# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_audit_block_doi                 10.5517/cc1jq99v
_database_code_depnum_ccdc_archive 'CCDC 1421607'
_audit_update_record             
;
2015-09-01 deposited with the CCDC.
2016-02-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C37 H34 Dy N O8'
_chemical_formula_weight         783.15

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'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_H-M_alt        'P 2/c'
_space_group_name_Hall           '-P 2yc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'

_cell_length_a                   10.7467(5)
_cell_length_b                   15.8854(7)
_cell_length_c                   19.3945(10)
_cell_angle_alpha                90
_cell_angle_beta                 91.363(2)
_cell_angle_gamma                90
_cell_volume                     3310.0(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.572
_exptl_crystal_F_000             1572
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.235
_exptl_crystal_size_mid          0.214
_exptl_crystal_size_min          0.168
_exptl_absorpt_coefficient_mu    2.311
_shelx_estimated_absorpt_T_min   0.613
_shelx_estimated_absorpt_T_max   0.697
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   'CrysAlis PRO (Agilent, 2014)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_measurement_device_type  
'Agilent Technologies SuperNova Dual diffractometer with Atlas detector'
_diffrn_measurement_method       'ω scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            23078
_diffrn_reflns_av_unetI/netI     0.0865
_diffrn_reflns_av_R_equivalents  0.0880
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         3.077
_diffrn_reflns_theta_max         26.373
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             6615
_reflns_number_gt                4398
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0645P)²+7.0134P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6615
_refine_ls_number_parameters     446
_refine_ls_number_restraints     24
_refine_ls_R_factor_all          0.1015
_refine_ls_R_factor_gt           0.0525
_refine_ls_wR_factor_ref         0.1329
_refine_ls_wR_factor_gt          0.1124
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_restrained_S_all      1.014
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.41893(3) 0.58142(2) 0.85160(2) 0.02229(12) Uani 1 1 d . . . . .
C1 C 0.3597(6) 0.4593(5) 0.7060(4) 0.0278(18) Uani 1 1 d . . . . .
C2 C 0.2876(7) 0.3793(4) 0.6895(4) 0.0265(17) Uani 1 1 d . . . . .
C3 C 0.2408(7) 0.3288(5) 0.7410(4) 0.0319(18) Uani 1 1 d . . . . .
H3A H 0.2537 0.3442 0.7880 0.038 Uiso 1 1 calc R U . . .
C4 C 0.1756(7) 0.2561(5) 0.7249(4) 0.0315(17) Uani 1 1 d . . . . .
H4A H 0.1472 0.2209 0.7608 0.038 Uiso 1 1 calc R U . . .
C5 C 0.1511(6) 0.2341(4) 0.6564(4) 0.0234(16) Uani 1 1 d . . . . .
C6 C 0.1972(7) 0.2852(4) 0.6060(4) 0.0301(18) Uani 1 1 d . . . . .
H6A H 0.1812 0.2710 0.5590 0.036 Uiso 1 1 calc R U . . .
C7 C 0.2658(7) 0.3564(5) 0.6211(4) 0.0304(18) Uani 1 1 d . . . . .
H7A H 0.2979 0.3898 0.5850 0.037 Uiso 1 1 calc R U . . .
C8 C 0.0808(7) 0.1550(4) 0.6388(3) 0.0240(16) Uani 1 1 d . . . . .
C9 C -0.0322(6) 0.1573(5) 0.6014(4) 0.0256(17) Uani 1 1 d . . . . .
C10 C -0.0894(6) 0.0816(5) 0.5849(4) 0.0260(15) Uani 1 1 d . . . . .
H10A H -0.1674 0.0830 0.5609 0.031 Uiso 1 1 calc R U . . .
C11 C -0.0379(7) 0.0032(4) 0.6018(4) 0.0246(16) Uani 1 1 d . . . . .
C12 C 0.0740(7) 0.0021(4) 0.6393(4) 0.0248(16) Uani 1 1 d . . . . .
C13 C 0.1291(6) 0.0782(5) 0.6584(3) 0.0253(15) Uani 1 1 d . . . . .
H13A H 0.2030 0.0771 0.6862 0.030 Uiso 1 1 calc R U . . .
C14 C -0.0929(7) 0.2381(5) 0.5786(4) 0.0350(19) Uani 1 1 d . . . . .
H14A H -0.0416 0.2858 0.5941 0.053 Uiso 1 1 calc R U . . .
H14B H -0.1013 0.2389 0.5282 0.053 Uiso 1 1 calc R U . . .
H14C H -0.1755 0.2424 0.5987 0.053 Uiso 1 1 calc R U . . .
C15 C -0.1061(7) -0.0763(5) 0.5799(4) 0.0390(19) Uani 1 1 d . . . . .
H15A H -0.1825 -0.0613 0.5541 0.058 Uiso 1 1 calc R U . . .
H15B H -0.0526 -0.1102 0.5505 0.058 Uiso 1 1 calc R U . . .
H15C H -0.1274 -0.1089 0.6209 0.058 Uiso 1 1 calc R U . . .
C16 C 0.1391(6) -0.0786(5) 0.6585(4) 0.0261(15) Uani 1 1 d . . . . .
C17 C 0.1613(7) -0.0986(4) 0.7278(4) 0.0285(17) Uani 1 1 d . . . . .
H17A H 0.1327 -0.0620 0.7628 0.034 Uiso 1 1 calc R U . . .
C18 C 0.2244(7) -0.1709(5) 0.7459(4) 0.0343(19) Uani 1 1 d . . . . .
H18A H 0.2365 -0.1849 0.7932 0.041 Uiso 1 1 calc R U . . .
C19 C 0.2705(6) -0.2233(4) 0.6955(4) 0.0261(17) Uani 1 1 d . . . . .
C20 C 0.2517(7) -0.2031(5) 0.6268(4) 0.0319(18) Uani 1 1 d . . . . .
H20A H 0.2853 -0.2378 0.5919 0.038 Uiso 1 1 calc R U . . .
C21 C 0.1838(7) -0.1322(5) 0.6090(4) 0.0311(18) Uani 1 1 d . . . . .
H21A H 0.1676 -0.1202 0.5617 0.037 Uiso 1 1 calc R U . . .
C22 C 0.3452(7) -0.3009(5) 0.7152(4) 0.0289(18) Uani 1 1 d . . . . .
C23 C 0.4509(8) 0.6936(5) 0.9637(4) 0.0344(19) Uani 1 1 d . . . . .
C24 C 0.4737(7) 0.7587(5) 1.0165(4) 0.0350(19) Uani 1 1 d . . . . .
C25 C 0.5619(8) 0.7465(6) 1.0689(4) 0.044(2) Uani 1 1 d . . . . .
H25A H 0.6137 0.6980 1.0680 0.053 Uiso 1 1 calc R U . . .
C26 C 0.5760(9) 0.8040(6) 1.1230(5) 0.050(2) Uani 1 1 d . . . . .
H26A H 0.6362 0.7942 1.1588 0.060 Uiso 1 1 calc R U . . .
C27 C 0.5014(7) 0.8760(5) 1.1245(4) 0.0319(18) Uani 1 1 d . . . . .
C28 C 0.4151(8) 0.8893(5) 1.0706(4) 0.0369(19) Uani 1 1 d . . . . .
H28A H 0.3659 0.9390 1.0699 0.044 Uiso 1 1 calc R U . . .
C29 C 0.4005(8) 0.8303(5) 1.0180(4) 0.0355(19) Uani 1 1 d . . . . .
H29A H 0.3393 0.8393 0.9826 0.043 Uiso 1 1 calc R U . . .
C30 C 0.5045(7) 0.9298(5) 1.1876(4) 0.0330(18) Uani 1 1 d . . . . .
C31 C 0.5000 0.8867(7) 1.2500 0.039(3) Uani 1 2 d S T P . .
H31A H 0.5000 0.8269 1.2500 0.046 Uiso 1 2 calc R U P . .
C32 C 0.5063(7) 1.0177(5) 1.1869(4) 0.0347(19) Uani 1 1 d . . . . .
C33 C 0.5000 1.0592(7) 1.2500 0.036(3) Uani 1 2 d S T P . .
H33A H 0.5000 1.1190 1.2500 0.043 Uiso 1 2 calc R U P . .
C34 C 0.5212(8) 1.0684(6) 1.1220(5) 0.046(2) Uani 1 1 d . . . . .
H34A H 0.5241 1.0303 1.0823 0.070 Uiso 1 1 calc R U . . .
H34B H 0.4505 1.1069 1.1162 0.070 Uiso 1 1 calc R U . . .
H34C H 0.5986 1.1009 1.1254 0.070 Uiso 1 1 calc R U . . .
C35 C 0.030(2) 0.4590(13) 0.8986(12) 0.067(6) Uani 0.5 1 d . U P A 2
H35A H -0.0441 0.4299 0.9155 0.101 Uiso 0.5 1 calc R U P A 2
H35B H 0.0479 0.4388 0.8522 0.101 Uiso 0.5 1 calc R U P A 2
H35C H 0.1009 0.4475 0.9297 0.101 Uiso 0.5 1 calc R U P A 2
C35' C 0.047(3) 0.4691(17) 0.8038(14) 0.105(9) Uani 0.5 1 d . U P B 1
H35D H -0.0207 0.4526 0.7718 0.157 Uiso 0.5 1 calc R U P B 1
H35E H 0.1263 0.4666 0.7803 0.157 Uiso 0.5 1 calc R U P B 1
H35F H 0.0490 0.4306 0.8433 0.157 Uiso 0.5 1 calc R U P B 1
C36' C -0.096(2) 0.5916(16) 0.8096(14) 0.085(5) Uani 0.5 1 d . U P B 1
H36A H -0.1387 0.5540 0.7769 0.128 Uiso 0.5 1 calc R U P B 1
H36B H -0.1452 0.5978 0.8510 0.128 Uiso 0.5 1 calc R U P B 1
H36C H -0.0841 0.6469 0.7882 0.128 Uiso 0.5 1 calc R U P B 1
C36 C -0.129(2) 0.5771(15) 0.9075(14) 0.085(5) Uani 0.5 1 d . U P A 2
H36D H -0.1762 0.5289 0.9243 0.128 Uiso 0.5 1 calc R U P A 2
H36E H -0.1309 0.6227 0.9416 0.128 Uiso 0.5 1 calc R U P A 2
H36F H -0.1661 0.5968 0.8638 0.128 Uiso 0.5 1 calc R U P A 2
C37 C 0.1021(8) 0.5977(6) 0.8736(5) 0.049(2) Uani 1 1 d . . . . .
