#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/23/7222324.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_7222324
loop_
_publ_author_name
'An, Ran'
'Wang, Xiaofang'
'Hu, Huai-Ming'
'Zhao, Zhui'
'Bai, Chao'
'Xue, Ganglin'
_publ_section_title
;
 Controllable synthesis of four series of lanthanide coordination
 polymers: synthesis, structures, luminescent and magnetic properties
;
_journal_issue                   43
_journal_name_full               CrystEngComm
_journal_page_first              8289
_journal_paper_doi               10.1039/C5CE01675D
_journal_volume                  17
_journal_year                    2015
_chemical_formula_sum            'C24 H19 Er N4 O8 S'
_chemical_formula_weight         690.75
_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
_audit_update_record
;
2015-09-22 deposited with the CCDC.
2015-09-28 downloaded from the CCDC.
;
_cell_angle_alpha                94.059(16)
_cell_angle_beta                 91.016(14)
_cell_angle_gamma                98.053(16)
_cell_formula_units_Z            2
_cell_length_a                   8.872(7)
_cell_length_b                   9.023(8)
_cell_length_c                   14.475(12)
_cell_measurement_reflns_used    1003
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      20.75
_cell_measurement_theta_min      2.32
_cell_volume                     1144.0(17)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.963
_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  0.0934
_diffrn_reflns_av_sigmaI/netI    0.2505
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            5318
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         2.29
_exptl_absorpt_coefficient_mu    3.821
_exptl_absorpt_correction_T_max  0.863
_exptl_absorpt_correction_T_min  0.713
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.005
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             678
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.101
_refine_diff_density_min         -2.896
_refine_diff_density_rms         0.256
_refine_ls_extinction_coef       0.0058(15)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.958
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     344
_refine_ls_number_reflns         3902
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      0.958
_refine_ls_R_factor_all          0.1800
_refine_ls_R_factor_gt           0.0987
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1052P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1945
_refine_ls_wR_factor_ref         0.2360
_reflns_number_gt                1868
_reflns_number_total             3902
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ce01675d2.cif
_cod_data_source_block           nw1805
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/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 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 7222315--7222326.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7222324
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
Er1 Er -0.05502(11) 0.43721(13) 0.84589(7) 0.0374(5) Uani 1 1 d .
S1 S 0.4604(6) 0.5824(7) 0.2351(4) 0.0460(16) Uani 1 1 d .
N1 N -0.052(2) 0.634(2) 0.7338(12) 0.044(5) Uani 1 1 d .
N2 N 0.067(2) 0.383(2) 0.6937(13) 0.051(5) Uani 1 1 d .
N3 N 0.2254(19) 0.8339(18) 0.4656(13) 0.041(5) Uani 1 1 d .
N4 N 0.323(2) 0.625(2) 0.4365(11) 0.047(5) Uani 1 1 d .
H4 H 0.3781 0.5628 0.4118 0.057 Uiso 1 1 calc R
O1 O 0.2986(15) 0.5511(17) 0.2149(11) 0.050(4) Uani 1 1 d .
O2 O 0.5008(16) 0.4976(17) 0.3112(10) 0.048(4) Uani 1 1 d .
O3 O 0.5522(18) 0.5579(19) 0.1555(10) 0.057(4) Uani 1 1 d .
O4 O 0.1188(16) 0.2986(18) 0.9034(10) 0.050(4) Uani 1 1 d .
O5 O 0.1035(18) 0.3918(16) 1.0474(9) 0.047(4) Uani 1 1 d .
O6 O 0.2123(16) -0.2881(17) 1.0524(10) 0.051(4) Uani 1 1 d .
O7 O 0.1586(15) -0.1850(18) 1.1866(10) 0.049(4) Uani 1 1 d .
C1 C -0.108(2) 0.756(3) 0.7476(16) 0.053(7) Uani 1 1 d .
H1 H -0.1644 0.7640 0.8010 0.064 Uiso 1 1 calc R
C2 C -0.098(2) 0.883(2) 0.6927(14) 0.041(6) Uani 1 1 d .
