#------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/67/2016710.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2016710
loop_
_publ_author_name
'Liu, Chun-Sen'
'Guo, Liang-Qi'
'Yan, Li-Fen'
'Wang, Jun-Jie'
_publ_section_title
;Tetrakis(μ-anthracene-9-carboxylato)-κ⁴O:O';κ³O,O':O';κ³O:O,O'-bis[(anthracene-9-carboxylato-κ²O,O')(1,10-phenanthroline-κ²N,N')erbium(III)]:
 effects of a noncoordinating anthracene ligand ring system on the final
 structure of a coordination complex
;
_journal_coeditor_code           GD3217
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m292
_journal_page_last               m295
_journal_paper_doi               10.1107/S0108270108019975
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Er2 (C15 H9 O2)6 (C12 H8 N2)2]'
_chemical_formula_moiety         'C114 H70 Er2 N4 O12'
_chemical_formula_sum            'C114 H70 Er2 N4 O12'
_chemical_formula_weight         2022.26
_chemical_name_systematic
;
Tetrakis(μ-anthracene-9-carboxylato)-
κ⁴O:O';κ³O,O':O';κ³O:O,O'-
bis[(anthracene-9-carboxylato-κ²O,O')(1,10-phenanthroline-
κ²N,N')erbium(III)]
;
_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                110.9348(8)
_cell_angle_beta                 103.1758(8)
_cell_angle_gamma                106.6669(8)
_cell_formula_units_Z            1
_cell_length_a                   12.4951(2)
_cell_length_b                   13.3839(2)
_cell_length_c                   14.9579(2)
_cell_measurement_reflns_used    5264
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      28.1116
_cell_measurement_theta_min      2.4151
_cell_volume                     2079.97(6)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
'SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'φ and ω'
_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  0.0256
_diffrn_reflns_av_sigmaI/netI    0.0275
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            24533
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.78
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.078
_exptl_absorpt_correction_T_max  0.7886
_exptl_absorpt_correction_T_min  0.6813
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.614
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1014
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.963
_refine_diff_density_min         -0.427
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     595
_refine_ls_number_reflns         7308
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0245
_refine_ls_R_factor_gt           0.0202
_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)+(0.0283P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0477
_refine_ls_wR_factor_ref         0.0487
_reflns_number_gt                6534
_reflns_number_total             7308
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            gd3217.cif
_cod_data_source_block           I
_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_enum 1527 2010-12-29 10:47:43Z saulius 

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 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2016710
_cod_database_fobs_code          2016710
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
Er Er1 0.668545(9) 0.573952(9) 0.591514(8) 0.02544(4) Uani d . 1
C C1 0.5700(2) 0.5287(2) 0.34748(19) 0.0307(6) Uani d . 1
C C2 0.6139(2) 0.5567(2) 0.26913(19) 0.0330(6) Uani d . 1
C C3 0.5708(2) 0.4695(2) 0.1662(2) 0.0371(6) Uani d . 1
C C4 0.4803(3) 0.3540(2) 0.1257(2) 0.0439(7) Uani d . 1
H H4 0.4444 0.3340 0.1684 0.053 Uiso calc R 1
C C5 0.4454(3) 0.2732(3) 0.0272(2) 0.0507(7) Uani d . 1
H H5 0.3867 0.1990 0.0041 0.061 Uiso calc R 1
C C6 0.4957(3) 0.2989(3) -0.0412(2) 0.0537(8) Uani d . 1
H H6 0.4708 0.2421 -0.1087 0.064 Uiso calc R 1
C C7 0.5799(3) 0.4060(3) -0.0081(2) 0.0542(8) Uani d . 1
H H7 0.6125 0.4227 -0.0538 0.065 Uiso calc R 1
C C8 0.6212(2) 0.4954(3) 0.0952(2) 0.0425(7) Uani d . 1
