#------------------------------------------------------------------------------
#$Date: 2016-03-26 20:44:10 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180446 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/15/7211554.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_7211554
loop_
_publ_author_name
'Fan, Jun'
'Wang, Zhi-Hong'
'Yang, Ming'
'Yin, Xia'
'Zhang, Wei-Guang'
'Huang, Zhuo-Fen'
'Zeng, Rong-Hua'
_publ_section_title
;
 Controlled synthesis, structures and properties of one-, two-, and
 three-dimensional lanthanide coordination polymers based on
 (8-quinolyloxy)acetate
;
_journal_issue                   1
_journal_name_full               CrystEngComm
_journal_page_first              216
_journal_paper_doi               10.1039/b910219a
_journal_volume                  12
_journal_year                    2010
_chemical_formula_moiety         'C46 H34 Er2 N4 O17, 3(H2 O)'
_chemical_formula_sum            'C46 H40 Er2 N4 O20'
_chemical_formula_weight         1303.34
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.41(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.266(4)
_cell_length_b                   16.039(3)
_cell_length_c                   15.551(3)
_cell_measurement_reflns_used    11209
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.97
_cell_measurement_theta_min      1.07
_cell_volume                     4726.3(17)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'APEX-II (Bruker, 2004)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL-XP (Bruker, 2004)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker Smart Apex II CCD area detector'
_diffrn_measurement_method       'φ and ω scan'
_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  0.0935
_diffrn_reflns_av_sigmaI/netI    0.0876
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            41762
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         1.07
_exptl_absorpt_coefficient_mu    3.612
_exptl_absorpt_correction_T_max  0.5912
_exptl_absorpt_correction_T_min  0.4125
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            pale-orange
_exptl_crystal_density_diffrn    1.832
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2560
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.724
_refine_diff_density_min         -1.174
_refine_diff_density_rms         0.198
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     649
_refine_ls_number_reflns         8506
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.1043
_refine_ls_R_factor_gt           0.0596
_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)+(0.1000P)²+0.0200P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1513
_refine_ls_wR_factor_ref         0.1786
_reflns_number_gt                5529
_reflns_number_total             8506
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b910219a.txt
_cod_data_source_block           er4
_cod_original_cell_volume        4726.3(16)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7211554
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.1105(6) 0.5894(7) 0.6317(8) 0.044(3) Uani 1 1 d .
H1 H 0.1456 0.5820 0.6807 0.052 Uiso 1 1 calc R
C2 C 0.0400(6) 0.6044(8) 0.6440(8) 0.046(3) Uani 1 1 d .
H2 H 0.0299 0.6073 0.7002 0.055 Uiso 1 1 calc R
C3 C -0.0114(6) 0.6144(7) 0.5753(8) 0.038(3) Uani 1 1 d .
H3 H -0.0575 0.6233 0.5835 0.046 Uiso 1 1 calc R
C4 C 0.0034(5) 0.6114(6) 0.4916(7) 0.030(2) Uani 1 1 d .
C5 C -0.0462(6) 0.6232(7) 0.4145(8) 0.042(3) Uani 1 1 d .
H5 H -0.0931 0.6331 0.4186 0.051 Uiso 1 1 calc R
C6 C -0.0284(6) 0.6208(8) 0.3364(7) 0.049(3) Uani 1 1 d .
H6 H -0.0627 0.6291 0.2868 0.059 Uiso 1 1 calc R
C7 C 0.0429(6) 0.6055(8) 0.3270(7) 0.046(3) Uani 1 1 d .
H7 H 0.0552 0.6040 0.2719 0.056 Uiso 1 1 calc R
C8 C 0.0921(5) 0.5933(6) 0.3996(7) 0.030(3) Uani 1 1 d .
C9 C 0.0751(5) 0.5970(6) 0.4838(7) 0.024(2) Uani 1 1 d .
C10 C 0.1824(5) 0.5725(7) 0.3139(7) 0.035(3) Uani 1 1 d .
H10A H 0.1760 0.6268 0.2861 0.042 Uiso 1 1 calc R
H10B H 0.1524 0.5330 0.2773 0.042 Uiso 1 1 calc R
C11 C 0.2582(5) 0.5461(6) 0.3224(6) 0.022(2) Uani 1 1 d .
C12 C 0.4249(6) 0.5977(7) 0.6550(8) 0.038(3) Uani 1 1 d .
H12 H 0.3978 0.6422 0.6685 0.045 Uiso 1 1 calc R
C13 C 0.4974(6) 0.6007(7) 0.6833(8) 0.047(3) Uani 1 1 d .
H13 H 0.5174 0.6454 0.7171 0.057 Uiso 1 1 calc R
C14 C 0.5400(6) 0.5378(7) 0.6615(8) 0.044(3) Uani 1 1 d .
H14 H 0.5887 0.5394 0.6798 0.053 Uiso 1 1 calc R
C15 C 0.5075(5) 0.4718(7) 0.6111(7) 0.031(3) Uani 1 1 d .
C16 C 0.5453(5) 0.4039(7) 0.5853(7) 0.036(3) Uani 1 1 d .
H16 H 0.5943 0.4037 0.5994 0.043 Uiso 1 1 calc R
C17 C 0.5122(5) 0.3398(8) 0.5409(8) 0.042(3) Uani 1 1 d .
H17 H 0.5384 0.2968 0.5225 0.050 Uiso 1 1 calc R
C18 C 0.4380(6) 0.3366(7) 0.5218(7) 0.038(3) Uani 1 1 d .
H18 H 0.4156 0.2903 0.4933 0.046 Uiso 1 1 calc R
C19 C 0.3988(5) 0.4006(6) 0.5445(6) 0.026(2) Uani 1 1 d .
C20 C 0.4320(5) 0.4717(6) 0.5897(6) 0.028(2) Uani 1 1 d .
C21 C 0.2889(5) 0.3338(6) 0.4840(8) 0.034(3) Uani 1 1 d .
H21A H 0.3026 0.2826 0.5158 0.041 Uiso 1 1 calc R
H21B H 0.3009 0.3289 0.4263 0.041 Uiso 1 1 calc R
C22 C 0.2096(6) 0.3472(8) 0.4758(7) 0.038(3) Uani 1 1 d .