H2 H -0.1482 0.9651 0.7059 0.049 Uiso 1 1 calc R
C3 C -0.002(2) 0.870(2) 0.6165(15) 0.039(6) Uani 1 1 d .
H3 H 0.0113 0.9464 0.5763 0.046 Uiso 1 1 calc R
C4 C 0.069(2) 0.749(3) 0.6010(13) 0.042(6) Uani 1 1 d .
C5 C 0.164(2) 0.730(2) 0.5242(13) 0.029(5) Uani 1 1 d .
C6 C 0.227(2) 0.601(3) 0.5076(13) 0.042(6) Uani 1 1 d .
C7 C 0.194(2) 0.473(2) 0.5607(15) 0.030(5) Uani 1 1 d .
C8 C 0.246(2) 0.336(2) 0.5389(14) 0.036(5) Uani 1 1 d .
H8 H 0.3037 0.3228 0.4869 0.043 Uiso 1 1 calc R
C9 C 0.211(2) 0.225(3) 0.5948(15) 0.045(6) Uani 1 1 d .
H9 H 0.2432 0.1326 0.5823 0.054 Uiso 1 1 calc R
C10 C 0.119(2) 0.254(3) 0.6773(15) 0.043(6) Uani 1 1 d .
H10 H 0.0979 0.1797 0.7183 0.052 Uiso 1 1 calc R
C11 C 0.101(2) 0.492(3) 0.6348(13) 0.036(5) Uani 1 1 d .
C12 C 0.042(2) 0.627(3) 0.6581(15) 0.044(6) Uani 1 1 d .
C13 C 0.315(2) 0.767(3) 0.4117(14) 0.037(6) Uani 1 1 d .
C14 C 0.423(2) 0.843(3) 0.3440(14) 0.044(6) Uani 1 1 d .
C15 C 0.455(2) 1.005(3) 0.3639(14) 0.038(5) Uani 1 1 d .
H15 H 0.4067 1.0520 0.4119 0.045 Uiso 1 1 calc R
C16 C 0.555(2) 1.085(3) 0.3113(17) 0.050(7) Uani 1 1 d .
H16 H 0.5776 1.1881 0.3248 0.060 Uiso 1 1 calc R
C17 C 0.626(3) 1.020(3) 0.2384(19) 0.066(8) Uani 1 1 d .
H17 H 0.6895 1.0781 0.2006 0.079 Uiso 1 1 calc R
C18 C 0.601(2) 0.865(3) 0.2226(14) 0.047(6) Uani 1 1 d .
H18 H 0.6561 0.8192 0.1778 0.057 Uiso 1 1 calc R
C19 C 0.495(2) 0.777(2) 0.2715(16) 0.046(6) Uani 1 1 d .
C20 C 0.162(2) 0.307(2) 0.9884(16) 0.035(5) Uani 1 1 d .
C21 C 0.281(2) 0.221(2) 1.0214(13) 0.036(5) Uani 1 1 d .
H21A H 0.3261 0.2670 1.0798 0.043 Uiso 1 1 calc R
H21B H 0.3606 0.2193 0.9765 0.043 Uiso 1 1 calc R
C22 C 0.206(3) 0.062(3) 1.0339(15) 0.054(7) Uani 1 1 d .
H22A H 0.1151 0.0662 1.0696 0.065 Uiso 1 1 calc R
H22B H 0.1746 0.0125 0.9735 0.065 Uiso 1 1 calc R
C23 C 0.306(3) -0.031(3) 1.0811(15) 0.049(6) Uani 1 1 d .
H23A H 0.3543 0.0280 1.1351 0.058 Uiso 1 1 calc R
H23B H 0.3861 -0.0519 1.0394 0.058 Uiso 1 1 calc R
C24 C 0.226(2) -0.178(3) 1.1115(14) 0.039(5) Uani 1 1 d U
O8 O 0.1889(17) 0.6004(18) 0.8682(11) 0.062(5) 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'
Er Er -0.2586 4.9576 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O5 Er1 O4 109.8(5) 2_567 .