C C9 0.7047(3) 0.6068(3) 0.1277(2) 0.0497(7) Uani d . 1
H H9 0.7356 0.6232 0.0811 0.060 Uiso calc R 1
C C10 0.7446(2) 0.6956(3) 0.2275(2) 0.0436(7) Uani d . 1
C C11 0.8267(3) 0.8110(3) 0.2562(3) 0.0544(8) Uani d . 1
H H11 0.8518 0.8275 0.2072 0.065 Uiso calc R 1
C C12 0.8684(3) 0.8965(3) 0.3533(3) 0.0607(9) Uani d . 1
H H12 0.9220 0.9713 0.3712 0.073 Uiso calc R 1
C C13 0.8301(3) 0.8719(3) 0.4278(3) 0.0529(8) Uani d . 1
H H13 0.8600 0.9310 0.4949 0.064 Uiso calc R 1
C C14 0.7510(2) 0.7643(2) 0.4039(2) 0.0444(7) Uani d . 1
H H14 0.7279 0.7513 0.4550 0.053 Uiso calc R 1
C C15 0.7018(2) 0.6695(2) 0.3011(2) 0.0375(6) Uani d . 1
C C16 0.8730(2) 0.7611(2) 0.74212(19) 0.0302(5) Uani d . 1
C C17 0.9849(2) 0.8616(2) 0.82691(18) 0.0312(5) Uani d . 1
C C18 1.0731(2) 0.8379(2) 0.8816(2) 0.0349(6) Uani d . 1
C C19 1.0693(2) 0.7226(2) 0.8531(2) 0.0443(7) Uani d . 1
H H19 1.0064 0.6597 0.7952 0.053 Uiso calc R 1
C C20 1.1560(3) 0.7035(3) 0.9091(3) 0.0568(8) Uani d . 1
H H20 1.1522 0.6278 0.8886 0.068 Uiso calc R 1
C C21 1.2518(3) 0.7965(3) 0.9979(3) 0.0587(9) Uani d . 1
H H21 1.3109 0.7820 1.0352 0.070 Uiso calc R 1
C C22 1.2581(2) 0.9067(3) 1.0288(2) 0.0493(7) Uani d . 1
H H22 1.3208 0.9670 1.0883 0.059 Uiso calc R 1
C C23 1.1712(2) 0.9327(2) 0.9726(2) 0.0357(6) Uani d . 1
C C24 1.1764(2) 1.0450(2) 1.0032(2) 0.0369(6) Uani d . 1
H H24 1.2377 1.1055 1.0636 0.044 Uiso calc R 1
C C25 1.0921(2) 1.0703(2) 0.94612(19) 0.0334(6) Uani d . 1
C C26 1.0973(3) 1.1855(2) 0.9768(2) 0.0419(7) Uani d . 1
H H26 1.1596 1.2469 1.0360 0.050 Uiso calc R 1
C C27 1.0135(3) 1.2077(2) 0.9215(2) 0.0468(7) Uani d . 1
H H27 1.0180 1.2836 0.9436 0.056 Uiso calc R 1
C C28 0.9188(3) 1.1158(2) 0.8301(2) 0.0462(7) Uani d . 1
H H28 0.8633 1.1325 0.7914 0.055 Uiso calc R 1
C C29 0.9083(2) 1.0036(2) 0.7984(2) 0.0401(6) Uani d . 1
H H29 0.8444 0.9440 0.7393 0.048 Uiso calc R 1
C C30 0.9943(2) 0.9765(2) 0.85501(19) 0.0319(6) Uani d . 1
C C31 0.5339(2) 0.7168(2) 0.56561(19) 0.0312(6) Uani d . 1
C C32 0.4644(2) 0.7922(2) 0.56337(19) 0.0309(6) Uani d . 1
C C33 0.4342(2) 0.8145(2) 0.4785(2) 0.0341(6) Uani d . 1
C C34 0.4671(2) 0.7708(2) 0.3924(2) 0.0408(6) Uani d . 1
H H34 0.5089 0.7232 0.3904 0.049 Uiso calc R 1
C C35 0.4391(3) 0.7967(3) 0.3132(2) 0.0509(7) Uani d . 1
H H35 0.4622 0.7672 0.2579 0.061 Uiso calc R 1
C C36 0.3751(3) 0.8682(3) 0.3133(3) 0.0561(8) Uani d . 1
H H36 0.3567 0.8858 0.2585 0.067 Uiso calc R 1
C C37 0.3405(2) 0.9111(2) 0.3929(2) 0.0490(8) Uani d . 1
H H37 0.2983 0.9580 0.3921 0.059 Uiso calc R 1
C C38 0.3675(2) 0.8858(2) 0.4780(2) 0.0405(7) Uani d . 1
C C39 0.3343(2) 0.9298(2) 0.5612(2) 0.0466(7) Uani d . 1
H H39 0.2908 0.9757 0.5605 0.056 Uiso calc R 1
C C40 0.3635(2) 0.9081(2) 0.6454(2) 0.0409(7) Uani d . 1
C C41 0.3296(3) 0.9536(3) 0.7316(3) 0.0580(9) Uani d . 1
H H41 0.2866 0.9999 0.7319 0.070 Uiso calc R 1
C C42 0.3585(3) 0.9308(3) 0.8117(3) 0.0643(9) Uani d . 1
H H42 0.3357 0.9619 0.8669 0.077 Uiso calc R 1
C C43 0.4229(3) 0.8605(3) 0.8138(3) 0.0572(8) Uani d . 1
H H43 0.4411 0.8444 0.8696 0.069 Uiso calc R 1
C C44 0.4585(3) 0.8159(2) 0.7343(2) 0.0457(7) Uani d . 1
H H44 0.5018 0.7703 0.7371 0.055 Uiso calc R 1
C C45 0.4311(2) 0.8375(2) 0.6473(2) 0.0352(6) Uani d . 1
C C46 0.8006(3) 0.4361(3) 0.4284(2) 0.0461(7) Uani d . 1
H H46 0.7648 0.4667 0.3895 0.055 Uiso calc R 1
C C47 0.8651(3) 0.3725(3) 0.3883(3) 0.0564(8) Uani d . 1
H H47 0.8695 0.3599 0.3242 0.068 Uiso calc R 1
C C48 0.9206(3) 0.3303(3) 0.4456(3) 0.0577(9) Uani d . 1
H H48 0.9649 0.2891 0.4213 0.069 Uiso calc R 1
C C49 0.9117(2) 0.3484(2) 0.5403(3) 0.0476(7) Uani d . 1
C C50 0.9693(3) 0.3084(3) 0.6070(3) 0.0661(10) Uani d . 1
H H50 1.0141 0.2665 0.5854 0.079 Uiso calc R 1
C C51 0.9608(3) 0.3291(3) 0.6981(3) 0.0658(10) Uani d . 1
H H51 1.0009 0.3031 0.7393 0.079 Uiso calc R 1
C C52 0.8909(2) 0.3908(2) 0.7340(3) 0.0474(7) Uani d . 1
C C53 0.8799(3) 0.4154(3) 0.8291(3) 0.0554(8) Uani d . 1
H H53 0.9186 0.3908 0.8725 0.066 Uiso calc R 1