C23 C 0.4165(6) 0.6532(7) 0.1976(8) 0.046(3) Uani 1 1 d .
H23 H 0.3881 0.6612 0.2393 0.056 Uiso 1 1 calc R
C24 C 0.4893(7) 0.6732(8) 0.2196(9) 0.058(4) Uani 1 1 d .
H24 H 0.5082 0.6932 0.2750 0.070 Uiso 1 1 calc R
C25 C 0.5293(7) 0.6635(8) 0.1613(10) 0.053(4) Uani 1 1 d .
H25 H 0.5770 0.6763 0.1766 0.064 Uiso 1 1 calc R
C26 C 0.5034(6) 0.6344(7) 0.0761(8) 0.039(3) Uani 1 1 d .
C27 C 0.5425(6) 0.6232(7) 0.0088(9) 0.046(3) Uani 1 1 d .
H27 H 0.5907 0.6342 0.0199 0.055 Uiso 1 1 calc R
C28 C 0.5121(6) 0.5973(7) -0.0707(9) 0.043(3) Uani 1 1 d .
H28 H 0.5387 0.5916 -0.1146 0.052 Uiso 1 1 calc R
C29 C 0.4389(6) 0.5784(7) -0.0881(9) 0.043(3) Uani 1 1 d .
H29 H 0.4176 0.5616 -0.1439 0.052 Uiso 1 1 calc R
C30 C 0.3998(5) 0.5846(6) -0.0247(7) 0.032(3) Uani 1 1 d .
C31 C 0.4301(5) 0.6146(6) 0.0599(7) 0.031(3) Uani 1 1 d .
C32 C 0.2957(6) 0.5357(7) -0.1181(7) 0.037(3) Uani 1 1 d .
H32A H 0.3223 0.4917 -0.1403 0.044 Uiso 1 1 calc R
H32B H 0.2927 0.5826 -0.1580 0.044 Uiso 1 1 calc R
C33 C 0.2218(5) 0.5045(6) -0.1132(7) 0.025(2) Uani 1 1 d .
C34 C 0.0845(5) 0.6457(7) 0.0871(7) 0.037(3) Uani 1 1 d .
H34 H 0.1091 0.6940 0.0787 0.045 Uiso 1 1 calc R
C35 C 0.0108(6) 0.6515(7) 0.0847(7) 0.042(3) Uani 1 1 d .
H35 H -0.0118 0.7029 0.0765 0.051 Uiso 1 1 calc R
C36 C -0.0261(6) 0.5820(7) 0.0943(7) 0.034(3) Uani 1 1 d .
H36 H -0.0747 0.5847 0.0910 0.041 Uiso 1 1 calc R
C37 C 0.0094(5) 0.5050(6) 0.1094(6) 0.026(2) Uani 1 1 d .
C38 C -0.0252(6) 0.4308(8) 0.1226(7) 0.038(3) Uani 1 1 d .
H38 H -0.0738 0.4311 0.1199 0.045 Uiso 1 1 calc R
C39 C 0.0112(5) 0.3581(8) 0.1394(7) 0.040(3) Uani 1 1 d .
H39 H -0.0125 0.3095 0.1492 0.048 Uiso 1 1 calc R
C40 C 0.0846(5) 0.3562(7) 0.1421(7) 0.033(3) Uani 1 1 d .
H40 H 0.1096 0.3066 0.1534 0.040 Uiso 1 1 calc R
C41 C 0.1186(5) 0.4277(6) 0.1279(6) 0.023(2) Uani 1 1 d .
C42 C 0.0824(4) 0.5047(6) 0.1118(6) 0.020(2) Uani 1 1 d .
C43 C 0.2311(5) 0.3585(7) 0.1454(8) 0.041(3) Uani 1 1 d .
H43A H 0.2113 0.3170 0.1025 0.050 Uiso 1 1 calc R
H43B H 0.2277 0.3373 0.2029 0.050 Uiso 1 1 calc R
C44 C 0.3085(5) 0.3731(7) 0.1400(7) 0.031(2) Uani 1 1 d .
C45 C 0.2574(5) 0.7719(7) 0.1257(6) 0.029(2) Uani 1 1 d .
C46 C 0.2559(6) 0.7608(7) 0.0240(7) 0.037(3) Uani 1 1 d .
Er1 Er 0.25542(3) 0.54039(3) 0.53821(3) 0.03444(18) Uani 1 1 d .
Er2 Er 0.25754(3) 0.56711(3) 0.09497(3) 0.03553(18) Uani 1 1 d .
N1 N 0.1274(4) 0.5857(5) 0.5561(5) 0.0270(19) Uani 1 1 d .
N2 N 0.3927(4) 0.5354(5) 0.6102(5) 0.0270(19) Uani 1 1 d .
N3 N 0.3879(5) 0.6239(5) 0.1210(6) 0.035(2) Uani 1 1 d .
N4 N 0.1197(4) 0.5755(5) 0.1008(5) 0.0233(18) Uani 1 1 d .
O1 O 0.1626(3) 0.5763(4) 0.3981(4) 0.0292(16) Uani 1 1 d .
O2 O 0.2909(3) 0.5247(4) 0.3968(4) 0.0280(16) Uani 1 1 d .
O3 O 0.2818(3) 0.5455(4) 0.2537(4) 0.0284(16) Uani 1 1 d .
O4 O 0.3258(3) 0.4031(4) 0.5295(4) 0.0257(15) Uani 1 1 d .
O5 O 0.1893(4) 0.4179(4) 0.4907(5) 0.0359(18) Uani 1 1 d .
O6 O 0.1728(4) 0.2849(5) 0.4558(7) 0.066(3) Uani 1 1 d .
O7 O 0.3316(4) 0.5609(4) -0.0323(5) 0.0328(17) Uani 1 1 d .
O8 O 0.2017(3) 0.5086(4) -0.0426(4) 0.0302(16) Uani 1 1 d .
O9 O 0.1866(4) 0.4796(5) -0.1838(5) 0.0374(18) Uani 1 1 d .
