C31 C29 179.0(3) . .
C27 C29 C31 C28 -0.6(6) . .
N6 C29 C31 C28 178.8(3) . .
C37 C32 C33 C34 2.0(11) . .
C32 C33 C34 C35 -0.2(8) . .
C32 C33 C34 C50 179.3(5) . .
C33 C34 C35 C36 -1.2(7) . .
C50 C34 C35 C36 179.3(4) . .
C34 C35 C36 C37 0.8(9) . .
C33 C32 C37 C36 -2.4(13) . .
C35 C36 C37 C32 1.0(12) . .
O2 C38 C39 C40 -179.1(4) . .
C42 C38 C39 C40 1.3(5) . .
O2 C38 C39 N2 1.4(6) . .
C42 C38 C39 N2 -178.3(3) . .
C38 C39 C40 C41 1.4(6) . .
N2 C39 C40 C41 -179.1(4) . .
C39 C40 C41 C43 -3.0(6) . .
C39 C40 C41 N9 178.6(4) . .
O2 C38 C42 C43 177.8(4) . .
C39 C38 C42 C43 -2.6(6) . .
O2 C38 C42 N1 -0.2(6) . .
C39 C38 C42 N1 179.5(4) . .
C38 C42 C43 C41 1.2(7) . .
N1 C42 C43 C41 179.1(4) . .
C40 C41 C43 C42 1.8(6) . .
N9 C41 C43 C42 -179.8(4) . .
C22 C20 C44 O6 20.1(5) . .
C21 C20 C44 O6 -157.8(4) . .
C22 C20 C44 N10 -160.0(4) . .
C21 C20 C44 N10 22.1(6) . .
C3 C1 C46 N10 -143.1(4) . .
C2 C1 C46 N10 39.4(6) . .
C15 C14 C48 O7 -12.4(6) . .
C16 C14 C48 O7 164.8(4) . .
C15 C14 C48 N12 165.5(4) . .
C16 C14 C48 N12 -17.3(7) . .
C35 C34 C50 N12 -79.2(5) . .
C33 C34 C50 N12 101.3(5) . .
C69 C67 C68 N11 47.7(6) . .
C73 C67 C68 N11 -134.7(5) . .
C73 C67 C69 C70 2.2(7) . .
C68 C67 C69 C70 179.8(5) . .
C67 C69 C70 C71 -0.7(9) . .
C69 C70 C71 C72 -1.0(10) . .
C70 C71 C72 C73 1.3(10) . .
C69 C67 C73 C72 -1.9(8) . .
C68 C67 C73 C72 -179.5(5) . .
C71 C72 C73 C67 0.2(10) . .
N11 C74 C75 O26 -63.9(5) . .
N11 C77 C78 O27 -93.3(7) . .
C43 C42 N1 O13 85.6(6) . .
C38 C42 N1 O13 -96.3(5) . .
C43 C42 N1 O12 -95.9(5) . .
C38 C42 N1 O12 82.2(5) . .
C40 C39 N2 O11 -17.7(5) . .
C38 C39 N2 O11 161.9(3) . .
C40 C39 N2 O1 162.4(3) . .
C38 C39 N2 O1 -18.1(5) . .
C10 C9 N3 O15 16.6(7) . .
C8 C9 N3 O15 -162.2(5) . .
C10 C9 N3 O16 -166.0(4) . .
C8 C9 N3 O16 15.2(6) . .
C13 C7 N4 O14 -167.7(4) . .
C8 C7 N4 O14 11.5(6) . .
C13 C7 N4 O10 11.3(6) . .
C8 C7 N4 O10 -169.6(4) . .
C13 C11 N5 O23 174.2(5) . .
C10 C11 N5 O23 -4.5(7) . .
C13 C11 N5 O17 -1.2(7) . .
C10 C11 N5 O17 -179.9(4) . .
C31 C29 N6 O9 167.2(4) . .
C27 C29 N6 O9 -13.3(6) . .
C31 C29 N6 O19 -12.2(6) . .
C27 C29 N6 O19 167.3(4) . .
C30 C28 N7 O18 9.3(6) . .
C31 C28 N7 O18 -170.9(4) . .
C30 C28 N7 O22 -168.4(5) . .
C31 C28 N7 O22 11.4(6) . .
C30 C26 N8 O21 14.4(6) . .
C27 C26 N8 O21 -163.1(4) . .
C30 C26 N8 O20 -164.7(4) . .
C27 C26 N8 O20 17.7(6) . .
C40 C41 N9 O25 -5.0(6) . .
C43 C41 N9 O25 176.6(4) . .
C40 C41 N9 O24 176.3(4) . .
C43 C41 N9 O24 -2.2(6) . .