C C54 0.8129(3) 0.4749(3) 0.8588(2) 0.0486(7) Uani d . 1
H H54 0.8058 0.4922 0.9226 0.058 Uiso calc R 1
C C55 0.7547(2) 0.5100(2) 0.7918(2) 0.0397(6) Uani d . 1
H H55 0.7084 0.5504 0.8126 0.048 Uiso calc R 1
C C56 0.8309(2) 0.4304(2) 0.6710(2) 0.0353(6) Uani d . 1
C C57 0.8427(2) 0.4107(2) 0.5733(2) 0.0362(6) Uani d . 1
N N1 0.78757(17) 0.45512(18) 0.51703(16) 0.0347(5) Uani d . 1
N N2 0.76185(17) 0.48867(17) 0.70041(16) 0.0323(5) Uani d . 1
O O1 0.78215(15) 0.72637(15) 0.76466(13) 0.0367(4) Uani d . 1
O O2 0.86984(15) 0.71052(15) 0.65199(13) 0.0393(4) Uani d . 1
O O3 0.47689(15) 0.60681(13) 0.52103(13) 0.0336(4) Uani d . 1
O O4 0.64480(16) 0.76076(16) 0.61145(15) 0.0500(5) Uani d . 1
O O5 0.64959(14) 0.56867(14) 0.43495(13) 0.0333(4) Uani d . 1
O O6 0.54015(14) 0.53154(15) 0.67816(12) 0.0346(4) Uani d . 1
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O3 Er1 O5 2_666 . 76.39(6) yes
O3 Er1 O6 2_666 . 74.83(6) yes
O5 Er1 O6 . . 137.12(6) yes
O3 Er1 O2 2_666 . 148.50(6) yes
O5 Er1 O2 . . 87.07(6) yes
O6 Er1 O2 . . 131.90(6) yes
O3 Er1 O1 2_666 . 150.34(6) yes
O5 Er1 O1 . . 132.78(6) yes
O6 Er1 O1 . . 77.74(6) yes
O2 Er1 O1 . . 54.65(6) yes
O3 Er1 O4 2_666 . 123.26(6) yes
O5 Er1 O4 . . 76.72(6) yes
O6 Er1 O4 . . 93.44(6) yes
O2 Er1 O4 . . 77.13(6) yes
O1 Er1 O4 . . 69.17(6) yes
O3 Er1 N2 2_666 . 90.41(6) yes
O5 Er1 N2 . . 137.24(6) yes
O6 Er1 N2 . . 73.94(6) yes
O2 Er1 N2 . . 83.73(6) yes
O1 Er1 N2 . . 71.19(6) yes
O4 Er1 N2 . . 140.11(6) yes
O3 Er1 O3 2_666 . 74.08(6) yes
O5 Er1 O3 . . 70.39(5) yes
O6 Er1 O3 . . 71.56(5) yes
O2 Er1 O3 . . 125.40(6) yes
O1 Er1 O3 . . 107.57(5) yes
O4 Er1 O3 . . 49.98(5) yes
N2 Er1 O3 . . 144.79(6) yes
O3 Er1 N1 2_666 . 76.23(6) yes
O5 Er1 N1 . . 73.71(6) yes
O6 Er1 N1 . . 127.65(6) yes
O2 Er1 N1 . . 73.44(6) yes
O1 Er1 N1 . . 113.22(6) yes
O4 Er1 N1 . . 138.86(7) yes
N2 Er1 N1 . . 63.63(7) yes
O3 Er1 N1 . . 137.60(6) yes
O3 Er1 C16 2_666 . 165.70(6) ?
O5 Er1 C16 . . 110.61(7) ?
O6 Er1 C16 . . 104.95(7) ?
O2 Er1 C16 . . 27.23(6) ?
O1 Er1 C16 . . 27.42(6) ?
O4 Er1 C16 . . 70.99(6) ?
N2 Er1 C16 . . 75.99(7) ?
O3 Er1 C16 . . 119.74(6) ?
N1 Er1 C16 . . 93.47(7) ?
O3 Er1 C31 2_666 . 99.25(7) ?
O5 Er1 C31 . . 73.21(6) ?
O6 Er1 C31 . . 80.81(6) ?
O2 Er1 C31 . . 101.37(7) ?
O1 Er1 C31 . . 87.20(6) ?
O4 Er1 C31 . . 24.70(6) ?
N2 Er1 C31 . . 149.55(7) ?
O3 Er1 C31 . . 25.35(6) ?
N1 Er1 C31 . . 146.73(7) ?
C16 Er1 C31 . . 94.78(7) ?
O3 Er1 Er1 2_666 2_666 40.05(4) ?
O5 Er1 Er1 . 2_666 68.81(4) ?
O6 Er1 Er1 . 2_666 68.66(4) ?
O2 Er1 Er1 . 2_666 152.11(4) ?
O1 Er1 Er1 . 2_666 135.05(4) ?
O4 Er1 Er1 . 2_666 83.62(4) ?
N2 Er1 Er1 . 2_666 123.43(5) ?
O3 Er1 Er1 . 2_666 34.03(3) ?
N1 Er1 Er1 . 2_666 110.83(5) ?
C16 Er1 Er1 . 2_666 153.61(5) ?
C31 Er1 Er1 . 2_666 59.26(5) ?
O5 C1 O6 . 2_666 125.0(2) ?
O5 C1 C2 . . 115.6(2) ?
O6 C1 C2 2_666 . 119.3(2) ?
C3 C2 C15 . . 120.5(2) ?
C3 C2 C1 . . 120.1(2) ?
C15 C2 C1 . . 119.4(2) ?
C2 C3 C4 . . 124.8(2) ?
C2 C3 C8 . . 119.1(3) ?
C4 C3 C8 . . 116.1(2) ?
C5 C4 C3 . . 122.0(3) ?
C5 C4 H4 . . 119.0 ?
C3 C4 H4 . . 119.0 ?
C4 C5 C6 . . 121.5(3) ?
C4 C5 H5 . . 119.2 ?
C6 C5 H5 . . 119.2 ?
C7 C6 C5 . . 119.3(3) ?
C7 C6 H6 . . 120.4 ?
C5 C6 H6 . . 120.4 ?
C6 C7 C8 . . 122.0(3) ?
C6 C7 H7 . . 119.0 ?
C8 C7 H7 . . 119.0 ?
C9 C8 C7 . . 121.7(3) ?
C9 C8 C3 . . 119.2(3) ?
C7 C8 C3 . . 119.0(3) ?
C8 C9 C10 . . 122.6(3) ?
C8 C9 H9 . . 118.7 ?
C10 C9 H9 . . 118.7 ?
C9 C10 C11 . . 120.6(3) ?
C9 C10 C15 . . 119.1(3) ?
C11 C10 C15 . . 120.3(3) ?
C12 C11 C10 . . 121.0(3) ?
C12 C11 H11 . . 119.5 ?
C10 C11 H11 . . 119.5 ?
C11 C12 C13 . . 119.6(3) ?
C11 C12 H12 . . 120.2 ?
C13 C12 H12 . . 120.2 ?
C14 C13 C12 . . 121.6(3) ?
C14 C13 H13 . . 119.2 ?
C12 C13 H13 . . 119.2 ?
C13 C14 C15 . . 121.6(3) ?
C13 C14 H14 . . 119.2 ?
C15 C14 H14 . . 119.2 ?
C2 C15 C10 . . 119.4(3) ?
C2 C15 C14 . . 124.7(2) ?
C10 C15 C14 . . 115.9(3) ?
O2 C16 O1 . . 120.5(2) ?
O2 C16 C17 . . 121.6(2) ?
O1 C16 C17 . . 117.9(2) ?