C38 C 0.0769(9) 0.6887(6) 0.8839(6) 0.068(3) Uani 1 1 d . . . . .
H38A H -0.0122 0.6996 0.8765 0.102 Uiso 1 1 calc R U . . .
H38B H 0.1017 0.7049 0.9310 0.102 Uiso 1 1 calc R U . . .
H38C H 0.1245 0.7217 0.8509 0.102 Uiso 1 1 calc R U . . .
N1' N 0.0249(12) 0.5562(9) 0.8284(9) 0.043(4) Uani 0.5 1 d . . P B 1
N1 N 0.0058(14) 0.5508(9) 0.8964(11) 0.061(5) Uani 0.5 1 d . . P A 2
O1 O 0.3631(5) 0.4830(3) 0.7674(3) 0.0338(13) Uani 1 1 d . . . . .
O2 O 0.4082(5) 0.4958(3) 0.6565(3) 0.0377(14) Uani 1 1 d . . . . .
O3 O 0.4235(5) -0.3268(3) 0.6754(3) 0.0442(15) Uani 1 1 d . . . . .
O4 O 0.3224(6) -0.3326(4) 0.7730(3) 0.0455(15) Uani 1 1 d . . . . .
O5 O 0.3709(5) 0.7069(4) 0.9169(3) 0.0418(14) Uani 1 1 d . . . . .
O6 O 0.5125(6) 0.6249(4) 0.9636(3) 0.0535(17) Uani 1 1 d . . . . .
O7 O 0.2059(5) 0.5652(3) 0.8795(3) 0.0415(14) Uani 1 1 d . . . . .
O1W O 0.3819(6) 0.4665(4) 0.9307(3) 0.0533(17) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O4 2.278(5) 1_565 ?
Dy1 O3 2.304(5) 2_666 ?
Dy1 O2 2.310(5) 2_656 ?
Dy1 O1 2.330(5) . ?
Dy1 O7 2.379(5) . ?
Dy1 O5 2.424(5) . ?
Dy1 O1W 2.424(6) . ?
Dy1 O6 2.471(6) . ?
Dy1 C23 2.826(8) . ?
C1 O2 1.246(9) . ?
C1 O1 1.248(9) . ?
C1 C2 1.519(10) . ?
C2 C3 1.386(10) . ?
C2 C7 1.389(10) . ?
C3 C4 1.383(10) . ?
C4 C5 1.392(10) . ?
C5 C6 1.372(10) . ?
C5 C8 1.501(9) . ?
C6 C7 1.379(10) . ?
C8 C13 1.375(10) . ?
C8 C9 1.400(10) . ?
C9 C10 1.384(10) . ?
C9 C14 1.501(10) . ?
C10 C11 1.399(10) . ?
C11 C12 1.390(10) . ?
C11 C15 1.517(10) . ?
C12 C13 1.393(10) . ?
C12 C16 1.503(10) . ?
C16 C21 1.379(10) . ?
C16 C17 1.396(10) . ?
C17 C18 1.375(10) . ?
C18 C19 1.384(10) . ?
C19 C20 1.382(10) . ?
C19 C22 1.514(10) . ?
C20 C21 1.381(10) . ?
C22 O3 1.227(9) . ?
C22 O4 1.258(9) . ?
C23 O5 1.252(9) . ?
C23 O6 1.276(10) . ?
C23 C24 1.473(11) . ?
C24 C29 1.383(11) . ?
C24 C25 1.387(11) . ?
C25 C26 1.397(12) . ?
C26 C27 1.397(12) . ?
C27 C28 1.397(11) . ?
C27 C30 1.492(11) . ?
C28 C29 1.392(11) . ?
C30 C32 1.396(11) . ?
C30 C31 1.393(9) . ?
C31 C30 1.393(9) 2_657 ?
C32 C33 1.392(9) . ?
C32 C34 1.506(11) . ?
C33 C32 1.392(9) 2_657 ?
C35 N1 1.48(2) . ?
C35' N1' 1.48(3) . ?
C36' N1' 1.45(3) . ?
C36 N1 1.53(3) . ?
C37 O7 1.232(10) . ?
C37 N1 1.357(18) . ?
C37 N1' 1.363(16) . ?
C37 C38 1.485(12) . ?
O2 Dy1 2.311(5) 2_656 ?
O3 Dy1 2.304(5) 2_646 ?
O4 Dy1 2.278(5) 1_545 ?

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
_geom_angle_publ_flag
O4 Dy1 O3 78.1(2) 1_565 2_666 ?
O4 Dy1 O2 131.4(2) 1_565 2_656 ?
O3 Dy1 O2 76.2(2) 2_666 2_656 ?
O4 Dy1 O1 80.1(2) 1_565 . ?
O3 Dy1 O1 116.4(2) 2_666 . ?
O2 Dy1 O1 75.58(19) 2_656 . ?
O4 Dy1 O7 78.0(2) 1_565 . ?
O3 Dy1 O7 146.80(19) 2_666 . ?
O2 Dy1 O7 136.98(19) 2_656 . ?
O1 Dy1 O7 81.56(19) . . ?
O4 Dy1 O5 76.0(2) 1_565 . ?
O3 Dy1 O5 76.4(2) 2_666 . ?
O2 Dy1 O5 134.51(19) 2_656 . ?
O1 Dy1 O5 149.79(19) . . ?
O7 Dy1 O5 75.69(19) . . ?
O4 Dy1 O1W 142.8(2) 1_565 . ?
O3 Dy1 O1W 138.8(2) 2_666 . ?
O2 Dy1 O1W 75.2(2) 2_656 . ?
O1 Dy1 O1W 84.0(2) . . ?
O7 Dy1 O1W 66.5(2) . . ?
O5 Dy1 O1W 104.4(2) . . ?
O4 Dy1 O6 126.2(2) 1_565 . ?
O3 Dy1 O6 74.7(2) 2_666 . ?
O2 Dy1 O6 85.0(2) 2_656 . ?
O1 Dy1 O6 153.75(19) . . ?
O7 Dy1 O6 101.8(2) . . ?
O5 Dy1 O6 52.96(19) . . ?
O1W Dy1 O6 74.0(2) . . ?
O4 Dy1 C23 100.5(2) 1_565 . ?
O3 Dy1 C23 72.5(2) 2_666 . ?
O2 Dy1 C23 109.9(2) 2_656 . ?
O1 Dy1 C23 170.9(2) . . ?
O7 Dy1 C23 89.6(2) . . ?
O5 Dy1 C23 26.2(2) . . ?
O1W Dy1 C23 90.4(2) . . ?
O6 Dy1 C23 26.8(2) . . ?
O2 C1 O1 126.2(7) . . ?
O2 C1 C2 116.6(7) . . ?
O1 C1 C2 117.2(7) . . ?
C3 C2 C7 118.8(7) . . ?
C3 C2 C1 121.6(7) . . ?
C7 C2 C1 119.6(7) . . ?
C4 C3 C2 120.7(7) . . ?
C3 C4 C5 120.7(7) . . ?
C6 C5 C4 117.9(6) . . ?
C6 C5 C8 121.4(6) . . ?
C4 C5 C8 120.6(6) . . ?
C5 C6 C7 122.3(7) . . ?
C6 C7 C2 119.7(7) . . ?
C13 C8 C9 118.9(7) . . ?
C13 C8 C5 119.6(6) . . ?
C9 C8 C5 121.4(6) . . ?
C10 C9 C8 118.1(7) . . ?
C10 C9 C14 119.2(6) . . ?
C8 C9 C14 122.7(7) . . ?
C9 C10 C11 123.3(6) . . ?
C12 C11 C10 117.8(6) . . ?
C12 C11 C15 122.8(7) . . ?
C10 C11 C15 119.4(7) . . ?
C11 C12 C13 119.0(7) . . ?
C11 C12 C16 122.2(6) . . ?
C13 C12 C16 118.8(6) . . ?
C8 C13 C12 122.7(6) . . ?
C21 C16 C17 118.4(7) . . ?
C21 C16 C12 121.5(6) . . ?
C17 C16 C12 120.1(7) . . ?
C18 C17 C16 120.5(7) . . ?
C17 C18 C19 120.4(7) . . ?
C20 C19 C18 119.6(7) . . ?
C20 C19 C22 119.8(7) . . ?
C18 C19 C22 120.6(7) . . ?
C21 C20 C19 119.6(7) . . ?
C20 C21 C16 121.5(7) . . ?
O3 C22 O4 125.3(7) . . ?
O3 C22 C19 118.8(7) . . ?
O4 C22 C19 115.9(7) . . ?
O5 C23 O6 119.4(8) . . ?
O5 C23 C24 119.0(7) . . ?
O6 C23 C24 121.6(8) . . ?
O5 C23 Dy1 58.7(4) . . ?
O6 C23 Dy1 60.9(4) . . ?
C24 C23 Dy1 173.5(5) . . ?
C29 C24 C25 118.6(8) . . ?
C29 C24 C23 120.4(7) . . ?
C25 C24 C23 120.7(8) . . ?