O10 O 0.1919(3) 0.4334(4) 0.1297(4) 0.0263(16) Uani 1 1 d .
O11 O 0.3239(3) 0.4424(4) 0.1128(5) 0.0317(17) Uani 1 1 d .
O12 O 0.3492(4) 0.3157(5) 0.1620(7) 0.061(3) Uani 1 1 d .
O13 O 0.2495(4) 0.7081(4) 0.1674(4) 0.0293(16) Uani 1 1 d .
O14 O 0.2379(4) 0.6869(4) -0.0049(5) 0.0403(19) Uani 1 1 d .
O15 O 0.2655(4) 0.8450(4) 0.1503(4) 0.0289(16) Uani 1 1 d .
O16 O 0.2727(4) 0.8204(4) -0.0174(4) 0.0365(18) Uani 1 1 d .
O2W O 0.1835(5) 0.1988(6) 0.3055(7) 0.070(3) Uani 1 1 d .
H4W H 0.1849 0.1492 0.3246 0.106 Uiso 1 1 d R
H3W H 0.1589 0.2282 0.3341 0.106 Uiso 1 1 d R
O3W O 0.3049(4) 0.3228(5) 0.7371(6) 0.053(2) Uani 1 1 d .
H5W H 0.2654 0.3093 0.7506 0.080 Uiso 1 1 d R
H6W H 0.3084 0.2985 0.6896 0.080 Uiso 1 1 d R
O4W O 0.1671(8) 0.7055(9) 0.8087(8) 0.136(6) Uani 1 1 d .
H7W H 0.1341 0.6987 0.8378 0.204 Uiso 1 1 d R
H8W H 0.2056 0.7036 0.8455 0.204 Uiso 1 1 d R
O1W O 0.2543(4) 0.4708(4) 0.6765(4) 0.0356(18) Uani 1 1 d .
H2W H 0.2270 0.4624 0.7130 0.053 Uiso 1 1 d R
H1W H 0.2684 0.4228 0.6648 0.053 Uiso 1 1 d R
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
N1 C1 C2 122.6(10) . .
N1 C1 H1 118.7 . .
C2 C1 H1 118.7 . .
C3 C2 C1 120.1(11) . .
C3 C2 H2 119.9 . .
C1 C2 H2 119.9 . .
C2 C3 C4 120.1(10) . .
C2 C3 H3 119.9 . .
C4 C3 H3 119.9 . .
C3 C4 C5 125.0(10) . .
C3 C4 C9 117.0(9) . .
C5 C4 C9 118.0(10) . .
C6 C5 C4 122.0(10) . .
C6 C5 H5 119.0 . .
C4 C5 H5 119.0 . .
C5 C6 C7 120.9(10) . .
C5 C6 H6 119.6 . .
C7 C6 H6 119.6 . .
C8 C7 C6 118.9(11) . .
C8 C7 H7 120.6 . .
C6 C7 H7 120.6 . .
C7 C8 O1 123.7(10) . .
C7 C8 C9 121.7(10) . .
O1 C8 C9 114.6(8) . .
N1 C9 C8 119.5(9) . .
N1 C9 C4 121.9(9) . .
C8 C9 C4 118.5(9) . .
O1 C10 C11 110.3(8) . .
O1 C10 H10A 109.6 . .
C11 C10 H10A 109.6 . .
O1 C10 H10B 109.6 . .
C11 C10 H10B 109.6 . .
H10A C10 H10B 108.1 . .
O3 C11 O2 126.2(9) . .
O3 C11 C10 115.5(9) . .
O2 C11 C10 118.3(9) . .
N2 C12 C13 123.3(10) . .
N2 C12 H12 118.4 . .
C13 C12 H12 118.4 . .
C14 C13 C12 120.4(10) . .
C14 C13 H13 119.8 . .
C12 C13 H13 119.8 . .
C13 C14 C15 117.7(10) . .
C13 C14 H14 121.1 . .
C15 C14 H14 121.1 . .
C14 C15 C16 122.9(10) . .
C14 C15 C20 117.7(10) . .
C16 C15 C20 119.3(10) . .
C17 C16 C15 121.3(10) . .
C17 C16 H16 119.4 . .
C15 C16 H16 119.4 . .
C16 C17 C18 120.7(11) . .
C16 C17 H17 119.7 . .
C18 C17 H17 119.7 . .
C19 C18 C17 120.5(10) . .
C19 C18 H18 119.7 . .
C17 C18 H18 119.7 . .
C18 C19 O4 125.0(9) . .
C18 C19 C20 120.7(9) . .
O4 C19 C20 114.2(8) . .
N2 C20 C19 120.1(9) . .
N2 C20 C15 122.5(9) . .
C19 C20 C15 117.4(9) . .
O4 C21 C22 109.4(8) . .
O4 C21 H21A 109.8 . .
C22 C21 H21A 109.8 . .
O4 C21 H21B 109.8 . .
C22 C21 H21B 109.8 . .
H21A C21 H21B 108.2 . .
O6 C22 O5 127.2(10) . .
O6 C22 C21 115.5(10) . .
O5 C22 C21 117.4(9) . .
N3 C23 C24 122.5(13) . .
N3 C23 H23 118.7 . .
C24 C23 H23 118.7 . .
C25 C24 C23 119.3(13) . .
C25 C24 H24 120.4 . .
C23 C24 H24 120.4 . .
C24 C25 C26 122.9(12) . .
C24 C25 H25 118.6 . .
C26 C25 H25 118.6 . .
C27 C26 C25 126.6(12) . .
C27 C26 C31 119.2(11) . .
C25 C26 C31 114.2(11) . .
C28 C27 C26 121.5(11) . .
C28 C27 H27 119.2 . .
C26 C27 H27 119.2 . .
C27 C28 C29 119.9(12) . .
C27 C28 H28 120.1 . .
C29 C28 H28 120.1 . .
C30 C29 C28 120.8(12) . .
C30 C29 H29 119.6 . .
C28 C29 H29 119.6 . .
C29 C30 O7 125.3(11) . .
C29 C30 C31 120.7(10) . .
O7 C30 C31 114.0(9) . .
N3 C31 C30 118.9(9) . .