O5 Er1 O1 86.1(6) 2_567 2_566
O4 Er1 O1 149.5(5) . 2_566
O5 Er1 O7 132.2(5) 2_567 2_557
O4 Er1 O7 73.9(5) . 2_557
O1 Er1 O7 76.1(5) 2_566 2_557
O5 Er1 O6 78.4(5) 2_567 2_557
O4 Er1 O6 79.6(5) . 2_557
O1 Er1 O6 78.3(5) 2_566 2_557
O7 Er1 O6 54.8(5) 2_557 2_557
O5 Er1 O8 77.0(5) 2_567 .
O4 Er1 O8 72.1(6) . .
O1 Er1 O8 138.2(6) 2_566 .
O7 Er1 O8 141.6(5) 2_557 .
O6 Er1 O8 133.1(6) 2_557 .
O5 Er1 N1 86.9(5) 2_567 .
O4 Er1 N1 136.0(5) . .
O1 Er1 N1 68.3(5) 2_566 .
O7 Er1 N1 124.5(6) 2_557 .
O6 Er1 N1 144.3(6) 2_557 .
O8 Er1 N1 72.7(6) . .
O5 Er1 N2 147.0(6) 2_567 .
O4 Er1 N2 83.8(6) . .
O1 Er1 N2 96.9(6) 2_566 .
O7 Er1 N2 79.9(5) 2_557 .
O6 Er1 N2 134.5(6) 2_557 .
O8 Er1 N2 79.1(5) . .
N1 Er1 N2 64.3(6) . .
O5 Er1 C24 105.4(6) 2_567 2_557
O4 Er1 C24 75.8(6) . 2_557
O1 Er1 C24 74.9(6) 2_566 2_557
O7 Er1 C24 27.3(5) 2_557 2_557
O6 Er1 C24 27.5(5) 2_557 2_557
O8 Er1 C24 146.3(6) . 2_557
N1 Er1 C24 140.3(6) . 2_557
N2 Er1 C24 107.2(6) . 2_557
O1 S1 O3 113.5(10) . .
O1 S1 O2 110.2(9) . .
O3 S1 O2 111.4(10) . .
O1 S1 C19 105.0(10) . .
O3 S1 C19 107.7(10) . .
O2 S1 C19 108.7(10) . .
C1 N1 C12 116(2) . .
C1 N1 Er1 125.0(15) . .
C12 N1 Er1 118.2(14) . .
C10 N2 C11 119.2(18) . .
C10 N2 Er1 119.4(15) . .
C11 N2 Er1 120.7(14) . .
C13 N3 C5 106.6(17) . .
C6 N4 C13 107(2) . .
C6 N4 H4 126.5 . .
C13 N4 H4 126.5 . .
S1 O1 Er1 162.3(9) . 2_566
C20 O4 Er1 123.8(14) . .
C20 O5 Er1 167.3(14) . 2_567
C24 O6 Er1 90.6(12) . 2_557
C24 O7 Er1 93.3(14) . 2_557
N1 C1 C2 129(2) . .
N1 C1 H1 115.4 . .
C2 C1 H1 115.4 . .
C3 C2 C1 113.0(19) . .
C3 C2 H2 123.5 . .
C1 C2 H2 123.5 . .
C4 C3 C2 121.0(19) . .
C4 C3 H3 119.5 . .
C2 C3 H3 119.5 . .
C3 C4 C12 120.5(18) . .
C3 C4 C5 123.0(19) . .
C12 C4 C5 116(2) . .
C6 C5 N3 109.0(17) . .
C6 C5 C4 121.2(19) . .
N3 C5 C4 129.1(19) . .
N4 C6 C5 107(2) . .
N4 C6 C7 130(2) . .
C5 C6 C7 123.4(17) . .
C11 C7 C8 121.6(19) . .
C11 C7 C6 114.7(17) . .
C8 C7 C6 123.7(18) . .
C9 C8 C7 118.3(19) . .
C9 C8 H8 120.8 . .
C7 C8 H8 120.8 . .