C24 C25 C26 121.3(8) . . ?
C27 C26 C25 119.9(8) . . ?
C26 C27 C28 118.6(8) . . ?
C26 C27 C30 119.0(7) . . ?
C28 C27 C30 121.8(7) . . ?
C29 C28 C27 120.5(8) . . ?
C24 C29 C28 121.0(8) . . ?
C32 C30 C31 120.0(8) . . ?
C32 C30 C27 124.5(7) . . ?
C31 C30 C27 115.4(7) . . ?
C30 C31 C30 121.1(11) . 2_657 ?
C33 C32 C30 117.7(8) . . ?
C33 C32 C34 119.3(8) . . ?
C30 C32 C34 122.9(8) . . ?
C32 C33 C32 123.5(10) . 2_657 ?
O7 C37 N1 115.8(10) . . ?
O7 C37 N1' 113.1(9) . . ?
O7 C37 C38 124.3(8) . . ?
N1 C37 C38 110.4(10) . . ?
N1' C37 C38 116.5(9) . . ?
C37 N1' C36' 120.1(14) . . ?
C37 N1' C35' 124.0(15) . . ?
C36' N1' C35' 115.3(18) . . ?
C37 N1 C35 114.7(15) . . ?
C37 N1 C36 128.9(15) . . ?
C35 N1 C36 115.4(17) . . ?
C1 O1 Dy1 150.7(5) . . ?
C1 O2 Dy1 132.7(5) . 2_656 ?
C22 O3 Dy1 150.9(5) . 2_646 ?
C22 O4 Dy1 137.8(5) . 1_545 ?
C23 O5 Dy1 95.1(5) . . ?
C23 O6 Dy1 92.3(5) . . ?
C37 O7 Dy1 143.9(6) . . ?

_refine_diff_density_max         2.561
_refine_diff_density_min         -0.968
_refine_diff_density_rms         0.153

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2
_audit_block_doi                 10.5517/cc1jq9bw
_database_code_depnum_ccdc_archive 'CCDC 1421608'
_audit_update_record             
;
2015-09-01 deposited with the CCDC.
2016-02-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C37 H34 N O8 Tb'
_chemical_formula_weight         779.57

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'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_H-M_alt        'P 2/c'
_space_group_name_Hall           '-P 2yc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'

_cell_length_a                   10.8481(10)
_cell_length_b                   15.9105(13)
_cell_length_c                   19.5148(16)
_cell_angle_alpha                90
_cell_angle_beta                 92.135(2)
_cell_angle_gamma                90
_cell_volume                     3365.9(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.538
_exptl_crystal_F_000             1568
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    2.154
_shelx_estimated_absorpt_T_min   0.698
_shelx_estimated_absorpt_T_max   0.782
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   'CrysAlis PRO (Agilent, 2014)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_measurement_device_type  
'Agilent Technologies SuperNova Dual diffractometer with Atlas detector'
_diffrn_measurement_method       'ω scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            29235
_diffrn_reflns_av_unetI/netI     0.0914
_diffrn_reflns_av_R_equivalents  0.0888
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.652
_diffrn_reflns_theta_max         26.365
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             6868
_reflns_number_gt                4060
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0708P)²+0.2219P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6868
_refine_ls_number_parameters     424
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1151
_refine_ls_R_factor_gt           0.0513
_refine_ls_wR_factor_ref         0.1452
_refine_ls_wR_factor_gt          0.1168
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_restrained_S_all      1.038
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb1 Tb -0.42136(3) -0.41710(2) 0.64887(2) 0.03482(14) Uani 1 1 d . . . . .
C1 C -0.3583(7) -0.5400(5) 0.7940(5) 0.045(2) Uani 1 1 d . . . . .
C2 C -0.2859(7) -0.6199(5) 0.8105(4) 0.0367(18) Uani 1 1 d . . . . .
C3 C -0.2393(7) -0.6702(5) 0.7603(4) 0.043(2) Uani 1 1 d . . . . .
H3 H -0.2521 -0.6552 0.7145 0.051 Uiso 1 1 calc R U . . .
C4 C -0.1748(7) -0.7415(5) 0.7762(4) 0.047(2) Uani 1 1 d . . . . .
H4 H -0.1463 -0.7749 0.7411 0.056 Uiso 1 1 calc R U . . .
C5 C -0.1506(7) -0.7652(4) 0.8443(4) 0.0360(18) Uani 1 1 d . . . . .
C6 C -0.1993(7) -0.7139(5) 0.8940(4) 0.043(2) Uani 1 1 d . . . . .
H6 H -0.1861 -0.7285 0.9399 0.052 Uiso 1 1 calc R U . . .
C7 C -0.2660(7) -0.6425(5) 0.8787(4) 0.0412(19) Uani 1 1 d . . . . .
H7 H -0.2974 -0.6099 0.9135 0.049 Uiso 1 1 calc R U . . .
C8 C -0.0826(6) -0.8436(4) 0.8619(3) 0.0324(17) Uani 1 1 d . . . . .
C9 C 0.0311(7) -0.8414(4) 0.8989(4) 0.0346(17) Uani 1 1 d . . . . .
C10 C 0.0869(6) -0.9185(5) 0.9153(4) 0.0404(18) Uani 1 1 d . . . . .
H10 H 0.1627 -0.9178 0.9393 0.048 Uiso 1 1 calc R U . . .
C11 C 0.0363(7) -0.9953(5) 0.8981(4) 0.0378(19) Uani 1 1 d . . . . .
C12 C -0.0763(7) -0.9967(4) 0.8608(4) 0.0358(17) Uani 1 1 d . . . . .
C13 C -0.1309(7) -0.9200(4) 0.8426(4) 0.0366(16) Uani 1 1 d . . . . .
H13 H -0.2038 -0.9208 0.8160 0.044 Uiso 1 1 calc R U . . .
C14 C 0.0922(8) -0.7611(5) 0.9223(4) 0.055(2) Uani 1 1 d . . . . .
H14A H 0.0374 -0.7148 0.9131 0.083 Uiso 1 1 calc R U . . .
H14B H 0.1668 -0.7532 0.8981 0.083 Uiso 1 1 calc R U . . .
H14C H 0.1115 -0.7642 0.9706 0.083 Uiso 1 1 calc R U . . .
C15 C 0.1035(8) -1.0753(5) 0.9201(5) 0.056(2) Uani 1 1 d . . . . .
H15A H 0.1908 -1.0671 0.9171 0.084 Uiso 1 1 calc R U . . .
H15B H 0.0775 -1.1207 0.8906 0.084 Uiso 1 1 calc R U . . .
H15C H 0.0846 -1.0885 0.9666 0.084 Uiso 1 1 calc R U . . .
C16 C -0.1410(7) -1.0764(5) 0.8422(4) 0.0383(17) Uani 1 1 d . . . . .
C17 C -0.1623(8) -1.0981(5) 0.7743(4) 0.045(2) Uani 1 1 d . . . . .
H17 H -0.1333 -1.0630 0.7405 0.054 Uiso 1 1 calc R U . . .
C18 C -0.2253(7) -1.1702(5) 0.7549(4) 0.046(2) Uani 1 1 d . . . . .
H18 H -0.2354 -1.1840 0.7088 0.055 Uiso 1 1 calc R U . . .
C19 C -0.2736(7) -1.2224(5) 0.8047(4) 0.0399(19) Uani 1 1 d . . . . .
C20 C -0.2539(8) -1.1990(5) 0.8733(4) 0.046(2) Uani 1 1 d . . . . .
H20 H -0.2861 -1.2322 0.9076 0.056 Uiso 1 1 calc R U . . .
C21 C -0.1882(8) -1.1284(5) 0.8912(4) 0.050(2) Uani 1 1 d . . . . .
H21 H -0.1752 -1.1153 0.9373 0.060 Uiso 1 1 calc R U . . .
C22 C -0.3469(7) -1.2987(5) 0.7842(4) 0.0390(19) Uani 1 1 d . . . . .
C23 C -0.4555(9) -0.3060(6) 0.5365(4) 0.052(2) Uani 1 1 d . . . . .
C24 C -0.4770(7) -0.2429(6) 0.4825(4) 0.047(2) Uani 1 1 d . . . . .
C25 C -0.5622(8) -0.2543(6) 0.4299(5) 0.066(3) Uani 1 1 d . . . . .
H25 H -0.6122 -0.3017 0.4298 0.079 Uiso 1 1 calc R U . . .
C26 C -0.5759(9) -0.1963(7) 0.3762(5) 0.070(3) Uani 1 1 d . . . . .
H26 H -0.6347 -0.2058 0.3412 0.084 Uiso 1 1 calc R U . . .
C27 C -0.5036(8) -0.1256(5) 0.3748(4) 0.048(2) Uani 1 1 d . . . . .
C28 C -0.4168(8) -0.1119(5) 0.4285(4) 0.052(2) Uani 1 1 d . . . . .
H28 H -0.3676 -0.0641 0.4292 0.062 Uiso 1 1 calc R U . . .
C29 C -0.4052(8) -0.1711(6) 0.4811(4) 0.055(2) Uani 1 1 d . . . . .
H29 H -0.3470 -0.1620 0.5165 0.066 Uiso 1 1 calc R U . . .
C30 C -0.5053(8) -0.0720(5) 0.3121(4) 0.048(2) Uani 1 1 d . . . . .
C31 C -0.5000 -0.1154(8) 0.2500 0.056(3) Uani 1 2 d S T P . .
H31 H -0.5000 -0.1738 0.2500 0.067 Uiso 1 2 calc R U P . .
C32 C -0.5082(8) 0.0160(5) 0.3127(4) 0.051(2) Uani 1 1 d . . . . .
C33 C -0.5000 0.0567(8) 0.2500 0.054(3) Uani 1 2 d S T P . .