O2 C16 Er1 . . 59.57(12) ?
O1 C16 Er1 . . 60.93(12) ?
C17 C16 Er1 . . 178.09(17) ?
C18 C17 C30 . . 121.3(2) ?
C18 C17 C16 . . 119.1(2) ?
C30 C17 C16 . . 119.4(2) ?
C17 C18 C19 . . 123.0(2) ?
C17 C18 C23 . . 119.2(2) ?
C19 C18 C23 . . 117.7(2) ?
C20 C19 C18 . . 121.0(3) ?
C20 C19 H19 . . 119.5 ?
C18 C19 H19 . . 119.5 ?
C19 C20 C21 . . 121.0(3) ?
C19 C20 H20 . . 119.5 ?
C21 C20 H20 . . 119.5 ?
C22 C21 C20 . . 120.1(3) ?
C22 C21 H21 . . 120.0 ?
C20 C21 H21 . . 120.0 ?
C21 C22 C23 . . 121.6(3) ?
C21 C22 H22 . . 119.2 ?
C23 C22 H22 . . 119.2 ?
C24 C23 C22 . . 122.3(3) ?
C24 C23 C18 . . 119.1(2) ?
C22 C23 C18 . . 118.5(3) ?
C23 C24 C25 . . 122.0(2) ?
C23 C24 H24 . . 119.0 ?
C25 C24 H24 . . 119.0 ?
C24 C25 C26 . . 122.3(2) ?
C24 C25 C30 . . 119.3(2) ?
C26 C25 C30 . . 118.4(2) ?
C27 C26 C25 . . 121.3(3) ?
C27 C26 H26 . . 119.3 ?
C25 C26 H26 . . 119.3 ?
C26 C27 C28 . . 120.4(3) ?
C26 C27 H27 . . 119.8 ?
C28 C27 H27 . . 119.8 ?
C29 C28 C27 . . 120.7(3) ?
C29 C28 H28 . . 119.6 ?
C27 C28 H28 . . 119.6 ?
C28 C29 C30 . . 120.6(3) ?
C28 C29 H29 . . 119.7 ?
C30 C29 H29 . . 119.7 ?
C17 C30 C29 . . 122.5(2) ?
C17 C30 C25 . . 118.9(2) ?
C29 C30 C25 . . 118.5(2) ?
O4 C31 O3 . . 119.9(2) ?
O4 C31 C32 . . 121.4(2) ?
O3 C31 C32 . . 118.7(2) ?
O4 C31 Er1 . . 57.95(13) ?
O3 C31 Er1 . . 62.17(12) ?
C32 C31 Er1 . . 173.97(17) ?
C45 C32 C33 . . 121.6(2) ?
C45 C32 C31 . . 118.3(2) ?
C33 C32 C31 . . 120.1(2) ?
C32 C33 C34 . . 123.2(2) ?
C32 C33 C38 . . 119.0(2) ?
C34 C33 C38 . . 117.8(2) ?
C35 C34 C33 . . 121.5(3) ?
C35 C34 H34 . . 119.3 ?
C33 C34 H34 . . 119.3 ?
C34 C35 C36 . . 120.8(3) ?
C34 C35 H35 . . 119.6 ?
C36 C35 H35 . . 119.6 ?
C37 C36 C35 . . 120.1(3) ?
C37 C36 H36 . . 119.9 ?
C35 C36 H36 . . 119.9 ?
C36 C37 C38 . . 121.2(3) ?
C36 C37 H37 . . 119.4 ?
C38 C37 H37 . . 119.4 ?
C39 C38 C37 . . 122.3(3) ?
C39 C38 C33 . . 119.1(3) ?
C37 C38 C33 . . 118.6(3) ?
C40 C39 C38 . . 122.4(2) ?
C40 C39 H39 . . 118.8 ?
C38 C39 H39 . . 118.8 ?
C39 C40 C41 . . 122.6(3) ?
C39 C40 C45 . . 119.2(2) ?
C41 C40 C45 . . 118.2(3) ?
C42 C41 C40 . . 121.4(3) ?
C42 C41 H41 . . 119.3 ?
C40 C41 H41 . . 119.3 ?
C41 C42 C43 . . 121.0(3) ?
C41 C42 H42 . . 119.5 ?
C43 C42 H42 . . 119.5 ?
C44 C43 C42 . . 120.2(3) ?
C44 C43 H43 . . 119.9 ?
C42 C43 H43 . . 119.9 ?
C43 C44 C45 . . 121.6(3) ?
C43 C44 H44 . . 119.2 ?
C45 C44 H44 . . 119.2 ?
C32 C45 C44 . . 123.5(2) ?
C32 C45 C40 . . 118.8(2) ?
C44 C45 C40 . . 117.7(2) ?
N1 C46 C47 . . 124.6(3) ?
N1 C46 H46 . . 117.7 ?
C47 C46 H46 . . 117.7 ?
C48 C47 C46 . . 118.3(3) ?
C48 C47 H47 . . 120.9 ?
C46 C47 H47 . . 120.9 ?
C47 C48 C49 . . 120.1(3) ?
C47 C48 H48 . . 119.9 ?
C49 C48 H48 . . 119.9 ?
C48 C49 C57 . . 117.7(3) ?
C48 C49 C50 . . 123.9(3) ?
C57 C49 C50 . . 118.4(3) ?
C51 C50 C49 . . 122.4(3) ?
C51 C50 H50 . . 118.8 ?
C49 C50 H50 . . 118.8 ?
C50 C51 C52 . . 121.1(3) ?
C50 C51 H51 . . 119.5 ?
C52 C51 H51 . . 119.5 ?
C53 C52 C56 . . 117.8(3) ?
C53 C52 C51 . . 123.2(3) ?
C56 C52 C51 . . 119.0(3) ?
C54 C53 C52 . . 120.3(3) ?
C54 C53 H53 . . 119.9 ?
C52 C53 H53 . . 119.9 ?
C53 C54 C55 . . 118.8(3) ?
C53 C54 H54 . . 120.6 ?
C55 C54 H54 . . 120.6 ?
N2 C55 C54 . . 123.5(3) ?
N2 C55 H55 . . 118.3 ?
C54 C55 H55 . . 118.3 ?
N2 C56 C52 . . 121.8(3) ?
