# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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. 
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#######################################################################

data_chw_cd_erl13_2
_database_code_depnum_ccdc_archive 'CCDC 2266444'
loop_
_audit_author_name
_audit_author_address
'Cassandra L. Ward'
;Wayne State University, Department of Chemistry
United States of America
;
_audit_update_record             
;
2023-05-30 deposited with the CCDC.	2023-07-26 downloaded from the CCDC.
;
_audit_creation_date             2022-10-24
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H48 Er N3 O3'
_chemical_formula_sum            'C24 H48 Er N3 O3'
_chemical_formula_weight         593.91
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Er Er -0.2586 4.9576 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   9.8012(7)
_cell_length_b                   21.6980(15)
_cell_length_c                   14.4627(11)
_cell_angle_alpha                90
_cell_angle_beta                 108.316(3)
_cell_angle_gamma                90
_cell_volume                     2919.9(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9952
_cell_measurement_temperature    102.00
_cell_measurement_theta_max      30.53
_cell_measurement_theta_min      2.38
_shelx_estimated_absorpt_T_max   0.801
_shelx_estimated_absorpt_T_min   0.722
_exptl_absorpt_coefficient_mu    2.899
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6677
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0930 before and 0.0588 after correction.
The Ratio of minimum to maximum transmission is 0.8949.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            pink
_exptl_crystal_colour_primary    pink
_exptl_crystal_density_diffrn    1.351
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1220
_exptl_crystal_recrystallization_method sublimation
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0456
_diffrn_reflns_av_unetI/netI     0.0173
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            128020
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.541
_diffrn_reflns_theta_min         2.382
_diffrn_ambient_temperature      102.00
_diffrn_detector                 'Photon III'
_diffrn_detector_area_resol_mean ?
_diffrn_detector_type            'CPAD area detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'κ--geometry diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_collimation    '0.8 mm pinhole collimator'
_diffrn_radiation_monochromator  'multilayer mirror'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed tube'
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_target            Mo
_diffrn_source_type              'Incoatec I\mS'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8245
_reflns_number_total             8917
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.532
_refine_diff_density_min         -0.475
_refine_diff_density_rms         0.064
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     295
_refine_ls_number_reflns         8917
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0190
_refine_ls_R_factor_gt           0.0164
_refine_ls_restrained_S_all      1.033
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0114P)²+1.9313P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0358
_refine_ls_wR_factor_ref         0.0366
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C17(H17), C1(H1), C9(H9)
2.b Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C7(H7A,H7B,H7C), C23(H23A,H23B,H23C), C6(H6A,H6B,H6C),
 C5(H5A,H5B,H5C), C21(H21A,H21B,H21C), C4(H4A,H4B,H4C), C15(H15A,H15B,H15C),
 C16(H16A,H16B,H16C), C20(H20A,H20B,H20C), C22(H22A,H22B,H22C), C24(H24A,H24B,
 H24C), C12(H12A,H12B,H12C), C13(H13A,H13B,H13C), C14(H14A,H14B,H14C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.61642(2) 0.32240(2) 0.61608(2) 0.01337(2) Uani 1 1 d . . . . .
O3 O 0.55352(12) 0.22806(5) 0.58483(10) 0.0285(3) Uani 1 1 d . . . . .
O2 O 0.58434(11) 0.34901(5) 0.75160(8) 0.0220(2) Uani 1 1 d . . . . .
O1 O 0.62485(11) 0.35813(5) 0.47844(7) 0.0199(2) Uani 1 1 d . . . . .
N3 N 0.83393(12) 0.25679(5) 0.68612(9) 0.0188(2) Uani 1 1 d . . . . .
N1 N 0.76785(13) 0.42109(5) 0.64190(8) 0.0169(2) Uani 1 1 d . . . . .
N2 N 0.35473(12) 0.34558(6) 0.58232(9) 0.0182(2) Uani 1 1 d . . . . .
C18 C 0.64684(16) 0.18225(6) 0.61517(11) 0.0190(3) Uani 1 1 d . . . . .
C19 C 0.58369(16) 0.11783(6) 0.59448(10) 0.0180(3) Uani 1 1 d . . . . .