H33 H -0.5000 0.1151 0.2500 0.064 Uiso 1 2 calc R U P . .
C34 C -0.5238(10) 0.0665(6) 0.3763(5) 0.069(3) Uani 1 1 d . . . . .
H34A H -0.5705 0.0347 0.4081 0.103 Uiso 1 1 calc R U . . .
H34B H -0.5667 0.1177 0.3648 0.103 Uiso 1 1 calc R U . . .
H34C H -0.4443 0.0796 0.3967 0.103 Uiso 1 1 calc R U . . .
C35A C -0.042(3) -0.541(2) 0.6834(16) 0.132(10) Uiso 0.5 1 d . . P A 1
C35B C -0.036(2) -0.5434(17) 0.6127(13) 0.097(8) Uiso 0.5 1 d . . P B 2
C36B C 0.127(3) -0.4203(17) 0.6037(16) 0.113(9) Uiso 0.5 1 d . . P B 2
C36A C 0.116(3) -0.4138(18) 0.6654(17) 0.125(10) Uiso 0.5 1 d . . P A 1
C37 C -0.1044(9) -0.4010(7) 0.6253(6) 0.075(3) Uani 1 1 d . . . . .
C38B C -0.085(2) -0.3085(17) 0.6023(13) 0.075(8) Uiso 0.5 1 d . . P C 2
C38A C -0.077(2) -0.3050(15) 0.6315(12) 0.063(6) Uiso 0.5 1 d . . P C 1
N1A N -0.0212(18) -0.4422(11) 0.6620(10) 0.078(5) Uiso 0.5 1 d . . P A 1
NN1B N -0.008(2) -0.4446(13) 0.6075(11) 0.097(6) Uiso 0.5 1 d . . P B 2
O1 O -0.3606(5) -0.5158(3) 0.7322(3) 0.0523(15) Uani 1 1 d . . . . .
O2 O -0.4085(5) -0.5041(3) 0.8420(3) 0.0548(16) Uani 1 1 d . . . . .
O3 O -0.4218(5) -1.3262(3) 0.8246(3) 0.0563(16) Uani 1 1 d . . . . .
O4 O -0.3251(6) -1.3302(3) 0.7277(3) 0.0554(16) Uani 1 1 d . . . . .
O5 O -0.3751(6) -0.2919(4) 0.5837(3) 0.0637(18) Uani 1 1 d . . . . .
O6 O -0.5155(7) -0.3743(4) 0.5361(3) 0.072(2) Uani 1 1 d . . . . .
O7 O -0.2096(6) -0.4323(4) 0.6213(3) 0.0675(18) Uani 1 1 d . . . . .
O1W O -0.3845(7) -0.5341(4) 0.5694(3) 0.080(2) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Tb1 O4 2.290(5) 1_565 ?
Tb1 O3 2.307(6) 2_466 ?
Tb1 O2 2.318(5) 2_456 ?
Tb1 O1 2.338(5) . ?
Tb1 O7 2.390(6) . ?
Tb1 O5 2.427(6) . ?
Tb1 O1W 2.465(6) . ?
Tb1 O6 2.486(6) . ?
Tb1 C23 2.830(9) . ?
C1 O2 1.242(9) . ?
C1 O1 1.264(9) . ?
C1 C2 1.524(11) . ?
C2 C3 1.375(10) . ?
C2 C7 1.388(10) . ?
C3 C4 1.363(10) . ?
C3 H3 0.9300 . ?
C4 C5 1.396(10) . ?
C4 H4 0.9300 . ?
C5 C6 1.389(10) . ?
C5 C8 1.483(10) . ?
C6 C7 1.373(10) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 C13 1.370(10) . ?
C8 C9 1.406(9) . ?
C9 C10 1.400(10) . ?
C9 C14 1.502(10) . ?
C10 C11 1.376(10) . ?
C10 H10 0.9300 . ?
C11 C12 1.399(10) . ?
C11 C15 1.521(9) . ?
C12 C13 1.396(10) . ?
C12 C16 1.488(10) . ?
C13 H13 0.9300 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 C21 1.376(10) . ?
C16 C17 1.381(10) . ?
C17 C18 1.381(10) . ?
C17 H17 0.9300 . ?
C18 C19 1.395(10) . ?
C18 H18 0.9300 . ?
C19 C20 1.398(10) . ?
C19 C22 1.498(10) . ?
C20 C21 1.368(10) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C22 O3 1.234(9) . ?
C22 O4 1.242(9) . ?
C23 O5 1.263(10) . ?
C23 O6 1.267(10) . ?
C23 C24 1.469(11) . ?
C24 C25 1.367(11) . ?
C24 C29 1.383(11) . ?
C25 C26 1.399(12) . ?
C25 H25 0.9300 . ?
C26 C27 1.373(12) . ?
C26 H26 0.9300 . ?
C27 C28 1.400(11) . ?
C27 C30 1.491(11) . ?
C28 C29 1.394(11) . ?
C28 H28 0.9300 . ?
C29 H29 0.9300 . ?
C30 C31 1.398(10) . ?
C30 C32 1.400(11) . ?
C31 C30 1.398(10) 2_455 ?
C31 H31 0.9300 . ?
C32 C33 1.391(9) . ?
C32 C34 1.492(11) . ?
C33 C32 1.391(9) 2_455 ?
C33 H33 0.9300 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35A N1A 1.65(3) . ?
C35B NN1B 1.61(3) . ?
C36B NN1B 1.52(3) . ?
C36A N1A 1.56(3) . ?
C37 O7 1.245(11) . ?
C37 N1A 1.31(2) . ?
C37 NN1B 1.32(2) . ?
C37 C38B 1.55(3) . ?
C37 C38A 1.56(3) . ?
O2 Tb1 2.318(5) 2_456 ?
O3 Tb1 2.307(6) 2_446 ?
O4 Tb1 2.290(5) 1_545 ?

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
_geom_angle_publ_flag
O4 Tb1 O3 78.0(2) 1_565 2_466 ?
O4 Tb1 O2 130.8(2) 1_565 2_456 ?
O3 Tb1 O2 76.2(2) 2_466 2_456 ?
O4 Tb1 O1 80.1(2) 1_565 . ?
O3 Tb1 O1 117.1(2) 2_466 . ?
O2 Tb1 O1 75.5(2) 2_456 . ?
O4 Tb1 O7 78.1(2) 1_565 . ?
O3 Tb1 O7 146.8(2) 2_466 . ?
O2 Tb1 O7 137.0(2) 2_456 . ?
O1 Tb1 O7 80.8(2) . . ?
O4 Tb1 O5 76.0(2) 1_565 . ?
O3 Tb1 O5 76.8(2) 2_466 . ?
O2 Tb1 O5 135.3(2) 2_456 . ?
O1 Tb1 O5 149.1(2) . . ?
O7 Tb1 O5 75.3(2) . . ?
O4 Tb1 O1W 142.9(2) 1_565 . ?
O3 Tb1 O1W 138.8(2) 2_466 . ?
O2 Tb1 O1W 75.3(2) 2_456 . ?
O1 Tb1 O1W 83.2(2) . . ?
O7 Tb1 O1W 66.6(2) . . ?
O5 Tb1 O1W 104.4(2) . . ?
O4 Tb1 O6 126.2(2) 1_565 . ?
O3 Tb1 O6 75.2(2) 2_466 . ?
O2 Tb1 O6 86.0(2) 2_456 . ?
O1 Tb1 O6 153.6(2) . . ?
O7 Tb1 O6 101.2(2) . . ?
O5 Tb1 O6 52.9(2) . . ?
O1W Tb1 O6 73.8(2) . . ?
O4 Tb1 C23 100.7(2) 1_565 . ?
O3 Tb1 C23 72.9(2) 2_466 . ?
O2 Tb1 C23 110.5(2) 2_456 . ?
O1 Tb1 C23 169.7(2) . . ?
O7 Tb1 C23 89.3(2) . . ?
O5 Tb1 C23 26.4(2) . . ?
O1W Tb1 C23 90.2(3) . . ?
O6 Tb1 C23 26.6(2) . . ?
O2 C1 O1 125.9(8) . . ?
O2 C1 C2 117.5(8) . . ?
O1 C1 C2 116.6(8) . . ?
C3 C2 C7 119.0(7) . . ?
C3 C2 C1 122.3(7) . . ?
C7 C2 C1 118.7(7) . . ?
C4 C3 C2 121.4(7) . . ?
C4 C3 H3 119.3 . . ?
C2 C3 H3 119.3 . . ?
C3 C4 C5 121.3(7) . . ?
C3 C4 H4 119.4 . . ?
C5 C4 H4 119.4 . . ?
C6 C5 C4 116.3(7) . . ?
C6 C5 C8 122.1(7) . . ?
C4 C5 C8 121.5(7) . . ?
C7 C6 C5 123.1(7) . . ?
C7 C6 H6 118.5 . . ?
C5 C6 H6 118.5 . . ?
C6 C7 C2 119.0(7) . . ?
C6 C7 H7 120.5 . . ?
C2 C7 H7 120.5 . . ?
C13 C8 C9 118.8(7) . . ?
C13 C8 C5 120.0(7) . . ?
C9 C8 C5 121.1(6) . . ?
C10 C9 C8 117.3(7) . . ?
C10 C9 C14 119.6(7) . . ?
C8 C9 C14 123.1(7) . . ?
C11 C10 C9 123.8(7) . . ?
C11 C10 H10 118.1 . . ?
C9 C10 H10 118.1 . . ?
C10 C11 C12 118.3(7) . . ?
C10 C11 C15 119.4(7) . . ?
C12 C11 C15 122.3(7) . . ?
C13 C12 C11 118.1(7) . . ?
C13 C12 C16 119.4(7) . . ?
C11 C12 C16 122.4(7) . . ?
C8 C13 C12 123.5(7) . . ?