N2 C56 C57 . . 118.2(2) ?
C52 C56 C57 . . 120.0(2) ?
N1 C57 C49 . . 122.7(3) ?
N1 C57 C56 . . 118.1(2) ?
C49 C57 C56 . . 119.2(2) ?
C46 N1 C57 . . 116.5(2) ?
C46 N1 Er1 . . 124.46(18) ?
C57 N1 Er1 . . 119.01(16) ?
C55 N2 C56 . . 117.9(2) ?
C55 N2 Er1 . . 120.82(16) ?
C56 N2 Er1 . . 120.97(16) ?
C16 O1 Er1 . . 91.65(14) ?
C16 O2 Er1 . . 93.20(14) ?
C31 O3 Er1 . 2_666 160.33(16) ?
C31 O3 Er1 . . 92.48(14) ?
Er1 O3 Er1 2_666 . 105.92(6) ?
C31 O4 Er1 . . 97.34(15) ?
C1 O5 Er1 . . 140.14(16) ?
C1 O6 Er1 2_666 . 136.02(15) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Er1 O3 2_666 2.2721(16) yes
Er1 O5 . 2.2727(16) yes
Er1 O6 . 2.3510(16) yes
Er1 O2 . 2.3727(17) yes
Er1 O1 . 2.4024(17) yes
Er1 O4 . 2.5222(18) yes
Er1 N2 . 2.558(2) yes
Er1 O3 . 2.6123(16) yes
Er1 N1 . 2.6132(19) yes
Er1 C16 . 2.747(2) ?
Er1 C31 . 2.951(2) ?
Er1 Er1 2_666 3.9041(2) yes
C1 O5 . 1.260(3) ?
C1 O6 2_666 1.262(3) ?
C1 C2 . 1.518(3) ?
C2 C3 . 1.414(4) ?
C2 C15 . 1.416(4) ?
C3 C4 . 1.432(4) ?
C3 C8 . 1.445(4) ?
C4 C5 . 1.352(4) ?
C4 H4 . 0.9300 ?
C5 C6 . 1.407(4) ?
C5 H5 . 0.9300 ?
C6 C7 . 1.341(4) ?
C6 H6 . 0.9300 ?
C7 C8 . 1.431(4) ?
C7 H7 . 0.9300 ?
C8 C9 . 1.381(4) ?
C9 C10 . 1.394(4) ?
C9 H9 . 0.9300 ?
C10 C11 . 1.429(4) ?
C10 C15 . 1.435(4) ?
C11 C12 . 1.347(5) ?
C11 H11 . 0.9300 ?
C12 C13 . 1.412(5) ?
C12 H12 . 0.9300 ?
C13 C14 . 1.353(4) ?
C13 H13 . 0.9300 ?
C14 C15 . 1.442(4) ?
C14 H14 . 0.9300 ?
C16 O2 . 1.259(3) ?
C16 O1 . 1.266(3) ?
C16 C17 . 1.506(3) ?
C17 C18 . 1.400(3) ?
C17 C30 . 1.402(3) ?
C18 C19 . 1.430(4) ?
C18 C23 . 1.441(4) ?
C19 C20 . 1.357(4) ?
C19 H19 . 0.9300 ?
C20 C21 . 1.409(4) ?
C20 H20 . 0.9300 ?
C21 C22 . 1.351(4) ?
C21 H21 . 0.9300 ?
C22 C23 . 1.419(4) ?
C22 H22 . 0.9300 ?
C23 C24 . 1.383(4) ?
C24 C25 . 1.397(4) ?
C24 H24 . 0.9300 ?
C25 C26 . 1.420(4) ?
C25 C30 . 1.437(3) ?
C26 C27 . 1.352(4) ?
C26 H26 . 0.9300 ?
C27 C28 . 1.416(4) ?
C27 H27 . 0.9300 ?
C28 C29 . 1.359(4) ?
C28 H28 . 0.9300 ?
C29 C30 . 1.425(4) ?
C29 H29 . 0.9300 ?
C31 O4 . 1.243(3) ?
C31 O3 . 1.265(3) ?
C31 C32 . 1.513(3) ?
C32 C45 . 1.398(3) ?
C32 C33 . 1.400(4) ?
C33 C34 . 1.418(4) ?
C33 C38 . 1.436(3) ?
C34 C35 . 1.349(4) ?
C34 H34 . 0.9300 ?
C35 C36 . 1.412(4) ?
C35 H35 . 0.9300 ?
C36 C37 . 1.349(4) ?
C36 H36 . 0.9300 ?
C37 C38 . 1.425(4) ?
C37 H37 . 0.9300 ?
C38 C39 . 1.385(4) ?
C39 C40 . 1.384(4) ?
C39 H39 . 0.9300 ?
C40 C41 . 1.431(4) ?
C40 C45 . 1.441(3) ?
C41 C42 . 1.338(5) ?
C41 H41 . 0.9300 ?
C42 C43 . 1.405(5) ?
C42 H42 . 0.9300 ?
C43 C44 . 1.362(4) ?
C43 H43 . 0.9300 ?
C44 C45 . 1.420(4) ?
C44 H44 . 0.9300 ?
C46 N1 . 1.315(3) ?
C46 C47 . 1.407(4) ?
C46 H46 . 0.9300 ?
C47 C48 . 1.354(5) ?
C47 H47 . 0.9300 ?
C48 C49 . 1.386(4) ?
C48 H48 . 0.9300 ?
C49 C57 . 1.413(3) ?
C49 C50 . 1.440(5) ?
C50 C51 . 1.326(5) ?
C50 H50 . 0.9300 ?
C51 C52 . 1.429(4) ?
C51 H51 . 0.9300 ?
C52 C53 . 1.389(4) ?
C52 C56 . 1.412(4) ?
C53 C54 . 1.353(4) ?
C53 H53 . 0.9300 ?
C54 C55 . 1.397(4) ?
C54 H54 . 0.9300 ?
C55 N2 . 1.323(3) ?
C55 H55 . 0.9300 ?
C56 N2 . 1.364(3) ?
C56 C57 . 1.440(4) ?
C57 N1 . 1.366(3) ?
O3 Er1 2_666 2.2721(16) ?