N3 C31 C26 123.3(10) . .
C30 C31 C26 117.9(10) . .
O7 C32 C33 109.9(8) . .
O7 C32 H32A 109.7 . .
C33 C32 H32A 109.7 . .
O7 C32 H32B 109.7 . .
C33 C32 H32B 109.7 . .
H32A C32 H32B 108.2 . .
O8 C33 O9 126.4(10) . .
O8 C33 C32 118.4(9) . .
O9 C33 C32 115.2(9) . .
N4 C34 C35 123.2(10) . .
N4 C34 H34 118.4 . .
C35 C34 H34 118.4 . .
C36 C35 C34 119.3(10) . .
C36 C35 H35 120.3 . .
C34 C35 H35 120.3 . .
C35 C36 C37 119.6(10) . .
C35 C36 H36 120.2 . .
C37 C36 H36 120.2 . .
C38 C37 C42 119.8(9) . .
C38 C37 C36 122.7(9) . .
C42 C37 C36 117.5(9) . .
C39 C38 C37 121.0(10) . .
C39 C38 H38 119.5 . .
C37 C38 H38 119.5 . .
C38 C39 C40 120.3(11) . .
C38 C39 H39 119.9 . .
C40 C39 H39 119.9 . .
C41 C40 C39 119.2(10) . .
C41 C40 H40 120.4 . .
C39 C40 H40 120.4 . .
C40 C41 O10 124.1(9) . .
C40 C41 C42 121.9(9) . .
O10 C41 C42 114.0(8) . .
N4 C42 C37 122.8(9) . .
N4 C42 C41 119.4(8) . .
C37 C42 C41 117.9(9) . .
O10 C43 C44 110.9(8) . .
O10 C43 H43A 109.5 . .
C44 C43 H43A 109.5 . .
O10 C43 H43B 109.5 . .
C44 C43 H43B 109.5 . .
H43A C43 H43B 108.1 . .
O12 C44 O11 126.2(10) . .
O12 C44 C43 117.0(10) . .
O11 C44 C43 116.8(9) . .
O15 C45 O13 130.1(9) . .
O15 C45 C46 113.2(9) . .
O13 C45 C46 116.7(10) . .
O16 C46 O14 127.7(10) . .
O16 C46 C45 118.4(10) . .
O14 C46 C45 113.9(10) . .
O5 Er1 O1W 78.8(3) . .
O5 Er1 O2 81.7(2) . .
O1W Er1 O2 143.4(2) . .
O5 Er1 O16 138.1(3) . 4_576
O1W Er1 O16 139.4(2) . 4_576
O2 Er1 O16 72.3(2) . 4_576
O5 Er1 O15 141.9(2) . 4_576
O1W Er1 O15 74.6(2) . 4_576
O2 Er1 O15 134.7(2) . 4_576
O16 Er1 O15 65.1(2) 4_576 4_576
O5 Er1 O4 62.7(2) . .
O1W Er1 O4 75.2(2) . .
O2 Er1 O4 68.4(2) . .
O16 Er1 O4 130.6(2) 4_576 .
O15 Er1 O4 132.7(2) 4_576 .
O5 Er1 O1 71.2(2) . .
O1W Er1 O1 136.4(2) . .
O2 Er1 O1 62.1(2) . .
O16 Er1 O1 67.7(2) 4_576 .
O15 Er1 O1 111.8(2) 4_576 .
O4 Er1 O1 115.3(2) . .
O5 Er1 N1 78.6(3) . .
O1W Er1 N1 82.8(2) . .
O2 Er1 N1 123.1(2) . .
O16 Er1 N1 88.6(3) 4_576 .
O15 Er1 N1 71.5(2) 4_576 .
O4 Er1 N1 138.2(2) . .
O1 Er1 N1 61.0(2) . .
O5 Er1 N2 122.4(2) . .
O1W Er1 N2 77.4(2) . .
O2 Er1 N2 87.6(2) . .
O16 Er1 N2 89.3(3) 4_576 .
O15 Er1 N2 77.6(2) 4_576 .
O4 Er1 N2 60.8(2) . .
O1 Er1 N2 145.9(2) . .
N1 Er1 N2 146.7(3) . .
O11 Er2 O8 85.4(2) . .
O11 Er2 O3 76.2(2) . .
O8 Er2 O3 144.4(2) . .
O11 Er2 O14 139.0(3) . .
O8 Er2 O14 75.5(2) . .
O3 Er2 O14 136.6(2) . .
O11 Er2 O13 140.8(2) . .
O8 Er2 O13 133.5(2) . .
O3 Er2 O13 72.3(2) . .
O14 Er2 O13 64.5(2) . .
O11 Er2 O10 63.3(2) . .
O8 Er2 O10 72.9(2) . .
O3 Er2 O10 71.7(2) . .
O14 Er2 O10 138.8(2) . .
O13 Er2 O10 124.9(2) . .
O11 Er2 N3 78.1(2) . .
O8 Er2 N3 122.2(3) . .
O3 Er2 N3 83.7(2) . .
O14 Er2 N3 82.0(3) . .
O13 Er2 N3 75.9(3) . .
O10 Er2 N3 137.8(2) . .
O11 Er2 O7 72.7(2) . .
O8 Er2 O7 62.3(2) . .
O3 Er2 O7 135.9(2) . .
O14 Er2 O7 66.3(2) . .
O13 Er2 O7 116.7(2) . .
O10 Er2 O7 118.3(2) . .
N3 Er2 O7 59.9(2) . .
O11 Er2 N4 123.9(2) . .
O8 Er2 N4 76.3(2) . .
O3 Er2 N4 89.0(2) . .
O14 Er2 N4 86.7(3) . .
O13 Er2 N4 78.5(2) . .
O10 Er2 N4 60.7(2) . .
N3 Er2 N4 154.4(3) . .
O7 Er2 N4 134.5(2) . .
C1 N1 C9 118.2(9) . .
C1 N1 Er1 120.7(7) . .
C9 N1 Er1 120.7(6) . .
C12 N2 C20 118.2(9) . .
C12 N2 Er1 122.4(7) . .
C20 N2 Er1 118.7(6) . .