C8 C13 H13 118.3 . . ?
C12 C13 H13 118.3 . . ?
C9 C14 H14A 109.5 . . ?
C9 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C9 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C11 C15 H15A 109.5 . . ?
C11 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C11 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C21 C16 C17 117.5(7) . . ?
C21 C16 C12 121.8(7) . . ?
C17 C16 C12 120.5(7) . . ?
C18 C17 C16 122.3(7) . . ?
C18 C17 H17 118.9 . . ?
C16 C17 H17 118.9 . . ?
C17 C18 C19 119.9(7) . . ?
C17 C18 H18 120.1 . . ?
C19 C18 H18 120.1 . . ?
C18 C19 C20 117.5(7) . . ?
C18 C19 C22 120.3(7) . . ?
C20 C19 C22 122.2(7) . . ?
C21 C20 C19 121.4(8) . . ?
C21 C20 H20 119.3 . . ?
C19 C20 H20 119.3 . . ?
C20 C21 C16 121.3(8) . . ?
C20 C21 H21 119.3 . . ?
C16 C21 H21 119.3 . . ?
O3 C22 O4 125.2(7) . . ?
O3 C22 C19 118.1(8) . . ?
O4 C22 C19 116.7(7) . . ?
O5 C23 O6 119.8(8) . . ?
O5 C23 C24 119.2(8) . . ?
O6 C23 C24 120.9(8) . . ?
O5 C23 Tb1 58.7(4) . . ?
O6 C23 Tb1 61.4(5) . . ?
C24 C23 Tb1 175.0(6) . . ?
C25 C24 C29 117.4(8) . . ?
C25 C24 C23 122.2(9) . . ?
C29 C24 C23 120.3(8) . . ?
C24 C25 C26 121.7(9) . . ?
C24 C25 H25 119.2 . . ?
C26 C25 H25 119.2 . . ?
C27 C26 C25 120.7(8) . . ?
C27 C26 H26 119.6 . . ?
C25 C26 H26 119.6 . . ?
C26 C27 C28 118.7(8) . . ?
C26 C27 C30 119.8(7) . . ?
C28 C27 C30 120.9(8) . . ?
C29 C28 C27 119.1(8) . . ?
C29 C28 H28 120.4 . . ?
C27 C28 H28 120.4 . . ?
C24 C29 C28 122.5(8) . . ?
C24 C29 H29 118.8 . . ?
C28 C29 H29 118.8 . . ?
C31 C30 C32 120.2(8) . . ?
C31 C30 C27 115.4(8) . . ?
C32 C30 C27 124.3(7) . . ?
C30 C31 C30 120.8(11) . 2_455 ?
C30 C31 H31 119.6 . . ?
C30 C31 H31 119.6 2_455 . ?
C33 C32 C30 117.1(8) . . ?
C33 C32 C34 119.5(8) . . ?
C30 C32 C34 123.3(8) . . ?
C32 C33 C32 124.5(11) . 2_455 ?
C32 C33 H33 117.8 . . ?
C32 C33 H33 117.8 2_455 . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
O7 C37 N1A 116.5(13) . . ?
O7 C37 NN1B 120.7(13) . . ?
O7 C37 C38B 119.5(13) . . ?
NN1B C37 C38B 107.9(16) . . ?
O7 C37 C38A 124.7(12) . . ?
N1A C37 C38A 108.8(14) . . ?
C37 N1A C36A 121.3(19) . . ?
C37 N1A C35A 121.4(18) . . ?
C36A N1A C35A 114(2) . . ?
C37 NN1B C36B 131(2) . . ?
C37 NN1B C35B 110.2(18) . . ?
C36B NN1B C35B 116(2) . . ?
C1 O1 Tb1 149.6(6) . . ?
C1 O2 Tb1 134.9(5) . 2_456 ?
C22 O3 Tb1 151.0(6) . 2_446 ?
C22 O4 Tb1 138.0(5) . 1_545 ?
C23 O5 Tb1 94.9(5) . . ?
C23 O6 Tb1 92.0(5) . . ?
C37 O7 Tb1 146.3(7) . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O2 C1 C2 C3 172.0(8) . . . . ?
O1 C1 C2 C3 -8.7(11) . . . . ?
O2 C1 C2 C7 -8.3(11) . . . . ?
O1 C1 C2 C7 171.1(7) . . . . ?
C7 C2 C3 C4 0.3(12) . . . . ?
C1 C2 C3 C4 -180.0(7) . . . . ?
C2 C3 C4 C5 -1.7(13) . . . . ?
C3 C4 C5 C6 2.1(12) . . . . ?
C3 C4 C5 C8 178.7(7) . . . . ?
C4 C5 C6 C7 -1.1(12) . . . . ?
C8 C5 C6 C7 -177.8(7) . . . . ?
C5 C6 C7 C2 -0.3(12) . . . . ?
C3 C2 C7 C6 0.7(12) . . . . ?
C1 C2 C7 C6 -179.1(7) . . . . ?
C6 C5 C8 C13 113.8(8) . . . . ?
C4 C5 C8 C13 -62.7(10) . . . . ?
C6 C5 C8 C9 -65.6(10) . . . . ?
C4 C5 C8 C9 117.9(8) . . . . ?
C13 C8 C9 C10 -1.5(10) . . . . ?
C5 C8 C9 C10 177.9(7) . . . . ?
C13 C8 C9 C14 179.8(7) . . . . ?
C5 C8 C9 C14 -0.8(11) . . . . ?
C8 C9 C10 C11 -0.9(11) . . . . ?
C14 C9 C10 C11 177.9(8) . . . . ?
C9 C10 C11 C12 1.3(12) . . . . ?
C9 C10 C11 C15 -178.4(8) . . . . ?
C10 C11 C12 C13 0.5(11) . . . . ?
C15 C11 C12 C13 -179.8(7) . . . . ?
C10 C11 C12 C16 -177.4(7) . . . . ?
C15 C11 C12 C16 2.3(12) . . . . ?
C9 C8 C13 C12 3.4(11) . . . . ?
C5 C8 C13 C12 -176.0(7) . . . . ?
C11 C12 C13 C8 -2.9(11) . . . . ?
C16 C12 C13 C8 175.0(7) . . . . ?
C13 C12 C16 C21 -112.0(9) . . . . ?
C11 C12 C16 C21 65.9(11) . . . . ?
C13 C12 C16 C17 64.0(10) . . . . ?
C11 C12 C16 C17 -118.1(9) . . . . ?
C21 C16 C17 C18 -1.8(12) . . . . ?
C12 C16 C17 C18 -178.0(8) . . . . ?
C16 C17 C18 C19 2.3(13) . . . . ?
C17 C18 C19 C20 -0.9(12) . . . . ?
C17 C18 C19 C22 177.3(7) . . . . ?
C18 C19 C20 C21 -0.9(12) . . . . ?
C22 C19 C20 C21 -179.1(8) . . . . ?
C19 C20 C21 C16 1.4(14) . . . . ?
C17 C16 C21 C20 0.0(13) . . . . ?
C12 C16 C21 C20 176.1(8) . . . . ?
C18 C19 C22 O3 -155.4(8) . . . . ?
C20 C19 C22 O3 22.8(11) . . . . ?
C18 C19 C22 O4 25.9(11) . . . . ?
C20 C19 C22 O4 -156.0(8) . . . . ?
O5 C23 C24 C25 179.8(8) . . . . ?
O6 C23 C24 C25 0.4(14) . . . . ?
O5 C23 C24 C29 3.7(13) . . . . ?
O6 C23 C24 C29 -175.7(8) . . . . ?
C29 C24 C25 C26 0.6(14) . . . . ?
C23 C24 C25 C26 -175.6(9) . . . . ?
C24 C25 C26 C27 0.0(16) . . . . ?
C25 C26 C27 C28 -0.8(15) . . . . ?
C25 C26 C27 C30 170.1(9) . . . . ?
C26 C27 C28 C29 1.0(13) . . . . ?
C30 C27 C28 C29 -169.8(8) . . . . ?
C25 C24 C29 C28 -0.4(13) . . . . ?
C23 C24 C29 C28 175.9(8) . . . . ?
C27 C28 C29 C24 -0.5(14) . . . . ?
C26 C27 C30 C31 -44.6(12) . . . . ?
C28 C27 C30 C31 126.2(8) . . . . ?
C26 C27 C30 C32 137.2(10) . . . . ?
C28 C27 C30 C32 -52.0(13) . . . . ?
C32 C30 C31 C30 1.5(6) . . . 2_455 ?
C27 C30 C31 C30 -176.8(8) . . . 2_455 ?
C31 C30 C32 C33 -2.8(12) . . . . ?
C27 C30 C32 C33 175.3(7) . . . . ?
C31 C30 C32 C34 175.0(7) . . . . ?
C27 C30 C32 C34 -6.9(14) . . . . ?
C30 C32 C33 C32 1.4(6) . . . 2_455 ?
C34 C32 C33 C32 -176.5(9) . . . 2_455 ?
O7 C37 N1A C36A 174.3(18) . . . . ?
C38A C37 N1A C36A -38(3) . . . . ?
O7 C37 N1A C35A 17(3) . . . . ?
C38A C37 N1A C35A 164(2) . . . . ?
O7 C37 NN1B C36B 176(2) . . . . ?
C38B C37 NN1B C36B 34(3) . . . . ?
O7 C37 NN1B C35B -24(2) . . . . ?
C38B C37 NN1B C35B -166.1(18) . . . . ?
O2 C1 O1 Tb1 2.2(16) . . . . ?
C2 C1 O1 Tb1 -177.0(7) . . . . ?
O1 C1 O2 Tb1 27.4(13) . . . 2_456 ?
C2 C1 O2 Tb1 -153.4(5) . . . 2_456 ?