C17 C 0.78397(17) 0.19353(7) 0.66460(12) 0.0252(3) Uani 1 1 d . . . . .
H17 H 0.849387 0.160269 0.685875 0.030 Uiso 1 1 calc R U . . .
C2 C 0.72692(14) 0.39745(6) 0.47327(10) 0.0165(2) Uani 1 1 d . . . . .
C8 C 0.65836(17) 0.46784(7) 0.64425(11) 0.0227(3) Uani 1 1 d . . . . .
H8A H 0.574175 0.463417 0.586150 0.034 Uiso 1 1 calc R U . . .
H8B H 0.699039 0.509203 0.645490 0.034 Uiso 1 1 calc R U . . .
H8C H 0.629607 0.461747 0.702673 0.034 Uiso 1 1 calc R U . . .
C7 C 0.89374(17) 0.43017(7) 0.72884(11) 0.0243(3) Uani 1 1 d . . . . .
H7A H 0.866277 0.422928 0.787495 0.036 Uiso 1 1 calc R U . . .
H7B H 0.929127 0.472464 0.729564 0.036 Uiso 1 1 calc R U . . .
H7C H 0.969639 0.401151 0.727322 0.036 Uiso 1 1 calc R U . . .
C23 C 0.94660(17) 0.26849(8) 0.64035(13) 0.0270(3) Uani 1 1 d . . . . .
H23A H 0.906701 0.262384 0.569815 0.041 Uiso 1 1 calc R U . . .
H23B H 1.026702 0.239887 0.667096 0.041 Uiso 1 1 calc R U . . .
H23C H 0.981145 0.310966 0.653770 0.041 Uiso 1 1 calc R U . . .
C3 C 0.74976(15) 0.40236(6) 0.37438(10) 0.0167(2) Uani 1 1 d . . . . .
C10 C 0.45670(15) 0.36769(6) 0.75463(11) 0.0188(3) Uani 1 1 d . . . . .
C6 C 0.86374(16) 0.44995(7) 0.37240(11) 0.0219(3) Uani 1 1 d . . . . .
H6A H 0.834000 0.490718 0.388062 0.033 Uiso 1 1 calc R U . . .
H6B H 0.874683 0.450889 0.307349 0.033 Uiso 1 1 calc R U . . .
H6C H 0.955623 0.438751 0.420507 0.033 Uiso 1 1 calc R U . . .
C1 C 0.80518(15) 0.42847(6) 0.55287(10) 0.0172(3) Uani 1 1 d . . . . .
H1 H 0.882378 0.454378 0.550936 0.021 Uiso 1 1 calc R U . . .
C5 C 0.60651(17) 0.42114(8) 0.29976(12) 0.0278(3) Uani 1 1 d . . . . .
H5A H 0.530830 0.392796 0.303958 0.042 Uiso 1 1 calc R U . . .
H5B H 0.615117 0.419417 0.234111 0.042 Uiso 1 1 calc R U . . .
H5C H 0.582010 0.463204 0.313517 0.042 Uiso 1 1 calc R U . . .
C21 C 0.50188(18) 0.11225(7) 0.48617(11) 0.0244(3) Uani 1 1 d . . . . .
H21A H 0.424727 0.142978 0.468053 0.037 Uiso 1 1 calc R U . . .
H21B H 0.460448 0.070866 0.472316 0.037 Uiso 1 1 calc R U . . .
H21C H 0.567859 0.119330 0.448479 0.037 Uiso 1 1 calc R U . . .
C4 C 0.7950(2) 0.33879(7) 0.34790(13) 0.0284(3) Uani 1 1 d . . . . .
H4A H 0.889252 0.327943 0.393517 0.043 Uiso 1 1 calc R U . . .
H4B H 0.800785 0.339876 0.281488 0.043 Uiso 1 1 calc R U . . .
H4C H 0.724012 0.307947 0.351796 0.043 Uiso 1 1 calc R U . . .
C15 C 0.29881(18) 0.39202(9) 0.50479(13) 0.0323(4) Uani 1 1 d . . . . .
H15A H 0.347016 0.431531 0.525795 0.049 Uiso 1 1 calc R U . . .