C23 N3 C31 117.9(10) . .
C23 N3 Er2 119.9(8) . .
C31 N3 Er2 121.8(7) . .
C34 N4 C42 117.6(8) . .
C34 N4 Er2 121.6(7) . .
C42 N4 Er2 120.6(6) . .
C8 O1 C10 116.6(7) . .
C8 O1 Er1 123.5(6) . .
C10 O1 Er1 119.8(5) . .
C11 O2 Er1 128.8(6) . .
C11 O3 Er2 146.8(6) . .
C19 O4 C21 117.3(7) . .
C19 O4 Er1 122.7(5) . .
C21 O4 Er1 117.6(5) . .
C22 O5 Er1 130.2(7) . .
C30 O7 C32 117.0(8) . .
C30 O7 Er2 124.9(6) . .
C32 O7 Er2 118.0(6) . .
C33 O8 Er2 130.7(6) . .
C41 O10 C43 116.7(7) . .
C41 O10 Er2 124.9(5) . .
C43 O10 Er2 118.2(6) . .
C44 O11 Er2 129.7(6) . .
C45 O13 Er2 118.7(6) . .
C46 O14 Er2 119.8(6) . .
C45 O15 Er1 119.3(6) . 4_575
C46 O16 Er1 117.5(7) . 4_575
H4W O2W H3W 108.9 . .
H5W O3W H6W 108.3 . .
H7W O4W H8W 106.3 . .
Er1 O1W H2W 140.3 . .
Er1 O1W H1W 100.0 . .
H2W O1W H1W 105.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.276(14) .
C1 C2 1.427(16) .
C1 H1 0.9300 .
C2 C3 1.328(16) .
C2 H2 0.9300 .
C3 C4 1.383(16) .
C3 H3 0.9300 .
C4 C5 1.404(15) .
C4 C9 1.426(14) .
C5 C6 1.322(16) .
C5 H5 0.9300 .
C6 C7 1.428(16) .
C6 H6 0.9300 .
C7 C8 1.351(14) .
C7 H7 0.9300 .
C8 O1 1.389(11) .
C8 C9 1.408(15) .
C9 N1 1.380(12) .
C10 O1 1.430(12) .
C10 C11 1.503(13) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 O3 1.235(11) .
C11 O2 1.260(11) .
C12 N2 1.309(12) .
C12 C13 1.387(15) .
C12 H12 0.9300 .
C13 C14 1.381(17) .
C13 H13 0.9300 .
C14 C15 1.397(15) .
C14 H14 0.9300 .
C15 C16 1.408(15) .
C15 C20 1.432(14) .
C16 C17 1.334(16) .
C16 H16 0.9300 .
C17 C18 1.408(15) .
C17 H17 0.9300 .
C18 C19 1.357(14) .
C18 H18 0.9300 .
C19 O4 1.384(11) .
C19 C20 1.429(14) .
C20 N2 1.344(13) .
C21 O4 1.436(11) .
C21 C22 1.524(15) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 O6 1.232(13) .
C22 O5 1.235(13) .
C23 N3 1.306(14) .
C23 C24 1.418(17) .
C23 H23 0.9300 .
C24 C25 1.300(19) .
C24 H24 0.9300 .
C25 C26 1.409(18) .
C25 H25 0.9300 .
C26 C27 1.407(17) .
C26 C31 1.425(14) .
C27 C28 1.336(18) .
C27 H27 0.9300 .
C28 C29 1.419(16) .
C28 H28 0.9300 .
C29 C30 1.348(16) .
C29 H29 0.9300 .
C30 O7 1.352(12) .
C30 C31 1.423(15) .
C31 N3 1.366(14) .
C32 O7 1.445(12) .
C32 C33 1.524(14) .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C33 O8 1.231(12) .
C33 O9 1.247(12) .
C34 N4 1.313(13) .
C34 C35 1.416(15) .
C34 H34 0.9300 .
C35 C36 1.345(16) .
C35 H35 0.9300 .
C36 C37 1.412(15) .
C36 H36 0.9300 .
C37 C38 1.397(15) .
C37 C42 1.399(12) .
C38 C39 1.361(16) .
C38 H38 0.9300 .
C39 C40 1.408(14) .
C39 H39 0.9300 .
C40 C41 1.358(14) .
C40 H40 0.9300 .
C41 O10 1.411(11) .
C41 C42 1.418(13) .
C42 N4 1.371(12) .
C43 O10 1.416(12) .
C43 C44 1.528(14) .
C43 H43A 0.9700 .
C43 H43B 0.9700 .
C44 O12 1.217(12) .
C44 O11 1.245(12) .
C45 O15 1.235(12) .
C45 O13 1.235(12) .
C45 C46 1.586(14) .
C46 O16 1.229(13) .
C46 O14 1.292(13) .
Er1 O5 2.385(7) .
Er1 O1W 2.426(7) .
Er1 O2 2.431(7) .
Er1 O16 2.438(7) 4_576
Er1 O15 2.516(7) 4_576
Er1 O4 2.602(6) .
Er1 O1 2.622(6) .
Er1 N1 2.633(8) .
Er1 N2 2.680(8) .
Er2 O11 2.363(7) .
Er2 O8 2.405(7) .
Er2 O3 2.453(7) .
Er2 O14 2.456(7) .
Er2 O13 2.544(7) .
Er2 O10 2.596(6) .
Er2 N3 2.633(9) .
Er2 O7 2.643(7) .
Er2 N4 2.677(8) .
O15 Er1 2.516(7) 4_575
O16 Er1 2.438(7) 4_575
O2W H4W 0.8487 .
O2W H3W 0.8491 .
O3W H5W 0.8516 .
O3W H6W 0.8488 .
O4W H7W 0.8519 .
O4W H8W 0.8518 .
O1W H2W 0.8510 .
O1W H1W 0.8472 .
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
N1 C1 C2 C3 1(2) . .
C1 C2 C3 C4 -1.0(19) . .
C2 C3 C4 C5 -178.2(12) . .
C2 C3 C4 C9 0.4(16) . .
C3 C4 C5 C6 179.0(12) . .
C9 C4 C5 C6 0.5(17) . .
