# Electronic Supplementary Material (ESI) for Green Chemistry.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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_l-znnd
_database_code_depnum_ccdc_archive 'CCDC 1841341'
_audit_update_record             
;
2018-05-12 deposited with the CCDC.
2018-10-15 downloaded from the CCDC.
;
_audit_creation_date             2018-05-12
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelxl_version_number           2013-2
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C102 H108 N18 Nd4 O42 Zn3, 6(C2 H3 N)'
_chemical_formula_sum            'C114 H126 N24 Nd4 O42 Zn3'
_chemical_formula_weight         3277.45
_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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Nd Nd -0.1943 3.0179 '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'
Zn Zn 0.2839 1.4301 '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      trigonal
_space_group_IT_number           167
_space_group_name_H-M_alt        'R -3 c'
_space_group_name_Hall           '-R 3 2"c'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'y, x, -z+1/2'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x-y+2/3, -y+1/3, -z+5/6'
'-x+2/3, -x+y+1/3, -z+5/6'
'y+2/3, x+1/3, -z+5/6'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'x-y+1/3, -y+2/3, -z+7/6'
'-x+1/3, -x+y+2/3, -z+7/6'
'y+1/3, x+2/3, -z+7/6'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+y, y, z-1/2'
'x, x-y, z-1/2'
'-y, -x, z-1/2'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+y+2/3, y+1/3, z-1/6'
'x+2/3, x-y+1/3, z-1/6'
'-y+2/3, -x+1/3, z-1/6'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'-x+y+1/3, y+2/3, z+1/6'
'x+1/3, x-y+2/3, z+1/6'
'-y+1/3, -x+2/3, z+1/6'

_cell_length_a                   17.8928(5)
_cell_length_b                   17.8928(5)
_cell_length_c                   69.099(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     19158.4(12)
_cell_formula_units_Z            6
_cell_measurement_reflns_used    3865
_cell_measurement_temperature    290.83(10)
_cell_measurement_theta_max      23.7250
_cell_measurement_theta_min      3.4900
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.243
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.82786
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.704
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             9864
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1139
_diffrn_reflns_av_unetI/netI     0.0838
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.963
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       82
_diffrn_reflns_limit_l_min       -90
_diffrn_reflns_number            43234
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.963
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.856
_diffrn_reflns_theta_min         3.491
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      290.83(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0733
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     -3.00  25.00   0.50   12.50    --  -17.15 -99.00  60.00   56
  2  ω     39.00  77.00   0.50   12.50    --   20.59  38.00 120.00   76
  3  ω    -47.00  20.00   0.50   12.50    --   20.59 -57.00 150.00  134
  4  ω    -16.00  54.00   0.50   12.50    --   20.59 -99.00-120.00  140
  5  ω    -22.00  41.00   0.50   12.50    --   20.59 -57.00 -90.00  126
  6  ω     -4.00  80.50   0.50   12.50    --   20.59  77.00  30.00  169
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0284225000
_diffrn_orient_matrix_UB_12      0.0077243000
_diffrn_orient_matrix_UB_13      0.0078708000
_diffrn_orient_matrix_UB_21      0.0146575000
_diffrn_orient_matrix_UB_22      0.0448168000
_diffrn_orient_matrix_UB_23      -0.0005814000
_diffrn_orient_matrix_UB_31      -0.0327569000
_diffrn_orient_matrix_UB_32      -0.0052644000
_diffrn_orient_matrix_UB_33      0.0065656000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2954
_reflns_number_total             5402
_reflns_odcompleteness_completeness 99.63
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.971
_refine_diff_density_min         -0.806
_refine_diff_density_rms         0.136
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     285
_refine_ls_number_reflns         5402
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.1179
_refine_ls_R_factor_gt           0.0489
_refine_ls_restrained_S_all      1.010
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0439P)²+75.9280P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0974
_refine_ls_wR_factor_ref         0.1245
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C19) \\sim Ueq, Uanis(N4) \\sim Ueq, Uanis(C20) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
3.a Rotating group:
 O6(H6A,H6B)
3.b Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C9(H9A,H9B)
3.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C17(H17), C2(H2), C5(H5), N2(H2A), C4(H4), C16(H16), C13(H13), C10(H10)
3.d Idealised Me refined as rotating group:
 C15(H15A,H15B,H15C), C20(H20A,H20B,H20C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_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
Nd1 Nd 0.3333 0.6667 0.01632(2) 0.02511(14) Uani 1 3 d S T P . .