O4 C22 O3 Tb1 -8.2(17) . . . 2_446 ?
C19 C22 O3 Tb1 173.1(7) . . . 2_446 ?
O3 C22 O4 Tb1 22.0(13) . . . 1_545 ?
C19 C22 O4 Tb1 -159.4(5) . . . 1_545 ?
O6 C23 O5 Tb1 -5.8(9) . . . . ?
C24 C23 O5 Tb1 174.7(7) . . . . ?
O5 C23 O6 Tb1 5.7(9) . . . . ?
C24 C23 O6 Tb1 -174.9(7) . . . . ?
N1A C37 O7 Tb1 114.5(15) . . . . ?
NN1B C37 O7 Tb1 170.3(13) . . . . ?
C38B C37 O7 Tb1 -51(2) . . . . ?
C38A C37 O7 Tb1 -27(2) . . . . ?

_refine_diff_density_max         2.178
_refine_diff_density_min         -1.394
_refine_diff_density_rms         0.138

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_3
_audit_block_doi                 10.5517/cc1jq9cx
_database_code_depnum_ccdc_archive 'CCDC 1421609'
_audit_update_record             
;
2015-09-01 deposited with the CCDC.
2016-02-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C37 H34 Er N O8'
_chemical_formula_weight         787.91

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_H-M_alt        'P 2/c'
_space_group_name_Hall           '-P 2yc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'

_cell_length_a                   10.8349(5)
_cell_length_b                   15.8724(8)
_cell_length_c                   19.5158(12)
_cell_angle_alpha                90
_cell_angle_beta                 92.229(2)
_cell_angle_gamma                90
_cell_volume                     3353.7(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            pink
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.560
_exptl_crystal_F_000             1580
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.745
_exptl_crystal_size_mid          0.616
_exptl_crystal_size_min          0.103
_exptl_absorpt_coefficient_mu    2.556
_shelx_estimated_absorpt_T_min   0.252
_shelx_estimated_absorpt_T_max   0.779
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   'CrysAlis PRO (Agilent, 2014)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_measurement_device_type  
'Agilent Technologies SuperNova Dual diffractometer with Atlas detector'
_diffrn_measurement_method       'ω scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            15844
_diffrn_reflns_av_unetI/netI     0.0849
_diffrn_reflns_av_R_equivalents  0.0687
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         3.041
_diffrn_reflns_theta_max         25.373
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measured_fraction_theta_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_point_group_measured_fraction_full 0.985
_reflns_number_total             6053
_reflns_number_gt                3834
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0788P)²+3.7254P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6053
_refine_ls_number_parameters     413
_refine_ls_number_restraints     19
_refine_ls_R_factor_all          0.1049
_refine_ls_R_factor_gt           0.0527
_refine_ls_wR_factor_ref         0.1516
_refine_ls_wR_factor_gt          0.1262
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_restrained_S_all      1.030
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Er1 Er -0.42197(4) 0.91644(2) 0.14938(2) 0.03009(15) Uani 1 1 d . . . . .
C1 C -0.6405(8) 0.0380(6) 0.2075(6) 0.036(2) Uani 1 1 d . . . . .
C2 C -0.7140(8) 0.1174(6) 0.1901(5) 0.036(2) Uani 1 1 d . . . . .
C3 C -0.7568(9) 0.1686(6) 0.2404(5) 0.044(3) Uani 1 1 d . . . . .
H3A H -0.7408 0.1547 0.2862 0.053 Uiso 1 1 calc R U . . .
C4 C -0.8231(9) 0.2403(6) 0.2242(6) 0.047(3) Uani 1 1 d . . . . .
H4A H -0.8517 0.2737 0.2593 0.056 Uiso 1 1 calc R U . . .
C5 C -0.8480(8) 0.2637(5) 0.1572(5) 0.031(2) Uani 1 1 d . . . . .
C6 C -0.7996(9) 0.2128(6) 0.1072(6) 0.043(3) Uani 1 1 d . . . . .
H6A H -0.8128 0.2278 0.0614 0.051 Uiso 1 1 calc R U . . .
C7 C -0.7333(8) 0.1418(5) 0.1222(6) 0.040(2) Uani 1 1 d . . . . .
H7A H -0.7011 0.1098 0.0872 0.047 Uiso 1 1 calc R U . . .
C8 C -0.9172(8) 0.3418(5) 0.1388(5) 0.034(2) Uani 1 1 d . . . . .
C9 C -0.8676(8) 0.4191(5) 0.1585(5) 0.037(2) Uani 1 1 d . . . . .
H9A H -0.7947 0.4201 0.1853 0.044 Uiso 1 1 calc R U . . .
C10 C -0.9236(8) 0.4963(5) 0.1396(5) 0.032(2) Uani 1 1 d . . . . .
C11 C -1.0354(8) 0.4942(5) 0.1015(5) 0.033(2) Uani 1 1 d . . . . .
C12 C -1.0875(8) 0.4165(5) 0.0844(5) 0.036(2) Uani 1 1 d . . . . .
H12A H -1.1638 0.4158 0.0609 0.044 Uiso 1 1 calc R U . . .
C13 C -1.0310(8) 0.3395(5) 0.1007(5) 0.036(2) Uani 1 1 d . . . . .
C14 C -1.0918(9) 0.2597(6) 0.0774(6) 0.048(3) Uani 1 1 d . . . . .
H14A H -1.0422 0.2125 0.0924 0.071 Uiso 1 1 calc R U . . .
H14B H -1.1719 0.2557 0.0965 0.071 Uiso 1 1 calc R U . . .
H14C H -1.1004 0.2594 0.0283 0.071 Uiso 1 1 calc R U . . .
C15 C -1.1043(9) 0.5734(6) 0.0796(6) 0.047(3) Uani 1 1 d . . . . .
H15A H -1.0580 0.6219 0.0947 0.071 Uiso 1 1 calc R U . . .
H15B H -1.1148 0.5744 0.0305 0.071 Uiso 1 1 calc R U . . .
H15C H -1.1838 0.5739 0.0997 0.071 Uiso 1 1 calc R U . . .
C16 C -0.8591(8) 0.5755(5) 0.1584(5) 0.034(2) Uani 1 1 d . . . . .
C17 C -0.8379(9) 0.5982(6) 0.2261(5) 0.044(2) Uani 1 1 d . . . . .
H17A H -0.8675 0.5634 0.2602 0.052 Uiso 1 1 calc R U . . .
C18 C -0.7749(9) 0.6701(5) 0.2453(5) 0.039(2) Uani 1 1 d . . . . .
H18A H -0.7647 0.6843 0.2914 0.047 Uiso 1 1 calc R U . . .
C19 C -0.7261(8) 0.7221(5) 0.1949(5) 0.031(2) Uani 1 1 d . . . . .
C20 C -0.7459(9) 0.7011(6) 0.1270(5) 0.042(2) Uani 1 1 d . . . . .
H20A H -0.7140 0.7349 0.0930 0.050 Uiso 1 1 calc R U . . .
C21 C -0.8134(9) 0.6298(6) 0.1090(6) 0.045(3) Uani 1 1 d . . . . .
H21A H -0.8287 0.6177 0.0628 0.054 Uiso 1 1 calc R U . . .
C22 C -0.6535(8) 0.7987(6) 0.2150(5) 0.032(2) Uani 1 1 d . . . . .
C23 C -0.4547(10) 0.8074(6) 0.0378(5) 0.044(2) Uani 1 1 d . . . . .
C24 C -0.4781(9) 0.7441(6) -0.0166(5) 0.040(2) Uani 1 1 d . . . . .
C25 C -0.5642(10) 0.7554(7) -0.0691(6) 0.053(3) Uani 1 1 d . . . . .
H25A H -0.6141 0.8031 -0.0693 0.063 Uiso 1 1 calc R U . . .
C26 C -0.5790(11) 0.6964(7) -0.1226(6) 0.061(3) Uani 1 1 d . . . . .
H26A H -0.6409 0.7043 -0.1564 0.074 Uiso 1 1 calc R U . . .
C27 C -0.5030(9) 0.6270(6) -0.1256(5) 0.040(2) Uani 1 1 d . . . . .
C28 C -0.4170(9) 0.6133(6) -0.0712(5) 0.042(2) Uani 1 1 d . . . . .
H28A H -0.3689 0.5647 -0.0704 0.051 Uiso 1 1 calc R U . . .
C29 C -0.4032(9) 0.6720(6) -0.0182(5) 0.040(2) Uani 1 1 d . . . . .
H29A H -0.3435 0.6632 0.0165 0.048 Uiso 1 1 calc R U . . .
C30 C -0.5000 0.6159(8) -0.2500 0.040(3) Uani 1 2 d S T P . .
H30A H -0.5000 0.6744 -0.2500 0.048 Uiso 1 2 calc R U P . .
C31 C -0.5044(10) 0.5734(6) -0.1877(6) 0.046(2) Uani 1 1 d . . . . .
C32 C -0.5070(9) 0.4851(6) -0.1875(6) 0.043(2) Uani 1 1 d . . . . .
C33 C -0.5000 0.4442(9) -0.2500 0.043(3) Uani 1 2 d S T P . .
H33A H -0.5000 0.3856 -0.2500 0.051 Uiso 1 2 calc R U P . .
C34 C -0.5253(11) 0.4355(6) -0.1231(6) 0.054(3) Uani 1 1 d . . . . .
H34A H -0.5281 0.4732 -0.0848 0.081 Uiso 1 1 calc R U . . .
H34B H -0.6016 0.4048 -0.1275 0.081 Uiso 1 1 calc R U . . .
H34C H -0.4581 0.3967 -0.1160 0.081 Uiso 1 1 calc R U . . .
C35 C -0.0403(19) 1.0420(13) 0.1511(13) 0.153(5) Uani 1 1 d . U . . .