C4 C5 C6 C7 0(2) . .
C5 C6 C7 C8 0(2) . .
C6 C7 C8 O1 178.7(10) . .
C6 C7 C8 C9 -1.4(18) . .
C7 C8 C9 N1 -178.7(10) . .
O1 C8 C9 N1 1.2(13) . .
C7 C8 C9 C4 2.0(15) . .
O1 C8 C9 C4 -178.0(8) . .
C3 C4 C9 N1 0.6(14) . .
C5 C4 C9 N1 179.3(10) . .
C3 C4 C9 C8 179.8(9) . .
C5 C4 C9 C8 -1.5(14) . .
O1 C10 C11 O3 -176.0(8) . .
O1 C10 C11 O2 6.0(13) . .
N2 C12 C13 C14 2.8(19) . .
C12 C13 C14 C15 -0.4(18) . .
C13 C14 C15 C16 -179.6(11) . .
C13 C14 C15 C20 -3.3(16) . .
C14 C15 C16 C17 176.5(11) . .
C20 C15 C16 C17 0.3(16) . .
C15 C16 C17 C18 -2.7(18) . .
C16 C17 C18 C19 3.1(18) . .
C17 C18 C19 O4 -179.3(10) . .
C17 C18 C19 C20 -1.1(17) . .
C18 C19 C20 N2 178.7(10) . .
O4 C19 C20 N2 -2.9(13) . .
C18 C19 C20 C15 -1.2(15) . .
O4 C19 C20 C15 177.2(8) . .
C14 C15 C20 N2 5.3(15) . .
C16 C15 C20 N2 -178.2(9) . .
C14 C15 C20 C19 -174.8(9) . .
C16 C15 C20 C19 1.7(14) . .
O4 C21 C22 O6 -164.6(10) . .
O4 C21 C22 O5 14.6(14) . .
N3 C23 C24 C25 1.0(19) . .
C23 C24 C25 C26 1(2) . .
C24 C25 C26 C27 178.9(12) . .
C24 C25 C26 C31 -1.5(17) . .
C25 C26 C27 C28 -178.1(11) . .
C31 C26 C27 C28 2.3(17) . .
C26 C27 C28 C29 -1.5(18) . .
C27 C28 C29 C30 -1.5(17) . .
C28 C29 C30 O7 -173.6(10) . .
C28 C29 C30 C31 3.4(16) . .
C29 C30 C31 N3 176.7(10) . .
O7 C30 C31 N3 -5.9(13) . .
C29 C30 C31 C26 -2.5(15) . .
O7 C30 C31 C26 174.8(8) . .
C27 C26 C31 N3 -179.5(10) . .
C25 C26 C31 N3 0.9(14) . .
C27 C26 C31 C30 -0.3(14) . .
C25 C26 C31 C30 -180.0(10) . .
O7 C32 C33 O8 3.6(13) . .
O7 C32 C33 O9 -178.7(8) . .
N4 C34 C35 C36 -1.9(17) . .
C34 C35 C36 C37 2.0(16) . .
C35 C36 C37 C38 178.0(10) . .
C35 C36 C37 C42 -1.3(14) . .
C42 C37 C38 C39 1.2(16) . .
C36 C37 C38 C39 -178.1(10) . .
C37 C38 C39 C40 -1.3(17) . .
C38 C39 C40 C41 0.2(16) . .
C39 C40 C41 O10 179.4(9) . .
C39 C40 C41 C42 1.0(15) . .
C38 C37 C42 N4 -178.9(9) . .
C36 C37 C42 N4 0.5(13) . .
C38 C37 C42 C41 0.0(13) . .
C36 C37 C42 C41 179.3(9) . .
C40 C41 C42 N4 177.8(9) . .
O10 C41 C42 N4 -0.7(12) . .
C40 C41 C42 C37 -1.1(14) . .
O10 C41 C42 C37 -179.6(8) . .
O10 C43 C44 O12 171.8(10) . .
O10 C43 C44 O11 -8.6(15) . .
O15 C45 C46 O16 10.4(14) . .
O13 C45 C46 O16 -170.6(9) . .
O15 C45 C46 O14 -171.0(9) . .
O13 C45 C46 O14 8.0(13) . .
C2 C1 N1 C9 0.2(17) . .
C2 C1 N1 Er1 -172.8(9) . .
C8 C9 N1 C1 180.0(10) . .
C4 C9 N1 C1 -0.8(15) . .
C8 C9 N1 Er1 -7.0(12) . .
C4 C9 N1 Er1 172.2(7) . .
O5 Er1 N1 C1 104.7(9) . .
O1W Er1 N1 C1 24.7(9) . .
O2 Er1 N1 C1 176.9(8) . .
O16 Er1 N1 C1 -115.5(9) 4_576 .
O15 Er1 N1 C1 -51.4(9) 4_576 .
O4 Er1 N1 C1 82.9(9) . .
O1 Er1 N1 C1 179.4(9) . .
N2 Er1 N1 C1 -28.9(11) . .
O5 Er1 N1 C9 -68.1(7) . .
O1W Er1 N1 C9 -148.1(7) . .
O2 Er1 N1 C9 4.0(8) . .
O16 Er1 N1 C9 71.7(7) 4_576 .
O15 Er1 N1 C9 135.8(7) 4_576 .
O4 Er1 N1 C9 -89.9(7) . .
O1 Er1 N1 C9 6.5(6) . .
N2 Er1 N1 C9 158.3(6) . .
C13 C12 N2 C20 -1.0(17) . .
C13 C12 N2 Er1 -171.6(9) . .
C19 C20 N2 C12 177.0(10) . .
C15 C20 N2 C12 -3.1(14) . .
C19 C20 N2 Er1 -12.1(12) . .
C15 C20 N2 Er1 167.8(7) . .
O5 Er1 N2 C12 -163.2(8) . .
O1W Er1 N2 C12 -95.3(9) . .
O2 Er1 N2 C12 118.2(9) . .
O16 Er1 N2 C12 45.9(9) 4_576 .
O15 Er1 N2 C12 -18.6(8) 4_576 .
O4 Er1 N2 C12 -175.3(9) . .