Nd2 Nd 0.3333 0.6667 -0.03638(2) 0.02485(14) Uani 1 3 d S T P . .
Zn1 Zn 0.57915(5) 0.6667 -0.0833 0.0326(2) Uani 1 2 d S T P . .
O4 O 0.4248(2) 0.7515(2) -0.00913(5) 0.0283(8) Uani 1 1 d . . . . .
O1 O 0.1907(2) 0.5281(2) 0.02406(6) 0.0415(10) Uani 1 1 d . . . . .
C8 C 0.6328(4) 0.6903(4) -0.03290(8) 0.0361(14) Uani 1 1 d . . . . .
H8A H 0.6731 0.7233 -0.0227 0.043 Uiso 1 1 calc R . . . .
H8B H 0.6139 0.7268 -0.0390 0.043 Uiso 1 1 calc R . . . .
O5 O 0.4605(2) 0.6449(2) -0.03686(5) 0.0319(9) Uani 1 1 d . . . . .
N3 N 0.6176(3) 0.6128(3) -0.06325(6) 0.0309(11) Uani 1 1 d . . . . .
C1 C 0.4955(3) 0.8295(4) -0.01161(7) 0.0279(12) Uani 1 1 d . . . . .
C3 C 0.6487(4) 0.9238(4) -0.00851(8) 0.0367(14) Uani 1 1 d . . . . .
H3 H 0.7023 0.9326 -0.0046 0.044 Uiso 1 1 calc R . . . .
N1 N 0.5036(3) 0.7268(3) 0.03519(8) 0.0413(13) Uani 1 1 d . . . . .
C7 C 0.4778(3) 0.5960(4) -0.02762(8) 0.0283(13) Uani 1 1 d . . . . .
C9 C 0.6783(4) 0.6634(4) -0.04791(8) 0.0353(14) Uani 1 1 d . . . . .
H9A H 0.7270 0.7143 -0.0534 0.042 Uiso 1 1 calc R . . . .
H9B H 0.6998 0.6293 -0.0417 0.042 Uiso 1 1 calc R . . . .
C12 C 0.7230(4) 0.8624(4) -0.08905(8) 0.0327(13) Uani 1 1 d . . . . .
O3 O 0.5771(3) 0.7593(3) 0.04153(7) 0.0597(14) Uani 1 1 d . . . . .
C17 C 0.6606(4) 0.9121(4) -0.06496(10) 0.0514(18) Uani 1 1 d . . . . .
H17 H 0.6149 0.9028 -0.0570 0.062 Uiso 1 1 calc R . . . .
C2 C 0.5767(4) 0.8437(4) -0.00587(8) 0.0366(14) Uani 1 1 d . . . . .
H2 H 0.5821 0.7992 -0.0003 0.044 Uiso 1 1 calc R . . . .
O2 O 0.4543(3) 0.7567(3) 0.03944(7) 0.0605(14) Uani 1 1 d . . . . .
O7 O 0.5794(3) 0.7700(2) -0.07654(7) 0.0436(11) Uani 1 1 d . . . . .
C5 C 0.5639(4) 0.9779(3) -0.02231(8) 0.0330(14) Uani 1 1 d . . . . .
H5 H 0.5598 1.0234 -0.0277 0.040 Uiso 1 1 calc R . . . .