C8 C9 C10 118(2) . .
C8 C9 H9 120.8 . .
C10 C9 H9 120.8 . .
N2 C10 C9 121(2) . .
N2 C10 H10 119.3 . .
C9 C10 H10 119.3 . .
N2 C11 C7 120.9(19) . .
N2 C11 C12 115.5(18) . .
C7 C11 C12 123.5(19) . .
N1 C12 C11 118.8(19) . .
N1 C12 C4 121(2) . .
C11 C12 C4 120.5(19) . .
N3 C13 N4 110.8(17) . .
N3 C13 C14 125(2) . .
N4 C13 C14 123(2) . .
C19 C14 C15 119.3(19) . .
C19 C14 C13 128(2) . .
C15 C14 C13 112.9(18) . .
C16 C15 C14 119(2) . .
C16 C15 H15 120.7 . .
C14 C15 H15 120.7 . .
C15 C16 C17 122(2) . .
C15 C16 H16 118.8 . .
C17 C16 H16 118.8 . .
C16 C17 C18 119(2) . .
C16 C17 H17 120.7 . .
C18 C17 H17 120.7 . .
C19 C18 C17 122(2) . .
C19 C18 H18 119.1 . .
C17 C18 H18 119.1 . .
C18 C19 C14 119(2) . .
C18 C19 S1 116.7(17) . .
C14 C19 S1 124.4(16) . .
O5 C20 O4 120(2) . .
O5 C20 C21 118.2(19) . .
O4 C20 C21 122(2) . .
C20 C21 C22 108.1(17) . .
C20 C21 H21A 110.1 . .
C22 C21 H21A 110.1 . .
C20 C21 H21B 110.1 . .
C22 C21 H21B 110.1 . .
H21A C21 H21B 108.4 . .
C23 C22 C21 113.9(19) . .
C23 C22 H22A 108.8 . .
C21 C22 H22A 108.8 . .
C23 C22 H22B 108.8 . .
C21 C22 H22B 108.8 . .
H22A C22 H22B 107.7 . .
C22 C23 C24 114.9(19) . .
C22 C23 H23A 108.5 . .
C24 C23 H23A 108.5 . .
C22 C23 H23B 108.5 . .
C24 C23 H23B 108.5 . .
H23A C23 H23B 107.5 . .
O7 C24 O6 121(2) . .
O7 C24 C23 122(2) . .
O6 C24 C23 116.5(19) . .
O7 C24 Er1 59.3(12) . 2_557
O6 C24 Er1 61.9(11) . 2_557
C23 C24 Er1 173.6(15) . 2_557
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Er1 O5 2.196(15) 2_567
Er1 O4 2.297(17) .
Er1 O1 2.338(14) 2_566
Er1 O7 2.343(16) 2_557
Er1 O6 2.398(13) 2_557
Er1 O8 2.444(14) .
Er1 N1 2.489(19) .
Er1 N2 2.521(17) .
Er1 C24 2.72(2) 2_557
S1 O1 1.444(14) .
S1 O3 1.446(15) .
S1 O2 1.452(16) .
S1 C19 1.78(2) .
N1 C1 1.28(3) .
N1 C12 1.39(3) .
N2 C10 1.32(3) .
N2 C11 1.35(3) .
N3 C13 1.30(3) .
N3 C5 1.37(2) .
N4 C6 1.36(2) .
N4 C13 1.37(3) .
N4 H4 0.8600 .
O1 Er1 2.338(14) 2_566
O4 C20 1.28(2) .
O5 C20 1.27(2) .
O5 Er1 2.196(15) 2_567
O6 C24 1.26(2) .
O6 Er1 2.398(13) 2_557
O7 C24 1.25(2) .
O7 Er1 2.343(16) 2_557
C1 C2 1.43(3) .
C1 H1 0.9300 .
C2 C3 1.41(3) .
C2 H2 0.9300 .
C3 C4 1.34(3) .
C3 H3 0.9300 .
C4 C12 1.42(3) .
C4 C5 1.42(2) .