H15B H 0.195110 0.396956 0.491947 0.049 Uiso 1 1 calc R U . . .
H15C H 0.317252 0.378340 0.445233 0.049 Uiso 1 1 calc R U . . .
C16 C 0.26828(17) 0.28890(8) 0.55299(14) 0.0296(4) Uani 1 1 d . . . . .
H16A H 0.278919 0.273235 0.492066 0.044 Uiso 1 1 calc R U . . .
H16B H 0.166914 0.298213 0.543360 0.044 Uiso 1 1 calc R U . . .
H16C H 0.301698 0.257670 0.604080 0.044 Uiso 1 1 calc R U . . .
C20 C 0.4786(2) 0.10904(8) 0.65242(14) 0.0337(4) Uani 1 1 d . . . . .
H20A H 0.530662 0.112032 0.722235 0.051 Uiso 1 1 calc R U . . .
H20B H 0.433287 0.068386 0.638002 0.051 Uiso 1 1 calc R U . . .
H20C H 0.404422 0.141079 0.634124 0.051 Uiso 1 1 calc R U . . .
C9 C 0.34199(16) 0.36829(7) 0.67401(12) 0.0235(3) Uani 1 1 d . . . . .
H9 H 0.252468 0.383531 0.676724 0.028 Uiso 1 1 calc R U . . .
C22 C 0.69922(19) 0.06757(7) 0.62277(12) 0.0283(3) Uani 1 1 d . . . . .
H22A H 0.768244 0.073960 0.587194 0.042 Uiso 1 1 calc R U . . .
H22B H 0.653940 0.027055 0.606257 0.042 Uiso 1 1 calc R U . . .
H22C H 0.749379 0.069565 0.692964 0.042 Uiso 1 1 calc R U . . .
C24 C 0.89349(18) 0.26539(8) 0.79275(11) 0.0266(3) Uani 1 1 d . . . . .
H24A H 0.934338 0.306870 0.806770 0.040 Uiso 1 1 calc R U . . .
H24B H 0.968845 0.234718 0.819926 0.040 Uiso 1 1 calc R U . . .
H24C H 0.816765 0.260279 0.822186 0.040 Uiso 1 1 calc R U . . .
C11 C 0.45261(17) 0.38652(7) 0.85512(11) 0.0239(3) Uani 1 1 d . . . . .
C12 C 0.5624(2) 0.43797(8) 0.89480(12) 0.0302(3) Uani 1 1 d . . . . .
H12A H 0.657449 0.424219 0.894484 0.045 Uiso 1 1 calc R U . . .
H12B H 0.565843 0.447952 0.961594 0.045 Uiso 1 1 calc R U . . .
H12C H 0.534018 0.474669 0.853732 0.045 Uiso 1 1 calc R U . . .
C13 C 0.4954(3) 0.33100(9) 0.92245(15) 0.0489(6) Uani 1 1 d . . . . .
H13A H 0.424906 0.297955 0.898822 0.073 Uiso 1 1 calc R U . . .
H13B H 0.498433 0.342841 0.988450 0.073 Uiso 1 1 calc R U . . .
H13C H 0.590556 0.316477 0.923412 0.073 Uiso 1 1 calc R U . . .
C14 C 0.3050(2) 0.41068(13) 0.85298(16) 0.0509(6) Uani 1 1 d . . . . .
H14A H 0.276393 0.444536 0.805981 0.076 Uiso 1 1 calc R U . . .
H14B H 0.309794 0.425629 0.917869 0.076 Uiso 1 1 calc R U . . .
H14C H 0.234197 0.377353 0.833706 0.076 Uiso 1 1 calc R U . . .


_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 O3 2.1447(10) . ?
Er1 O2 2.1589(10) . ?
Er1 O1 2.1618(10) . ?
Er1 N3 2.4980(12) . ?
Er1 N1 2.5649(11) . ?
Er1 N2 2.5066(12) . ?
O3 C18 1.3284(17) . ?
O2 C10 1.3288(17) . ?
O1 C2 1.3347(16) . ?
N3 C17 1.4578(18) . ?
N3 C23 1.477(2) . ?