N2 N 0.5589(3) 0.6153(3) -0.02461(6) 0.0340(11) Uani 1 1 d . . . . .
H2A H 0.5680 0.5815 -0.0174 0.041 Uiso 1 1 calc R . . . .
C4 C 0.6436(4) 0.9911(4) -0.01671(8) 0.0360(14) Uani 1 1 d . . . . .
H4 H 0.6930 1.0445 -0.0185 0.043 Uiso 1 1 calc R . . . .
C18 C 0.6526(4) 0.8453(4) -0.07694(9) 0.0361(14) Uani 1 1 d . . . . .
C6 C 0.4894(4) 0.8978(3) -0.02008(8) 0.0291(13) Uani 1 1 d . . . . .
C16 C 0.7357(5) 0.9921(4) -0.06486(10) 0.065(2) Uani 1 1 d . . . . .
H16 H 0.7395 1.0348 -0.0566 0.078 Uiso 1 1 calc R . . . .
O6 O 0.2402(3) 0.6811(3) -0.06139(6) 0.0478(12) Uani 1 1 d . . . . .
H6A H 0.2210 0.6384 -0.0693 0.072 Uiso 1 1 d GR . . . .
H6B H 0.2700 0.7281 -0.0677 0.072 Uiso 1 1 d GR . . . .
C14 C 0.8049(5) 1.0101(4) -0.07670(11) 0.064(2) Uani 1 1 d . . . . .
C13 C 0.7973(4) 0.9450(4) -0.08845(9) 0.0499(18) Uani 1 1 d . . . . .
H13 H 0.8434 0.9558 -0.0964 0.060 Uiso 1 1 calc R . . . .
C15 C 0.8872(6) 1.0979(5) -0.07601(14) 0.100(4) Uani 1 1 d . . . . .
H15A H 0.8910 1.1300 -0.0875 0.151 Uiso 1 1 calc GR . . . .
H15B H 0.9364 1.0899 -0.0753 0.151 Uiso 1 1 calc GR . . . .
H15C H 0.8861 1.1290 -0.0648 0.151 Uiso 1 1 calc GR . . . .
C10 C 0.5895(4) 0.5314(4) -0.06413(8) 0.0349(14) Uani 1 1 d . . . . .
H10 H 0.6117 0.5090 -0.0551 0.042 Uiso 1 1 calc R . . . .
N4 N 0.8949(12) 1.0898(11) -0.0188(3) 0.256(9) Uani 1 1 d . U . . .
C20 C 0.8386(11) 0.9172(10) -0.0312(3) 0.199(7) Uani 1 1 d . U . . .
H20A H 0.8655 0.9189 -0.0433 0.299 Uiso 1 1 calc GR . . . .
H20B H 0.7770 0.8848 -0.0327 0.299 Uiso 1 1 calc GR . . . .
H20C H 0.8560 0.8901 -0.0216 0.299 Uiso 1 1 calc GR . . . .
C19 C 0.8685(12) 1.0179(16) -0.0242(3) 0.206(8) Uani 1 1 d . 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
Nd1 O4 2.364(4) . ?
Nd1 O4 2.364(3) 2_665 ?
Nd1 O4 2.364(3) 3_565 ?
Nd1 O1 2.573(4) 3_565 ?
Nd1 O1 2.573(4) . ?
Nd1 O1 2.573(4) 2_665 ?
Nd1 N1 2.976(5) 2_665 ?
Nd1 N1 2.976(5) 3_565 ?
Nd1 N1 2.976(5) . ?
Nd1 O2 2.520(4) 3_565 ?
Nd1 O2 2.519(4) . ?
Nd1 O2 2.520(4) 2_665 ?
Nd2 O4 2.458(4) 3_565 ?
Nd2 O4 2.458(4) . ?
Nd2 O4 2.458(4) 2_665 ?
Nd2 O5 2.494(4) . ?