O6 C44 N10 C46 5.0(6) . .
C20 C44 N10 C46 -174.8(3) . .
C1 C46 N10 C44 -117.1(4) . .
C75 C74 N11 C68 -65.8(5) . .
C75 C74 N11 C77 170.2(4) . .
C67 C68 N11 C74 88.7(5) . .
C67 C68 N11 C77 -151.3(5) . .
C78 C77 N11 C74 178.6(5) . .
C78 C77 N11 C68 55.1(7) . .
O7 C48 N12 C50 -2.9(7) . .
C14 C48 N12 C50 179.2(4) . .
C34 C50 N12 C48 -151.6(4) . .
O11 N2 O1 Er1 -164.4(3) . .
C39 N2 O1 Er1 15.6(6) . .
O2 Er1 O1 N2 0.1(4) . .
O3 Er1 O1 N2 95.4(4) . .
O4 Er1 O1 N2 -141.9(3) . .
O7 Er1 O1 N2 49.0(4) 1_565 .
O5 Er1 O1 N2 -179.7(4) . .
O6 Er1 O1 N2 -92.6(4) . .
O9 Er1 O1 N2 -47.7(4) . .
C42 C38 O2 Er1 -155.9(3) . .
C39 C38 O2 Er1 24.5(6) . .
O3 Er1 O2 C38 -93.5(4) . .
O4 Er1 O2 C38 117.6(4) . .
O7 Er1 O2 C38 -173.2(4) 1_565 .
O5 Er1 O2 C38 -20.9(5) . .
O6 Er1 O2 C38 49.3(4) . .
O1 Er1 O2 C38 -21.2(4) . .
O9 Er1 O2 C38 119.4(4) . .
C9 C8 O3 Er1 -20.3(11) . .
C7 C8 O3 Er1 160.2(6) . .
O2 Er1 O3 C8 -137.4(8) . .
O4 Er1 O3 C8 18.8(9) . .
O7 Er1 O3 C8 -53.2(8) 1_565 .
O5 Er1 O3 C8 80.1(8) . .
O6 Er1 O3 C8 141.7(8) . .
O1 Er1 O3 C8 154.1(9) . .
O9 Er1 O3 C8 -79.4(9) . .
C29 C27 O4 Er1 36.5(6) . .
C26 C27 O4 Er1 -143.9(3) . .
O2 Er1 O4 C27 -37.1(4) . .
O3 Er1 O4 C27 -178.4(3) . .
O7 Er1 O4 C27 -107.3(4) 1_565 .
O5 Er1 O4 C27 117.1(4) . .
O6 Er1 O4 C27 33.1(4) . .
O1 Er1 O4 C27 79.6(4) . .
O9 Er1 O4 C27 -39.0(4) . .
C76 C12 O5 Er1 113.8(4) . .
O2 Er1 O5 C12 -46.7(4) . .
O3 Er1 O5 C12 28.8(4) . .
O4 Er1 O5 C12 159.8(4) . .
O7 Er1 O5 C12 96.5(4) 1_565 .
O6 Er1 O5 C12 -118.2(4) . .
O1 Er1 O5 C12 -46.4(4) . .
O9 Er1 O5 C12 -168.5(3) . .
N10 C44 O6 Er1 -102.0(6) . .
C20 C44 O6 Er1 77.9(7) . .
O2 Er1 O6 C44 115.8(6) . .
O3 Er1 O6 C44 -162.1(6) . .
O4 Er1 O6 C44 -26.8(6) . .
O7 Er1 O6 C44 39.3(7) 1_565 .
O5 Er1 O6 C44 -100.9(6) . .
O1 Er1 O6 C44 -174.7(7) . .
O9 Er1 O6 C44 43.1(6) . .
N12 C48 O7 Er1 109.3(5) . 1_545
C14 C48 O7 Er1 -72.8(6) . 1_545
O19 N6 O9 Er1 171.1(3) . .
C29 N6 O9 Er1 -8.2(6) . .
O2 Er1 O9 N6 -154.1(4) . .
O3 Er1 O9 N6 142.9(3) . .
O4 Er1 O9 N6 24.7(4) . .
O7 Er1 O9 N6 114.7(4) 1_565 .
O5 Er1 O9 N6 -8.2(4) . .
O6 Er1 O9 N6 -62.4(4) . .
O1 Er1 O9 N6 -107.4(4) . .
C20 C21 O26 C75 -163.3(3) . .
C23 C21 O26 C75 20.2(6) . .
C74 C75 O26 C21 158.4(4) . .
C14 C16 O27 C78 174.7(5) . .
C19 C16 O27 C78 -6.6(8) . .
C77 C78 O27 C16 -174.0(6) . .