O6 C1 2_666 1.262(3) ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
C11 H11 Cg1 2_776 0.93 2.75 3.642(5) 162
C50 H50 Cg2 2_766 0.93 2.91 3.668(5) 140
C19 H19 Cg3 1_555 0.93 2.86 3.567(4) 134
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
O5 C1 C2 C3 . . 137.3(2)
O6 C1 C2 C3 2_666 . -42.5(3)
O5 C1 C2 C15 . . -40.1(3)
O6 C1 C2 C15 2_666 . 140.1(2)
C15 C2 C3 C4 . . -178.5(2)
C1 C2 C3 C4 . . 4.2(4)
C15 C2 C3 C8 . . 2.4(4)
C1 C2 C3 C8 . . -175.0(2)
C2 C3 C4 C5 . . -178.0(3)
C8 C3 C4 C5 . . 1.1(4)
C3 C4 C5 C6 . . -0.6(5)
C4 C5 C6 C7 . . -0.2(5)
C5 C6 C7 C8 . . 0.4(5)
C6 C7 C8 C9 . . -177.6(3)
C6 C7 C8 C3 . . 0.2(4)
C2 C3 C8 C9 . . -3.9(4)
C4 C3 C8 C9 . . 176.9(2)
C2 C3 C8 C7 . . 178.3(2)
C4 C3 C8 C7 . . -0.9(4)
C7 C8 C9 C10 . . 178.9(3)
C3 C8 C9 C10 . . 1.2(4)
C8 C9 C10 C11 . . -176.9(3)
C8 C9 C10 C15 . . 3.0(4)
C9 C10 C11 C12 . . -178.1(3)
C15 C10 C11 C12 . . 2.0(4)
C10 C11 C12 C13 . . -0.2(5)
C11 C12 C13 C14 . . -0.8(4)
C12 C13 C14 C15 . . 0.0(4)
C3 C2 C15 C10 . . 1.7(4)
C1 C2 C15 C10 . . 179.1(2)
C3 C2 C15 C14 . . 179.8(2)
C1 C2 C15 C14 . . -2.9(4)
C9 C10 C15 C2 . . -4.4(4)
C11 C10 C15 C2 . . 175.5(2)
C9 C10 C15 C14 . . 177.4(2)
C11 C10 C15 C14 . . -2.7(4)
C13 C14 C15 C2 . . -176.3(2)
C13 C14 C15 C10 . . 1.7(4)
O3 Er1 C16 O2 2_666 . 85.4(3)
O5 Er1 C16 O2 . . -31.79(15)
O6 Er1 C16 O2 . . 172.61(13)
O1 Er1 C16 O2 . . 179.9(2)
O4 Er1 C16 O2 . . -98.90(15)
N2 Er1 C16 O2 . . 103.82(14)
O3 Er1 C16 O2 . . -110.37(14)
N1 Er1 C16 O2 . . 42.10(14)
C31 Er1 C16 O2 . . -105.64(14)
Er1 Er1 C16 O2 2_666 . -115.42(14)
O3 Er1 C16 O1 2_666 . -94.4(3)
O5 Er1 C16 O1 . . 148.31(13)
O6 Er1 C16 O1 . . -7.28(14)
O2 Er1 C16 O1 . . -179.9(2)
O4 Er1 C16 O1 . . 81.21(14)
N2 Er1 C16 O1 . . -76.07(14)
O3 Er1 C16 O1 . . 69.74(15)
N1 Er1 C16 O1 . . -137.79(14)
C31 Er1 C16 O1 . . 74.47(14)
Er1 Er1 C16 O1 2_666 . 64.69(19)
O2 C16 C17 C18 . . -84.8(3)
O1 C16 C17 C18 . . 93.4(3)
O2 C16 C17 C30 . . 100.4(3)
O1 C16 C17 C30 . . -81.5(3)
C30 C17 C18 C19 . . -177.5(2)
C16 C17 C18 C19 . . 7.8(4)
C30 C17 C18 C23 . . 4.2(4)
C16 C17 C18 C23 . . -170.5(2)
C17 C18 C19 C20 . . -179.2(3)
C23 C18 C19 C20 . . -0.9(4)
C18 C19 C20 C21 . . 0.8(5)
C19 C20 C21 C22 . . 0.4(5)
C20 C21 C22 C23 . . -1.4(5)
C21 C22 C23 C24 . . -180.0(3)
C21 C22 C23 C18 . . 1.2(4)
C17 C18 C23 C24 . . -0.6(4)
C19 C18 C23 C24 . . -178.9(2)
C17 C18 C23 C22 . . 178.3(2)
C19 C18 C23 C22 . . -0.1(4)
C22 C23 C24 C25 . . 178.4(3)
C18 C23 C24 C25 . . -2.8(4)
C23 C24 C25 C26 . . -179.6(2)
C23 C24 C25 C30 . . 2.5(4)
C24 C25 C26 C27 . . -178.7(3)
C30 C25 C26 C27 . . -0.8(4)
C25 C26 C27 C28 . . -1.0(4)
C26 C27 C28 C29 . . 2.3(4)
C27 C28 C29 C30 . . -1.8(4)
C18 C17 C30 C29 . . 177.5(2)
C16 C17 C30 C29 . . -7.8(4)
C18 C17 C30 C25 . . -4.5(4)
C16 C17 C30 C25 . . 170.2(2)
C28 C29 C30 C17 . . 178.0(2)
C28 C29 C30 C25 . . 0.0(4)
C24 C25 C30 C17 . . 1.1(3)
C26 C25 C30 C17 . . -176.8(2)
C24 C25 C30 C29 . . 179.2(2)
C26 C25 C30 C29 . . 1.3(3)
O3 Er1 C31 O4 2_666 . -167.36(16)
O5 Er1 C31 O4 . . -94.70(17)
O6 Er1 C31 O4 . . 119.80(17)
O2 Er1 C31 O4 . . -11.31(17)
O1 Er1 C31 O4 . . 41.77(16)
N2 Er1 C31 O4 . . 85.7(2)
O3 Er1 C31 O4 . . -174.2(3)
N1 Er1 C31 O4 . . -88.4(2)