H35A H 0.0349 1.0702 0.1652 0.230 Uiso 1 1 calc R U . . .
H35B H -0.0689 1.0632 0.1073 0.230 Uiso 1 1 calc R U . . .
H35C H -0.1018 1.0522 0.1843 0.230 Uiso 1 1 calc R U . . .
C36 C 0.109(2) 0.9141(13) 0.1571(12) 0.153(5) Uani 1 1 d . U . . .
H36A H 0.1613 0.9603 0.1705 0.230 Uiso 1 1 calc R U . . .
H36B H 0.1104 0.8724 0.1927 0.230 Uiso 1 1 calc R U . . .
H36C H 0.1370 0.8896 0.1156 0.230 Uiso 1 1 calc R U . . .
C37 C -0.115(2) 0.8966(14) 0.1262(14) 0.153(5) Uani 1 1 d D . . . .
C38 C -0.0826(13) 0.8082(8) 0.1193(10) 0.106(7) Uani 1 1 d . . . . .
H38A H -0.0435 0.7871 0.1608 0.160 Uiso 1 1 d R U . . .
H38B H -0.0284 0.8006 0.0820 0.160 Uiso 1 1 d R U . . .
H38C H -0.1581 0.7780 0.1098 0.160 Uiso 1 1 d R U . . .
N1 N -0.016(2) 0.9440(12) 0.1457(11) 0.152(7) Uani 1 1 d D U . . .
O1 O -0.6371(6) 0.0142(4) 0.2681(4) 0.0485(18) Uani 1 1 d . . . . .
O2 O -0.5908(6) 0.0027(4) 0.1579(4) 0.0481(18) Uani 1 1 d . . . . .
O3 O -0.5775(7) 0.8253(4) 0.1751(4) 0.054(2) Uani 1 1 d . . . . .
O4 O -0.6727(7) 0.8303(4) 0.2721(4) 0.054(2) Uani 1 1 d . . . . .
O5 O -0.5148(8) 0.8754(4) 0.0376(4) 0.061(2) Uani 1 1 d . . . . .
O6 O -0.3771(6) 0.7933(4) 0.0848(4) 0.0523(19) Uani 1 1 d . . . . .
O7 O -0.2130(7) 0.9333(4) 0.1231(4) 0.057(2) Uani 1 1 d . . . . .
O1W O -0.3866(8) 1.0318(5) 0.0712(5) 0.075(3) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Er1 O4 2.269(7) 2_455 ?
Er1 O3 2.291(7) . ?
Er1 O2 2.296(6) 1_565 ?
Er1 O1 2.310(7) 2_465 ?
Er1 O7 2.356(7) . ?
Er1 O6 2.386(7) . ?
Er1 O1W 2.423(7) . ?
Er1 O5 2.454(8) . ?
Er1 C23 2.793(11) . ?
C1 O1 1.239(12) . ?
C1 O2 1.258(12) . ?
C1 C2 1.522(12) . ?
C2 C3 1.369(13) . ?
C2 C7 1.387(14) . ?
C3 C4 1.377(13) . ?
C3 H3A 0.9300 . ?
C4 C5 1.375(13) . ?
C4 H4A 0.9300 . ?
C5 C6 1.386(13) . ?
C5 C8 1.486(11) . ?
C6 C7 1.363(12) . ?
C6 H6A 0.9300 . ?
C7 H7A 0.9300 . ?
C8 C9 1.388(12) . ?
C8 C13 1.415(12) . ?
C9 C10 1.410(12) . ?
C9 H9A 0.9300 . ?
C10 C11 1.396(12) . ?
C10 C16 1.477(11) . ?
C11 C12 1.391(12) . ?
C11 C15 1.515(11) . ?
C12 C13 1.399(12) . ?
C12 H12A 0.9300 . ?
C13 C14 1.491(12) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 C17 1.381(14) . ?
C16 C21 1.398(13) . ?
C17 C18 1.375(12) . ?
C17 H17A 0.9300 . ?
C18 C19 1.403(12) . ?
C18 H18A 0.9300 . ?
C19 C20 1.375(13) . ?
C19 C22 1.493(12) . ?
C20 C21 1.386(12) . ?
C20 H20A 0.9300 . ?
C21 H21A 0.9300 . ?
C22 O3 1.230(11) . ?
C22 O4 1.246(11) . ?
C23 O6 1.240(12) . ?
C23 O5 1.261(12) . ?
C23 C24 1.477(14) . ?
C24 C25 1.370(14) . ?
C24 C29 1.404(13) . ?
C25 C26 1.408(14) . ?
C25 H25A 0.9300 . ?
C26 C27 1.377(14) . ?
C26 H26A 0.9300 . ?
C27 C28 1.402(14) . ?
C27 C31 1.480(14) . ?
C28 C29 1.395(13) . ?
C28 H28A 0.9300 . ?
C29 H29A 0.9300 . ?
C30 C31 1.393(12) 2_454 ?
C30 C31 1.393(12) . ?
C30 H30A 0.9300 . ?
C31 C32 1.401(12) . ?
C32 C33 1.387(12) . ?
C32 C34 1.503(14) . ?
C33 C32 1.387(12) 2_454 ?
C33 H33A 0.9300 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 N1 1.58(2) . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C36 N1 1.44(2) . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 O7 1.21(2) . ?
C37 N1 1.354(16) . ?
C37 C38 1.45(2) . ?
C38 H38A 0.9598 . ?
C38 H38B 0.9598 . ?
C38 H38C 0.9599 . ?
O1 Er1 2.310(7) 2_445 ?
O2 Er1 2.296(6) 1_545 ?
O4 Er1 2.269(7) 2_455 ?

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
_geom_angle_publ_flag
O4 Er1 O3 77.8(3) 2_455 . ?
O4 Er1 O2 130.6(3) 2_455 1_565 ?
O3 Er1 O2 76.5(2) . 1_565 ?
O4 Er1 O1 80.1(3) 2_455 2_465 ?
O3 Er1 O1 117.2(3) . 2_465 ?
O2 Er1 O1 75.4(2) 1_565 2_465 ?
O4 Er1 O7 78.6(3) 2_455 . ?
O3 Er1 O7 147.2(2) . . ?
O2 Er1 O7 136.3(2) 1_565 . ?
O1 Er1 O7 80.4(3) 2_465 . ?
O4 Er1 O6 76.6(3) 2_455 . ?
O3 Er1 O6 76.4(3) . . ?
O2 Er1 O6 134.9(2) 1_565 . ?
O1 Er1 O6 149.6(2) 2_465 . ?
O7 Er1 O6 76.1(3) . . ?
O4 Er1 O1W 143.4(3) 2_455 . ?
O3 Er1 O1W 138.6(3) . . ?
O2 Er1 O1W 75.0(3) 1_565 . ?
O1 Er1 O1W 83.4(3) 2_465 . ?
O7 Er1 O1W 66.5(3) . . ?
O6 Er1 O1W 104.2(3) . . ?
O4 Er1 O5 126.8(2) 2_455 . ?
O3 Er1 O5 75.4(3) . . ?
O2 Er1 O5 85.5(3) 1_565 . ?
O1 Er1 O5 153.0(2) 2_465 . ?
O7 Er1 O5 101.6(3) . . ?
O6 Er1 O5 53.0(2) . . ?
O1W Er1 O5 73.1(3) . . ?
O4 Er1 C23 101.2(3) 2_455 . ?
O3 Er1 C23 73.0(3) . . ?
O2 Er1 C23 110.4(3) 1_565 . ?
O1 Er1 C23 169.6(3) 2_465 . ?
O7 Er1 C23 89.7(3) . . ?
O6 Er1 C23 26.2(3) . . ?
O1W Er1 C23 89.7(3) . . ?
O5 Er1 C23 26.8(3) . . ?
O1 C1 O2 126.9(9) . . ?
O1 C1 C2 117.5(9) . . ?
O2 C1 C2 115.6(9) . . ?
C3 C2 C7 118.4(8) . . ?
C3 C2 C1 121.3(9) . . ?
C7 C2 C1 120.2(9) . . ?
C2 C3 C4 120.9(10) . . ?
C2 C3 H3A 119.5 . . ?
C4 C3 H3A 119.5 . . ?
C5 C4 C3 121.5(9) . . ?
C5 C4 H4A 119.2 . . ?
C3 C4 H4A 119.2 . . ?
C4 C5 C6 116.5(8) . . ?
C4 C5 C8 122.2(8) . . ?
C6 C5 C8 121.2(9) . . ?
C7 C6 C5 122.7(10) . . ?
C7 C6 H6A 118.6 . . ?
C5 C6 H6A 118.6 . . ?
C6 C7 C2 119.7(9) . . ?
C6 C7 H7A 120.2 . . ?
C2 C7 H7A 120.2 . . ?
C9 C8 C13 119.3(8) . . ?
C9 C8 C5 119.0(8) . . ?
C13 C8 C5 121.7(8) . . ?
C8 C9 C10 122.5(8) . . ?
C8 C9 H9A 118.7 . . ?
C10 C9 H9A 118.7 . . ?
C11 C10 C9 118.3(8) . . ?
C11 C10 C16 123.0(8) . . ?
C9 C10 C16 118.7(8) . . ?
C12 C11 C10 119.0(8) . . ?
C12 C11 C15 118.4(8) . . ?
C10 C11 C15 122.5(8) . . ?
C11 C12 C13 123.4(8) . . ?
C11 C12 H12A 118.3 . . ?
C13 C12 H12A 118.3 . . ?
C12 C13 C8 117.4(8) . . ?
C12 C13 C14 119.3(8) . . ?
C8 C13 C14 123.3(8) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C11 C15 H15A 109.5 . . ?
C11 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C11 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C21 116.7(9) . . ?
C17 C16 C10 121.3(9) . . ?
C21 C16 C10 122.0(9) . . ?