O1 Er1 N2 C12 92.0(9) . .
N1 Er1 N2 C12 -40.4(10) . .
O5 Er1 N2 C20 26.3(8) . .
O1W Er1 N2 C20 94.2(7) . .
O2 Er1 N2 C20 -52.3(7) . .
O16 Er1 N2 C20 -124.5(7) 4_576 .
O15 Er1 N2 C20 170.9(7) 4_576 .
O4 Er1 N2 C20 14.2(6) . .
O1 Er1 N2 C20 -78.5(8) . .
N1 Er1 N2 C20 149.1(6) . .
C24 C23 N3 C31 -1.6(16) . .
C24 C23 N3 Er2 170.5(8) . .
C30 C31 N3 C23 -178.5(10) . .
C26 C31 N3 C23 0.6(15) . .
C30 C31 N3 Er2 9.5(12) . .
C26 C31 N3 Er2 -171.4(7) . .
O11 Er2 N3 C23 -101.5(8) . .
O8 Er2 N3 C23 -178.2(8) . .
O3 Er2 N3 C23 -24.4(8) . .
O14 Er2 N3 C23 114.5(8) . .
O13 Er2 N3 C23 48.9(8) . .
O10 Er2 N3 C23 -78.1(9) . .
O7 Er2 N3 C23 -178.2(9) . .
N4 Er2 N3 C23 50.1(11) . .
O11 Er2 N3 C31 70.3(7) . .
O8 Er2 N3 C31 -6.4(8) . .
O3 Er2 N3 C31 147.5(7) . .
O14 Er2 N3 C31 -73.6(7) . .
O13 Er2 N3 C31 -139.3(7) . .
O10 Er2 N3 C31 93.8(8) . .
O7 Er2 N3 C31 -6.4(7) . .
N4 Er2 N3 C31 -138.1(7) . .
C35 C34 N4 C42 1.0(15) . .
C35 C34 N4 Er2 176.2(8) . .
C37 C42 N4 C34 -0.3(13) . .
C41 C42 N4 C34 -179.2(9) . .
C37 C42 N4 Er2 -175.6(6) . .
C41 C42 N4 Er2 5.6(11) . .
O11 Er2 N4 C34 -177.3(7) . .
O8 Er2 N4 C34 -102.6(8) . .
O3 Er2 N4 C34 110.1(8) . .
O14 Er2 N4 C34 -26.7(8) . .
O13 Er2 N4 C34 38.0(8) . .
O10 Er2 N4 C34 179.5(8) . .
N3 Er2 N4 C34 36.8(11) . .
O7 Er2 N4 C34 -78.3(8) . .
O11 Er2 N4 C42 -2.3(7) . .
O8 Er2 N4 C42 72.4(6) . .
O3 Er2 N4 C42 -74.9(6) . .
O14 Er2 N4 C42 148.3(7) . .
O13 Er2 N4 C42 -147.0(7) . .
O10 Er2 N4 C42 -5.4(6) . .
N3 Er2 N4 C42 -148.1(6) . .
O7 Er2 N4 C42 96.8(7) . .
C7 C8 O1 C10 0.3(15) . .
C9 C8 O1 C10 -179.6(9) . .
C7 C8 O1 Er1 -174.7(9) . .
C9 C8 O1 Er1 5.3(11) . .
C11 C10 O1 C8 -174.9(8) . .
C11 C10 O1 Er1 0.4(11) . .
O5 Er1 O1 C8 80.9(7) . .
O1W Er1 O1 C8 31.8(8) . .
O2 Er1 O1 C8 171.4(7) . .
O16 Er1 O1 C8 -107.5(7) 4_576 .
O15 Er1 O1 C8 -58.4(7) 4_576 .
O4 Er1 O1 C8 126.7(7) . .
N1 Er1 O1 C8 -6.2(7) . .
N2 Er1 O1 C8 -158.6(6) . .
O5 Er1 O1 C10 -93.9(7) . .
O1W Er1 O1 C10 -143.1(7) . .
O2 Er1 O1 C10 -3.5(7) . .
O16 Er1 O1 C10 77.6(7) 4_576 .
O15 Er1 O1 C10 126.7(7) 4_576 .
O4 Er1 O1 C10 -48.1(7) . .
N1 Er1 O1 C10 178.9(8) . .
N2 Er1 O1 C10 26.5(9) . .
O3 C11 O2 Er1 171.2(7) . .
C10 C11 O2 Er1 -11.0(12) . .
O5 Er1 O2 C11 81.0(8) . .
O1W Er1 O2 C11 139.3(7) . .
O16 Er1 O2 C11 -65.7(8) 4_576 .
O15 Er1 O2 C11 -85.9(8) 4_576 .
O4 Er1 O2 C11 144.8(8) . .
O1 Er1 O2 C11 8.0(7) . .
N1 Er1 O2 C11 10.5(8) . .
N2 Er1 O2 C11 -155.8(8) . .
O2 C11 O3 Er2 175.7(7) . .
C10 C11 O3 Er2 -2.2(16) . .
O11 Er2 O3 C11 -135.8(11) . .
O8 Er2 O3 C11 -74.9(12) . .
O14 Er2 O3 C11 73.7(12) . .
O13 Er2 O3 C11 67.8(11) . .
O10 Er2 O3 C11 -69.8(11) . .
N3 Er2 O3 C11 145.0(11) . .
O7 Er2 O3 C11 178.1(10) . .
N4 Er2 O3 C11 -10.4(11) . .
C18 C19 O4 C21 -2.0(15) . .
C20 C19 O4 C21 179.7(9) . .
C18 C19 O4 Er1 -163.9(8) . .
C20 C19 O4 Er1 17.7(11) . .
C22 C21 O4 C19 178.7(9) . .
C22 C21 O4 Er1 -18.5(11) . .
O5 Er1 O4 C19 174.8(7) . .
O1W Er1 O4 C19 -100.3(7) . .
O2 Er1 O4 C19 83.0(7) . .
O16 Er1 O4 C19 43.5(7) 4_576 .
O15 Er1 O4 C19 -48.5(8) 4_576 .
O1 Er1 O4 C19 125.0(6) . .