C16 Er1 C31 O4 . . 15.40(17)
Er1 Er1 C31 O4 2_666 . -169.64(18)
O3 Er1 C31 O3 2_666 . 6.86(17)
O5 Er1 C31 O3 . . 79.52(14)
O6 Er1 C31 O3 . . -65.98(13)
O2 Er1 C31 O3 . . 162.91(13)
O1 Er1 C31 O3 . . -144.01(14)
O4 Er1 C31 O3 . . 174.2(3)
N2 Er1 C31 O3 . . -100.08(17)
N1 Er1 C31 O3 . . 85.83(18)
C16 Er1 C31 O3 . . -170.38(14)
Er1 Er1 C31 O3 2_666 . 4.58(11)
O4 C31 C32 C45 . . -83.1(3)
O3 C31 C32 C45 . . 95.7(3)
O4 C31 C32 C33 . . 97.3(3)
O3 C31 C32 C33 . . -83.8(3)
C45 C32 C33 C34 . . 179.5(2)
C31 C32 C33 C34 . . -0.9(4)
C45 C32 C33 C38 . . 0.1(4)
C31 C32 C33 C38 . . 179.6(2)
C32 C33 C34 C35 . . -178.2(3)
C38 C33 C34 C35 . . 1.3(4)
C33 C34 C35 C36 . . -0.3(4)
C34 C35 C36 C37 . . -0.4(5)
C35 C36 C37 C38 . . 0.1(4)
C36 C37 C38 C39 . . 179.2(3)
C36 C37 C38 C33 . . 0.9(4)
C32 C33 C38 C39 . . -0.4(4)
C34 C33 C38 C39 . . -179.9(2)
C32 C33 C38 C37 . . 178.0(2)
C34 C33 C38 C37 . . -1.5(4)
C37 C38 C39 C40 . . -178.0(3)
C33 C38 C39 C40 . . 0.3(4)
C38 C39 C40 C41 . . 179.9(3)
C38 C39 C40 C45 . . 0.2(4)
C39 C40 C41 C42 . . 179.7(3)
C45 C40 C41 C42 . . -0.6(5)
C40 C41 C42 C43 . . -0.4(5)
C41 C42 C43 C44 . . 1.0(5)
C42 C43 C44 C45 . . -0.7(5)
C33 C32 C45 C44 . . 179.2(2)
C31 C32 C45 C44 . . -0.4(4)
C33 C32 C45 C40 . . 0.4(4)
C31 C32 C45 C40 . . -179.2(2)
C43 C44 C45 C32 . . -179.1(3)
C43 C44 C45 C40 . . -0.2(4)
C39 C40 C45 C32 . . -0.5(4)
C41 C40 C45 C32 . . 179.8(2)
C39 C40 C45 C44 . . -179.4(2)
C41 C40 C45 C44 . . 0.9(4)
N1 C46 C47 C48 . . -1.8(5)
C46 C47 C48 C49 . . 1.0(5)
C47 C48 C49 C57 . . 0.5(4)
C47 C48 C49 C50 . . -178.9(3)
C48 C49 C50 C51 . . 178.7(3)
C57 C49 C50 C51 . . -0.8(5)
C49 C50 C51 C52 . . 1.4(5)
C50 C51 C52 C53 . . -179.5(3)
C50 C51 C52 C56 . . -0.3(5)
C56 C52 C53 C54 . . 0.3(4)
C51 C52 C53 C54 . . 179.5(3)
C52 C53 C54 C55 . . 0.6(4)
C53 C54 C55 N2 . . -0.4(4)
C53 C52 C56 N2 . . -1.4(4)
C51 C52 C56 N2 . . 179.3(3)
C53 C52 C56 C57 . . 177.9(3)
C51 C52 C56 C57 . . -1.4(4)
C48 C49 C57 N1 . . -1.5(4)
C50 C49 C57 N1 . . 178.0(3)
C48 C49 C57 C56 . . 179.6(3)
C50 C49 C57 C56 . . -0.9(4)
N2 C56 C57 N1 . . 2.3(3)
C52 C56 C57 N1 . . -177.0(2)
N2 C56 C57 C49 . . -178.7(2)
C52 C56 C57 C49 . . 2.0(4)
C47 C46 N1 C57 . . 0.9(4)
C47 C46 N1 Er1 . . 179.7(2)
C49 C57 N1 C46 . . 0.7(4)
C56 C57 N1 C46 . . 179.7(2)
C49 C57 N1 Er1 . . -178.10(19)
C56 C57 N1 Er1 . . 0.8(3)
O3 Er1 N1 C46 2_666 . 81.7(2)
O5 Er1 N1 C46 . . 2.1(2)
O6 Er1 N1 C46 . . 139.8(2)
O2 Er1 N1 C46 . . -89.7(2)
O1 Er1 N1 C46 . . -128.0(2)
O4 Er1 N1 C46 . . -43.6(2)
N2 Er1 N1 C46 . . 179.2(2)
O3 Er1 N1 C46 . . 35.1(2)
C16 Er1 N1 C46 . . -108.3(2)
C31 Er1 N1 C46 . . -4.2(3)
Er1 Er1 N1 C46 2_666 . 61.2(2)
O3 Er1 N1 C57 2_666 . -99.53(18)
O5 Er1 N1 C57 . . -179.12(18)
O6 Er1 N1 C57 . . -41.5(2)
O2 Er1 N1 C57 . . 89.08(17)
O1 Er1 N1 C57 . . 50.74(18)
O4 Er1 N1 C57 . . 135.17(16)
N2 Er1 N1 C57 . . -2.08(16)
O3 Er1 N1 C57 . . -146.13(15)
C16 Er1 N1 C57 . . 70.41(18)
C31 Er1 N1 C57 . . 174.58(15)
Er1 Er1 N1 C57 2_666 . -120.06(16)
C54 C55 N2 C56 . . -0.7(4)
C54 C55 N2 Er1 . . -174.0(2)
C52 C56 N2 C55 . . 1.6(4)
C57 C56 N2 C55 . . -177.8(2)
C52 C56 N2 Er1 . . 174.87(19)
C57 C56 N2 Er1 . . -4.4(3)
O3 Er1 N2 C55 2_666 . -109.13(19)