C5 C6 1.36(3) .
C6 C7 1.44(3) .
C7 C11 1.38(3) .
C7 C8 1.39(3) .
C8 C9 1.34(3) .
C8 H8 0.9300 .
C9 C10 1.48(3) .
C9 H9 0.9300 .
C10 H10 0.9300 .
C11 C12 1.41(3) .
C13 C14 1.51(3) .
C14 C19 1.38(3) .
C14 C15 1.45(3) .
C15 C16 1.35(3) .
C15 H15 0.9300 .
C16 C17 1.38(3) .
C16 H16 0.9300 .
C17 C18 1.38(3) .
C17 H17 0.9300 .
C18 C19 1.38(3) .
C18 H18 0.9300 .
C20 C21 1.49(3) .
C21 C22 1.52(3) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 C23 1.49(3) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 C24 1.51(3) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 Er1 2.72(2) 2_557
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O5 Er1 N1 C1 -18(2) 2_567 .
O4 Er1 N1 C1 -133.2(18) . .
O1 Er1 N1 C1 69.4(19) 2_566 .
O7 Er1 N1 C1 123.5(19) 2_557 .
O6 Er1 N1 C1 47(2) 2_557 .
O8 Er1 N1 C1 -95(2) . .
N2 Er1 N1 C1 179(2) . .
C24 Er1 N1 C1 93(2) 2_557 .
O5 Er1 N1 C12 149.4(16) 2_567 .
O4 Er1 N1 C12 34(2) . .
O1 Er1 N1 C12 -123.5(17) 2_566 .
O7 Er1 N1 C12 -69.4(17) 2_557 .
O6 Er1 N1 C12 -145.4(15) 2_557 .
O8 Er1 N1 C12 72.0(16) . .
N2 Er1 N1 C12 -13.9(15) . .
C24 Er1 N1 C12 -100.1(18) 2_557 .
O5 Er1 N2 C10 150.7(15) 2_567 .
O4 Er1 N2 C10 33.5(17) . .
O1 Er1 N2 C10 -115.7(17) 2_566 .
O7 Er1 N2 C10 -41.2(16) 2_557 .
O6 Er1 N2 C10 -35(2) 2_557 .
O8 Er1 N2 C10 106.4(17) . .
N1 Er1 N2 C10 -177.6(19) . .
C24 Er1 N2 C10 -39.4(18) 2_557 .
O5 Er1 N2 C11 -20(2) 2_567 .
O4 Er1 N2 C11 -136.7(17) . .
O1 Er1 N2 C11 74.0(16) 2_566 .
O7 Er1 N2 C11 148.5(17) 2_557 .
O6 Er1 N2 C11 154.4(14) 2_557 .
O8 Er1 N2 C11 -63.8(16) . .
N1 Er1 N2 C11 12.1(15) . .
C24 Er1 N2 C11 150.3(16) 2_557 .
O3 S1 O1 Er1 -65(4) . 2_566
O2 S1 O1 Er1 169(3) . 2_566
C19 S1 O1 Er1 53(4) . 2_566
O5 Er1 O4 C20 9.3(15) 2_567 .
O1 Er1 O4 C20 -108.6(17) 2_566 .
O7 Er1 O4 C20 -120.4(15) 2_557 .
O6 Er1 O4 C20 -64.3(14) 2_557 .
O8 Er1 O4 C20 77.8(15) . .
N1 Er1 O4 C20 116.2(14) . .
N2 Er1 O4 C20 158.3(15) . .
C24 Er1 O4 C20 -92.1(15) 2_557 .
C12 N1 C1 C2 5(4) . .
Er1 N1 C1 C2 172.3(17) . .
N1 C1 C2 C3 -4(4) . .
C1 C2 C3 C4 0(3) . .
C2 C3 C4 C12 4(4) . .
C2 C3 C4 C5 179(2) . .
C13 N3 C5 C6 4(2) . .
C13 N3 C5 C4 174(2) . .
C3 C4 C5 C6 -176(2) . .
C12 C4 C5 C6 0(3) . .