N3 C24 1.479(2) . ?
N1 C8 1.4848(19) . ?
N1 C7 1.4721(18) . ?
N1 C1 1.4539(18) . ?
N2 C15 1.479(2) . ?
N2 C16 1.4780(19) . ?
N2 C9 1.4563(19) . ?
C18 C19 1.5199(19) . ?
C18 C17 1.332(2) . ?
C19 C21 1.524(2) . ?
C19 C20 1.531(2) . ?
C19 C22 1.532(2) . ?
C17 H17 0.9500 . ?
C2 C3 1.5194(19) . ?
C2 C1 1.3459(19) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C3 C6 1.5280(19) . ?
C3 C5 1.533(2) . ?
C3 C4 1.534(2) . ?
C10 C9 1.342(2) . ?
C10 C11 1.522(2) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C1 H1 0.9500 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C9 H9 0.9500 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C11 C12 1.531(2) . ?
C11 C13 1.523(2) . ?
C11 C14 1.530(2) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?

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
O3 Er1 O2 109.41(5) . . ?
O3 Er1 O1 103.88(4) . . ?
O3 Er1 N3 72.16(4) . . ?
O3 Er1 N1 160.45(4) . . ?
O3 Er1 N2 86.65(4) . . ?
O2 Er1 O1 143.00(4) . . ?
O2 Er1 N3 97.67(4) . . ?
O2 Er1 N1 83.52(4) . . ?
O2 Er1 N2 72.01(4) . . ?
O1 Er1 N3 107.64(4) . . ?
O1 Er1 N1 69.33(4) . . ?
O1 Er1 N2 94.68(4) . . ?
N3 Er1 N1 92.05(4) . . ?
N3 Er1 N2 152.12(4) . . ?
N2 Er1 N1 111.76(4) . . ?
C18 O3 Er1 121.47(9) . . ?
C10 O2 Er1 121.25(9) . . ?
C2 O1 Er1 121.80(9) . . ?
C17 N3 Er1 105.28(8) . . ?
C17 N3 C23 108.32(12) . . ?
C17 N3 C24 109.72(12) . . ?
C23 N3 Er1 112.54(9) . . ?
C23 N3 C24 109.87(12) . . ?
C24 N3 Er1 110.97(9) . . ?
C8 N1 Er1 100.63(8) . . ?
C7 N1 Er1 121.83(9) . . ?
C7 N1 C8 107.87(11) . . ?
C1 N1 Er1 104.97(8) . . ?
C1 N1 C8 109.26(11) . . ?
C1 N1 C7 111.40(12) . . ?
C15 N2 Er1 113.40(9) . . ?
C16 N2 Er1 110.38(9) . . ?
C16 N2 C15 107.87(13) . . ?
C9 N2 Er1 105.41(8) . . ?
C9 N2 C15 110.03(13) . . ?
C9 N2 C16 109.72(12) . . ?
O3 C18 C19 115.31(13) . . ?
O3 C18 C17 120.92(13) . . ?
C17 C18 C19 123.68(13) . . ?
C18 C19 C21 109.00(11) . . ?
C18 C19 C20 108.02(12) . . ?
C18 C19 C22 112.39(13) . . ?
C21 C19 C20 109.00(13) . . ?
C21 C19 C22 108.90(12) . . ?
C20 C19 C22 109.47(13) . . ?
N3 C17 H17 119.9 . . ?
C18 C17 N3 120.14(13) . . ?
C18 C17 H17 119.9 . . ?
O1 C2 C3 115.61(12) . . ?
O1 C2 C1 120.50(13) . . ?
C1 C2 C3 123.86(12) . . ?
N1 C8 H8A 109.5 . . ?
N1 C8 H8B 109.5 . . ?
N1 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N1 C7 H7A 109.5 . . ?
N1 C7 H7B 109.5 . . ?
N1 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N3 C23 H23A 109.5 . . ?
N3 C23 H23B 109.5 . . ?
N3 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C2 C3 C6 112.95(11) . . ?
C2 C3 C5 107.94(12) . . ?
C2 C3 C4 108.16(12) . . ?
C6 C3 C5 108.69(12) . . ?