O5 Er1 N2 C55 . . -179.33(17)
O6 Er1 N2 C55 . . -35.06(18)
O2 Er1 N2 C55 . . 101.89(19)
O1 Er1 N2 C55 . . 47.16(18)
O4 Er1 N2 C55 . . 40.6(2)
O3 Er1 N2 C55 . . -46.9(2)
N1 Er1 N2 C55 . . 176.5(2)
C16 Er1 N2 C55 . . 75.34(19)
C31 Er1 N2 C55 . . 0.1(3)
Er1 Er1 N2 C55 2_666 . -84.98(19)
O3 Er1 N2 C56 2_666 . 77.75(18)
O5 Er1 N2 C56 . . 7.6(2)
O6 Er1 N2 C56 . . 151.83(19)
O2 Er1 N2 C56 . . -71.22(18)
O1 Er1 N2 C56 . . -125.95(18)
O4 Er1 N2 C56 . . -132.49(17)
O3 Er1 N2 C56 . . 140.01(16)
N1 Er1 N2 C56 . . 3.37(17)
C16 Er1 N2 C56 . . -97.78(18)
C31 Er1 N2 C56 . . -173.02(16)
Er1 Er1 N2 C56 2_666 . 101.91(17)
O2 C16 O1 Er1 . . -0.1(2)
C17 C16 O1 Er1 . . -178.29(18)
O3 Er1 O1 C16 2_666 . 150.15(14)
O5 Er1 O1 C16 . . -42.06(16)
O6 Er1 O1 C16 . . 172.80(14)
O2 Er1 O1 C16 . . 0.06(13)
O4 Er1 O1 C16 . . -88.67(14)
N2 Er1 O1 C16 . . 95.81(14)
O3 Er1 O1 C16 . . -121.30(13)
N1 Er1 O1 C16 . . 46.86(15)
C31 Er1 O1 C16 . . -106.00(14)
Er1 Er1 O1 C16 2_666 . -145.34(12)
O1 C16 O2 Er1 . . 0.1(2)
C17 C16 O2 Er1 . . 178.22(19)
O3 Er1 O2 C16 2_666 . -151.89(14)
O5 Er1 O2 C16 . . 150.41(14)
O6 Er1 O2 C16 . . -9.61(17)
O1 Er1 O2 C16 . . -0.06(13)
O4 Er1 O2 C16 . . 73.36(14)
N2 Er1 O2 C16 . . -71.41(14)
O3 Er1 O2 C16 . . 87.07(15)
N1 Er1 O2 C16 . . -135.72(15)
C31 Er1 O2 C16 . . 78.19(15)
Er1 Er1 O2 C16 2_666 . 120.91(13)
O4 C31 O3 Er1 . 2_666 -153.8(3)
C32 C31 O3 Er1 . 2_666 27.3(6)
Er1 C31 O3 Er1 . 2_666 -159.5(5)
O4 C31 O3 Er1 . . 5.7(2)
C32 C31 O3 Er1 . . -173.23(19)
O3 Er1 O3 C31 2_666 . -172.96(17)
O5 Er1 O3 C31 . . -92.05(14)
O6 Er1 O3 C31 . . 108.10(14)
O2 Er1 O3 C31 . . -20.70(16)
O1 Er1 O3 C31 . . 38.00(14)
O4 Er1 O3 C31 . . -3.15(14)
N2 Er1 O3 C31 . . 120.07(15)
N1 Er1 O3 C31 . . -125.76(14)
C16 Er1 O3 C31 . . 11.06(16)
Er1 Er1 O3 C31 2_666 . -172.96(17)
O3 Er1 O3 Er1 2_666 2_666 0.0
O5 Er1 O3 Er1 . 2_666 80.90(7)
O6 Er1 O3 Er1 . 2_666 -78.94(7)
O2 Er1 O3 Er1 . 2_666 152.26(6)
O1 Er1 O3 Er1 . 2_666 -149.04(6)
O4 Er1 O3 Er1 . 2_666 169.81(11)
N2 Er1 O3 Er1 . 2_666 -66.97(12)
N1 Er1 O3 Er1 . 2_666 47.20(11)
C16 Er1 O3 Er1 . 2_666 -175.99(7)
C31 Er1 O3 Er1 . 2_666 172.96(17)
O3 C31 O4 Er1 . . -5.9(3)
C32 C31 O4 Er1 . . 172.9(2)
O3 Er1 O4 C31 2_666 . 14.97(19)
O5 Er1 O4 C31 . . 78.62(16)
O6 Er1 O4 C31 . . -59.11(16)
O2 Er1 O4 C31 . . 168.63(17)
O1 Er1 O4 C31 . . -134.61(17)
N2 Er1 O4 C31 . . -127.99(16)
O3 Er1 O4 C31 . . 3.23(14)
N1 Er1 O4 C31 . . 123.53(16)
C16 Er1 O4 C31 . . -163.74(18)
Er1 Er1 O4 C31 2_666 . 8.95(15)
O6 C1 O5 Er1 2_666 . -1.2(4)
C2 C1 O5 Er1 . . 178.95(15)
O3 Er1 O5 C1 2_666 . 36.0(2)
O6 Er1 O5 C1 . . -12.9(3)
O2 Er1 O5 C1 . . -171.0(2)
O1 Er1 O5 C1 . . -137.8(2)
O4 Er1 O5 C1 . . -93.5(2)
N2 Er1 O5 C1 . . 111.5(2)
O3 Er1 O5 C1 . . -41.6(2)
N1 Er1 O5 C1 . . 115.4(2)
C16 Er1 O5 C1 . . -157.0(2)
C31 Er1 O5 C1 . . -68.2(2)
Er1 Er1 O5 C1 2_666 . -5.3(2)
O3 Er1 O6 C1 2_666 2_666 -29.2(2)
O5 Er1 O6 C1 . 2_666 20.2(3)
O2 Er1 O6 C1 . 2_666 170.1(2)
O1 Er1 O6 C1 . 2_666 162.2(2)
O4 Er1 O6 C1 . 2_666 94.4(2)
N2 Er1 O6 C1 . 2_666 -124.1(2)
O3 Er1 O6 C1 . 2_666 48.7(2)
N1 Er1 O6 C1 . 2_666 -87.8(2)
C16 Er1 O6 C1 . 2_666 165.6(2)
C31 Er1 O6 C1 . 2_666 73.1(2)
Er1 Er1 O6 C1 2_666 2_666 12.6(2)