C3 C4 C5 N3 14(4) . .
C12 C4 C5 N3 -170(2) . .
C13 N4 C6 C5 0(2) . .
C13 N4 C6 C7 -179(2) . .
N3 C5 C6 N4 -2(2) . .
C4 C5 C6 N4 -173.7(18) . .
N3 C5 C6 C7 176.4(18) . .
C4 C5 C6 C7 5(3) . .
N4 C6 C7 C11 174(2) . .
C5 C6 C7 C11 -4(3) . .
N4 C6 C7 C8 -8(4) . .
C5 C6 C7 C8 174(2) . .
C11 C7 C8 C9 -4(3) . .
C6 C7 C8 C9 178.4(19) . .
C7 C8 C9 C10 0(3) . .
C11 N2 C10 C9 -1(3) . .
Er1 N2 C10 C9 -171.4(14) . .
C8 C9 C10 N2 3(3) . .
C10 N2 C11 C7 -3(3) . .
Er1 N2 C11 C7 167.2(15) . .
C10 N2 C11 C12 -179(2) . .
Er1 N2 C11 C12 -9(3) . .
C8 C7 C11 N2 6(3) . .
C6 C7 C11 N2 -176.2(19) . .
C8 C7 C11 C12 -179(2) . .
C6 C7 C11 C12 0(3) . .
C1 N1 C12 C11 -176(2) . .
Er1 N1 C12 C11 16(3) . .
C1 N1 C12 C4 -1(3) . .
Er1 N1 C12 C4 -169.3(16) . .
N2 C11 C12 N1 -5(3) . .
C7 C11 C12 N1 179(2) . .
N2 C11 C12 C4 -179(2) . .
C7 C11 C12 C4 5(3) . .
C3 C4 C12 N1 -3(3) . .
C5 C4 C12 N1 -179(2) . .
C3 C4 C12 C11 172(2) . .
C5 C4 C12 C11 -4(3) . .
C5 N3 C13 N4 -4(2) . .
C5 N3 C13 C14 -171.8(19) . .
C6 N4 C13 N3 3(3) . .
C6 N4 C13 C14 171.0(19) . .
N3 C13 C14 C19 -164(2) . .
N4 C13 C14 C19 29(4) . .
N3 C13 C14 C15 19(3) . .
N4 C13 C14 C15 -148(2) . .
C19 C14 C15 C16 -1(3) . .
C13 C14 C15 C16 177(2) . .
C14 C15 C16 C17 1(3) . .
C15 C16 C17 C18 -4(4) . .
C16 C17 C18 C19 7(4) . .
C17 C18 C19 C14 -6(4) . .
C17 C18 C19 S1 173(2) . .
C15 C14 C19 C18 3(3) . .
C13 C14 C19 C18 -174(2) . .
C15 C14 C19 S1 -176.6(17) . .
C13 C14 C19 S1 7(4) . .
O1 S1 C19 C18 -123.2(19) . .
O3 S1 C19 C18 -2(2) . .
O2 S1 C19 C18 118.8(19) . .
O1 S1 C19 C14 56(2) . .
O3 S1 C19 C14 178(2) . .
O2 S1 C19 C14 -62(2) . .
Er1 O5 C20 O4 -120(6) 2_567 .
Er1 O5 C20 C21 60(7) 2_567 .
Er1 O4 C20 O5 3(2) . .
Er1 O4 C20 C21 -176.8(13) . .
O5 C20 C21 C22 99(2) . .
O4 C20 C21 C22 -81(2) . .
C20 C21 C22 C23 -170.6(18) . .
C21 C22 C23 C24 168.4(18) . .
Er1 O7 C24 O6 3(2) 2_557 .
Er1 O7 C24 C23 172.6(18) 2_557 .
Er1 O6 C24 O7 -3(2) 2_557 .
Er1 O6 C24 C23 -173.0(17) 2_557 .
C22 C23 C24 O7 -84(3) . .
C22 C23 C24 O6 86(3) . .
C22 C23 C24 Er1 13(15) . 2_557