C6 C3 C4 109.41(12) . . ?
C5 C3 C4 109.64(13) . . ?
O2 C10 C9 120.98(13) . . ?
O2 C10 C11 114.89(13) . . ?
C9 C10 C11 124.12(13) . . ?
C3 C6 H6A 109.5 . . ?
C3 C6 H6B 109.5 . . ?
C3 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
N1 C1 H1 121.0 . . ?
C2 C1 N1 117.90(12) . . ?
C2 C1 H1 121.0 . . ?
C3 C5 H5A 109.5 . . ?
C3 C5 H5B 109.5 . . ?
C3 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
N2 C15 H15A 109.5 . . ?
N2 C15 H15B 109.5 . . ?
N2 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N2 C16 H16A 109.5 . . ?
N2 C16 H16B 109.5 . . ?
N2 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N2 C9 H9 120.0 . . ?
C10 C9 N2 119.99(13) . . ?
C10 C9 H9 120.0 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N3 C24 H24A 109.5 . . ?
N3 C24 H24B 109.5 . . ?
N3 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C10 C11 C12 109.11(12) . . ?
C10 C11 C13 108.27(14) . . ?
C10 C11 C14 112.40(14) . . ?
C13 C11 C12 108.49(15) . . ?
C13 C11 C14 110.67(17) . . ?
C14 C11 C12 107.83(15) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?

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
Er1 O3 C18 C19 175.27(9) . . . . ?
Er1 O3 C18 C17 -1.4(2) . . . . ?
Er1 O2 C10 C9 2.67(19) . . . . ?
Er1 O2 C10 C11 -178.38(9) . . . . ?
Er1 O1 C2 C3 160.80(9) . . . . ?
Er1 O1 C2 C1 -17.27(18) . . . . ?
Er1 N3 C17 C18 1.14(18) . . . . ?
Er1 N1 C1 C2 18.21(15) . . . . ?
Er1 N2 C9 C10 -5.67(17) . . . . ?
O3 C18 C19 C21 53.82(17) . . . . ?
O3 C18 C19 C20 -64.49(17) . . . . ?
O3 C18 C19 C22 174.65(13) . . . . ?
O3 C18 C17 N3 -0.1(2) . . . . ?
O2 C10 C9 N2 2.9(2) . . . . ?
O2 C10 C11 C12 57.47(17) . . . . ?
O2 C10 C11 C13 -60.42(19) . . . . ?
O2 C10 C11 C14 177.03(16) . . . . ?
O1 C2 C3 C6 177.71(12) . . . . ?
O1 C2 C3 C5 57.52(16) . . . . ?
O1 C2 C3 C4 -61.04(16) . . . . ?
O1 C2 C1 N1 -4.4(2) . . . . ?
C19 C18 C17 N3 -176.43(13) . . . . ?
C17 C18 C19 C21 -129.65(16) . . . . ?
C17 C18 C19 C20 112.04(18) . . . . ?
C17 C18 C19 C22 -8.8(2) . . . . ?
C8 N1 C1 C2 -88.98(15) . . . . ?
C7 N1 C1 C2 151.94(13) . . . . ?
C23 N3 C17 C18 -119.46(17) . . . . ?
C3 C2 C1 N1 177.72(12) . . . . ?
C1 C2 C3 C6 -4.3(2) . . . . ?
C1 C2 C3 C5 -124.48(15) . . . . ?
C1 C2 C3 C4 116.96(16) . . . . ?
C15 N2 C9 C10 -128.29(16) . . . . ?
C16 N2 C9 C10 113.18(16) . . . . ?
C9 C10 C11 C12 -123.62(16) . . . . ?
C9 C10 C11 C13 118.49(19) . . . . ?
C9 C10 C11 C14 -4.1(2) . . . . ?
C24 N3 C17 C18 120.61(16) . . . . ?
C11 C10 C9 N2 -175.97(13) . . . . ?

_olex2_exptl_crystal_mounting_method 
'The crystal was mounted on a MicroMount (MiTeGen) with polyfluoroether oil (Fomblin YR-1800, Alfa Aesar)'
_olex2_submission_special_instructions 'No special instructions were received'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