C18 C17 C16 122.6(9) . . ?
C18 C17 H17A 118.7 . . ?
C16 C17 H17A 118.7 . . ?
C17 C18 C19 119.6(9) . . ?
C17 C18 H18A 120.2 . . ?
C19 C18 H18A 120.2 . . ?
C20 C19 C18 119.0(8) . . ?
C20 C19 C22 120.8(8) . . ?
C18 C19 C22 120.2(9) . . ?
C19 C20 C21 120.2(9) . . ?
C19 C20 H20A 119.9 . . ?
C21 C20 H20A 119.9 . . ?
C20 C21 C16 121.7(10) . . ?
C20 C21 H21A 119.1 . . ?
C16 C21 H21A 119.1 . . ?
O3 C22 O4 124.6(9) . . ?
O3 C22 C19 118.1(9) . . ?
O4 C22 C19 117.3(8) . . ?
O6 C23 O5 119.4(10) . . ?
O6 C23 C24 120.1(9) . . ?
O5 C23 C24 120.4(10) . . ?
O6 C23 Er1 58.2(5) . . ?
O5 C23 Er1 61.4(6) . . ?
C24 C23 Er1 174.4(7) . . ?
C25 C24 C29 117.9(9) . . ?
C25 C24 C23 122.8(10) . . ?
C29 C24 C23 119.2(9) . . ?
C24 C25 C26 121.5(10) . . ?
C24 C25 H25A 119.3 . . ?
C26 C25 H25A 119.3 . . ?
C27 C26 C25 120.8(10) . . ?
C27 C26 H26A 119.6 . . ?
C25 C26 H26A 119.6 . . ?
C26 C27 C28 118.2(10) . . ?
C26 C27 C31 120.5(9) . . ?
C28 C27 C31 121.0(9) . . ?
C29 C28 C27 120.4(9) . . ?
C29 C28 H28A 119.8 . . ?
C27 C28 H28A 119.8 . . ?
C28 C29 C24 121.0(9) . . ?
C28 C29 H29A 119.5 . . ?
C24 C29 H29A 119.5 . . ?
C31 C30 C31 122.1(13) 2_454 . ?
C31 C30 H30A 118.9 2_454 . ?
C31 C30 H30A 118.9 . . ?
C30 C31 C32 119.2(10) . . ?
C30 C31 C27 115.9(9) . . ?
C32 C31 C27 125.0(9) . . ?
C33 C32 C31 117.7(10) . . ?
C33 C32 C34 120.2(9) . . ?
C31 C32 C34 122.0(10) . . ?
C32 C33 C32 124.1(13) 2_454 . ?
C32 C33 H33A 117.9 2_454 . ?
C32 C33 H33A 117.9 . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
N1 C35 H35A 109.5 . . ?
N1 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
N1 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
N1 C36 H36A 109.5 . . ?
N1 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
N1 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
O7 C37 N1 116(2) . . ?
O7 C37 C38 132(2) . . ?
N1 C37 C38 112(2) . . ?
C37 C38 H38A 111.0 . . ?
C37 C38 H38B 110.3 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 107.1 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 N1 C36 126(2) . . ?
C37 N1 C35 116(2) . . ?
C36 N1 C35 118.3(19) . . ?
C1 O1 Er1 150.1(7) . 2_445 ?
C1 O2 Er1 133.4(6) . 1_545 ?
C22 O3 Er1 150.6(7) . . ?
C22 O4 Er1 139.4(7) . 2_455 ?
C23 O5 Er1 91.8(7) . . ?
C23 O6 Er1 95.6(6) . . ?
C37 O7 Er1 141.6(13) . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 C1 C2 C3 11.0(14) . . . . ?
O2 C1 C2 C3 -170.1(9) . . . . ?
O1 C1 C2 C7 -172.5(9) . . . . ?
O2 C1 C2 C7 6.4(13) . . . . ?
C7 C2 C3 C4 3.4(15) . . . . ?
C1 C2 C3 C4 179.9(9) . . . . ?
C2 C3 C4 C5 -0.5(16) . . . . ?
C3 C4 C5 C6 -2.0(14) . . . . ?
C3 C4 C5 C8 -178.7(9) . . . . ?
C4 C5 C6 C7 1.8(14) . . . . ?
C8 C5 C6 C7 178.4(8) . . . . ?
C5 C6 C7 C2 1.1(15) . . . . ?
C3 C2 C7 C6 -3.6(14) . . . . ?
C1 C2 C7 C6 179.8(8) . . . . ?
C4 C5 C8 C9 62.3(12) . . . . ?
C6 C5 C8 C9 -114.2(10) . . . . ?
C4 C5 C8 C13 -118.8(11) . . . . ?
C6 C5 C8 C13 64.7(13) . . . . ?
C13 C8 C9 C10 -2.8(14) . . . . ?
C5 C8 C9 C10 176.0(9) . . . . ?
C8 C9 C10 C11 2.3(14) . . . . ?
C8 C9 C10 C16 -175.3(9) . . . . ?
C9 C10 C11 C12 0.5(14) . . . . ?
C16 C10 C11 C12 178.0(9) . . . . ?
C9 C10 C11 C15 178.9(9) . . . . ?
C16 C10 C11 C15 -3.6(15) . . . . ?
C10 C11 C12 C13 -2.9(15) . . . . ?
C15 C11 C12 C13 178.7(10) . . . . ?
C11 C12 C13 C8 2.4(15) . . . . ?
C11 C12 C13 C14 -177.3(10) . . . . ?
C9 C8 C13 C12 0.4(14) . . . . ?
C5 C8 C13 C12 -178.4(8) . . . . ?
C9 C8 C13 C14 -179.8(9) . . . . ?
C5 C8 C13 C14 1.4(15) . . . . ?
C11 C10 C16 C17 118.4(11) . . . . ?
C9 C10 C16 C17 -64.1(13) . . . . ?
C11 C10 C16 C21 -63.5(13) . . . . ?
C9 C10 C16 C21 114.0(11) . . . . ?
C21 C16 C17 C18 -0.3(15) . . . . ?
C10 C16 C17 C18 178.0(9) . . . . ?
C16 C17 C18 C19 -2.0(15) . . . . ?
C17 C18 C19 C20 2.1(14) . . . . ?
C17 C18 C19 C22 -177.8(8) . . . . ?
C18 C19 C20 C21 0.1(14) . . . . ?
C22 C19 C20 C21 180.0(8) . . . . ?
C19 C20 C21 C16 -2.5(15) . . . . ?
C17 C16 C21 C20 2.5(15) . . . . ?
C10 C16 C21 C20 -175.7(9) . . . . ?
C20 C19 C22 O3 -25.2(13) . . . . ?
C18 C19 C22 O3 154.6(9) . . . . ?
C20 C19 C22 O4 156.2(9) . . . . ?
C18 C19 C22 O4 -23.9(12) . . . . ?
O6 C23 C24 C25 178.8(10) . . . . ?
O5 C23 C24 C25 0.0(16) . . . . ?
O6 C23 C24 C29 -6.2(15) . . . . ?
O5 C23 C24 C29 175.0(9) . . . . ?
C29 C24 C25 C26 0.8(17) . . . . ?
C23 C24 C25 C26 175.9(10) . . . . ?
C24 C25 C26 C27 -3.1(19) . . . . ?
C25 C26 C27 C28 4.9(17) . . . . ?
C25 C26 C27 C31 -169.4(10) . . . . ?
C26 C27 C28 C29 -4.7(15) . . . . ?
C31 C27 C28 C29 169.6(9) . . . . ?
C27 C28 C29 C24 2.6(15) . . . . ?
C25 C24 C29 C28 -0.6(15) . . . . ?
C23 C24 C29 C28 -175.9(9) . . . . ?
C31 C30 C31 C32 -1.3(7) 2_454 . . . ?
C31 C30 C31 C27 177.4(10) 2_454 . . . ?
C26 C27 C31 C30 46.8(14) . . . . ?
C28 C27 C31 C30 -127.3(9) . . . . ?
C26 C27 C31 C32 -134.6(12) . . . . ?
C28 C27 C31 C32 51.2(15) . . . . ?
C30 C31 C32 C33 2.6(14) . . . . ?
C27 C31 C32 C33 -176.0(8) . . . . ?
C30 C31 C32 C34 -173.3(8) . . . . ?
C27 C31 C32 C34 8.1(17) . . . . ?
C31 C32 C33 C32 -1.3(7) . . . 2_454 ?
C34 C32 C33 C32 174.7(11) . . . 2_454 ?
O7 C37 N1 C36 176(2) . . . . ?
C38 C37 N1 C36 2(4) . . . . ?
O7 C37 N1 C35 -8(4) . . . . ?
C38 C37 N1 C35 177.1(18) . . . . ?
O2 C1 O1 Er1 -4(2) . . . 2_445 ?
C2 C1 O1 Er1 175.2(8) . . . 2_445 ?
O1 C1 O2 Er1 -26.5(15) . . . 1_545 ?
C2 C1 O2 Er1 154.6(6) . . . 1_545 ?
O4 C22 O3 Er1 4(2) . . . . ?
C19 C22 O3 Er1 -174.2(9) . . . . ?
O3 C22 O4 Er1 -19.3(16) . . . 2_455 ?
C19 C22 O4 Er1 159.1(7) . . . 2_455 ?
O6 C23 O5 Er1 -4.8(10) . . . . ?
C24 C23 O5 Er1 173.9(8) . . . . ?
O5 C23 O6 Er1 5.0(10) . . . . ?
C24 C23 O6 Er1 -173.8(8) . . . . ?
N1 C37 O7 Er1 -138.8(17) . . . . ?
C38 C37 O7 Er1 34(4) . . . . ?

_refine_diff_density_max         2.157
_refine_diff_density_min         -1.194
_refine_diff_density_rms         0.158