N1 Er1 O4 C19 -161.0(6) . .
N2 Er1 O4 C19 -16.7(6) . .
O5 Er1 O4 C21 12.9(7) . .
O1W Er1 O4 C21 97.8(7) . .
O2 Er1 O4 C21 -78.9(7) . .
O16 Er1 O4 C21 -118.4(7) 4_576 .
O15 Er1 O4 C21 149.6(6) 4_576 .
O1 Er1 O4 C21 -36.9(7) . .
N1 Er1 O4 C21 37.1(8) . .
N2 Er1 O4 C21 -178.6(7) . .
O6 C22 O5 Er1 175.8(9) . .
C21 C22 O5 Er1 -3.4(16) . .
O1W Er1 O5 C22 -84.0(10) . .
O2 Er1 O5 C22 64.9(10) . .
O16 Er1 O5 C22 116.3(10) 4_576 .
O15 Er1 O5 C22 -130.3(9) 4_576 .
O4 Er1 O5 C22 -5.0(9) . .
O1 Er1 O5 C22 128.1(10) . .
N1 Er1 O5 C22 -168.8(10) . .
N2 Er1 O5 C22 -16.9(11) . .
C29 C30 O7 C32 -7.3(15) . .
C31 C30 O7 C32 175.5(9) . .
C29 C30 O7 Er2 177.0(8) . .
C31 C30 O7 Er2 -0.2(12) . .
C33 C32 O7 C30 175.4(8) . .
C33 C32 O7 Er2 -8.6(11) . .
O11 Er2 O7 C30 -82.7(7) . .
O8 Er2 O7 C30 -176.7(8) . .
O3 Er2 O7 C30 -35.6(8) . .
O14 Er2 O7 C30 97.8(7) . .
O13 Er2 O7 C30 56.0(8) . .
O10 Er2 O7 C30 -128.0(7) . .
N3 Er2 O7 C30 3.3(7) . .
N4 Er2 O7 C30 156.4(7) . .
O11 Er2 O7 C32 101.6(7) . .
O8 Er2 O7 C32 7.6(6) . .
O3 Er2 O7 C32 148.7(6) . .
O14 Er2 O7 C32 -77.9(7) . .
O13 Er2 O7 C32 -119.6(7) . .
O10 Er2 O7 C32 56.3(7) . .
N3 Er2 O7 C32 -172.4(7) . .
N4 Er2 O7 C32 -19.2(8) . .
O9 C33 O8 Er2 -173.0(7) . .
C32 C33 O8 Er2 4.4(13) . .
O11 Er2 O8 C33 -79.4(8) . .
O3 Er2 O8 C33 -137.8(8) . .
O14 Er2 O8 C33 63.9(8) . .
O13 Er2 O8 C33 95.0(8) . .
O10 Er2 O8 C33 -142.8(8) . .
N3 Er2 O8 C33 -6.6(9) . .
O7 Er2 O8 C33 -6.6(8) . .
N4 Er2 O8 C33 154.0(9) . .
C40 C41 O10 C43 1.6(14) . .
C42 C41 O10 C43 -179.9(9) . .
C40 C41 O10 Er2 176.6(8) . .
C42 C41 O10 Er2 -4.9(10) . .
C44 C43 O10 C41 176.5(8) . .
C44 C43 O10 Er2 1.1(12) . .
O11 Er2 O10 C41 -171.7(7) . .
O8 Er2 O10 C41 -78.2(7) . .
O3 Er2 O10 C41 104.9(7) . .
O14 Er2 O10 C41 -36.7(8) . .
O13 Er2 O10 C41 53.3(7) . .
N3 Er2 O10 C41 162.4(6) . .
O7 Er2 O10 C41 -122.3(6) . .
N4 Er2 O10 C41 5.4(6) . .
O11 Er2 O10 C43 3.3(7) . .
O8 Er2 O10 C43 96.8(8) . .
O3 Er2 O10 C43 -80.1(8) . .
O14 Er2 O10 C43 138.3(7) . .
O13 Er2 O10 C43 -131.7(7) . .
N3 Er2 O10 C43 -22.6(9) . .
O7 Er2 O10 C43 52.7(8) . .
N4 Er2 O10 C43 -179.7(8) . .
O12 C44 O11 Er2 -166.2(9) . .
C43 C44 O11 Er2 14.3(14) . .
O8 Er2 O11 C44 -83.1(9) . .
O3 Er2 O11 C44 66.2(9) . .
O14 Er2 O11 C44 -144.8(8) . .
O13 Er2 O11 C44 103.3(9) . .
O10 Er2 O11 C44 -9.9(8) . .
N3 Er2 O11 C44 152.6(9) . .
O7 Er2 O11 C44 -145.4(9) . .
N4 Er2 O11 C44 -13.0(10) . .
O15 C45 O13 Er2 -168.7(9) . .
C46 C45 O13 Er2 12.4(11) . .
O11 Er2 O13 C45 119.7(7) . .
O8 Er2 O13 C45 -51.4(8) . .
O3 Er2 O13 C45 157.7(7) . .
O14 Er2 O13 C45 -17.9(7) . .
O10 Er2 O13 C45 -151.0(6) . .
N3 Er2 O13 C45 69.8(7) . .
O7 Er2 O13 C45 24.6(7) . .
N4 Er2 O13 C45 -109.6(7) . .
O16 C46 O14 Er2 152.9(9) . .
C45 C46 O14 Er2 -25.5(11) . .
O11 Er2 O14 C46 -116.6(8) . .
O8 Er2 O14 C46 178.5(8) . .
O3 Er2 O14 C46 16.7(10) . .
O13 Er2 O14 C46 22.9(7) . .
O10 Er2 O14 C46 137.6(7) . .
N3 Er2 O14 C46 -55.2(8) . .
O7 Er2 O14 C46 -115.8(8) . .
N4 Er2 O14 C46 101.8(8) . .
O13 C45 O15 Er1 -167.8(8) . 4_575
C46 C45 O15 Er1 11.1(11) . 4_575
O14 C46 O16 Er1 154.8(9) . 4_575
C45 C46 O16 Er1 -26.8(12) . 4_575