Nd2 O5 2.494(3) 2_665 ?
Nd2 O5 2.494(3) 3_565 ?
Nd2 O6 2.502(4) . ?
Nd2 O6 2.501(4) 3_565 ?
Nd2 O6 2.501(4) 2_665 ?
Zn1 N3 1.998(5) 10_564 ?
Zn1 N3 1.998(5) . ?
Zn1 O7 1.905(4) 10_564 ?
Zn1 O7 1.905(4) . ?
O4 C1 1.346(6) . ?
O1 N1 1.257(6) 3_565 ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C9 1.537(8) . ?
C8 N2 1.450(7) . ?
O5 C7 1.239(6) . ?
N3 C9 1.463(7) . ?
N3 C10 1.284(7) . ?
C1 C2 1.402(7) . ?
C1 C6 1.408(7) . ?
C3 H3 0.9300 . ?
C3 C2 1.379(8) . ?
C3 C4 1.374(8) . ?
N1 O1 1.257(6) 2_665 ?
N1 O3 1.223(6) . ?
N1 O2 1.273(6) . ?
C7 N2 1.330(6) . ?
C7 C6 1.500(8) 3_565 ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C12 C18 1.413(8) . ?
C12 C13 1.410(8) . ?
C12 C10 1.440(8) 10_564 ?
C17 H17 0.9300 . ?
C17 C18 1.401(8) . ?
C17 C16 1.390(9) . ?
C2 H2 0.9300 . ?
O7 C18 1.330(7) . ?
C5 H5 0.9300 . ?
C5 C4 1.379(8) . ?
C5 C6 1.395(7) . ?
N2 H2A 0.8600 . ?
C4 H4 0.9300 . ?
C6 C7 1.500(8) 2_665 ?
C16 H16 0.9300 . ?
C16 C14 1.381(10) . ?
O6 H6A 0.8570 . ?
O6 H6B 0.8558 . ?
C14 C13 1.370(9) . ?
C14 C15 1.525(9) . ?
C13 H13 0.9300 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C10 C12 1.440(8) 10_564 ?
C10 H10 0.9300 . ?
N4 C19 1.19(2) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C20 C19 1.67(2) . ?

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 Nd1 O4 70.73(13) . 2_665 ?
O4 Nd1 O4 70.73(13) . 3_565 ?
O4 Nd1 O4 70.73(13) 2_665 3_565 ?
O4 Nd1 O1 81.41(13) . 3_565 ?
O4 Nd1 O1 78.78(13) 2_665 3_565 ?
O4 Nd1 O1 143.88(13) 3_565 3_565 ?
O4 Nd1 O1 143.88(13) . . ?
O4 Nd1 O1 81.41(13) 2_665 . ?
O4 Nd1 O1 78.78(13) 3_565 . ?
O4 Nd1 O1 143.88(13) 2_665 2_665 ?
O4 Nd1 O1 78.78(13) . 2_665 ?
O4 Nd1 O1 81.41(13) 3_565 2_665 ?
O4 Nd1 N1 105.31(14) . 2_665 ?
O4 Nd1 N1 80.75(13) 2_665 2_665 ?
O4 Nd1 N1 80.75(13) . . ?
O4 Nd1 N1 150.96(13) 3_565 2_665 ?
O4 Nd1 N1 80.75(13) 3_565 3_565 ?
O4 Nd1 N1 105.31(14) 2_665 3_565 ?
O4 Nd1 N1 150.97(13) 2_665 . ?
O4 Nd1 N1 105.32(14) 3_565 . ?
O4 Nd1 N1 150.96(13) . 3_565 ?
O4 Nd1 O2 87.93(15) 3_565 3_565 ?
O4 Nd1 O2 87.93(15) 2_665 2_665 ?
O4 Nd1 O2 143.85(14) . 3_565 ?
O4 Nd1 O2 130.09(13) 3_565 . ?
O4 Nd1 O2 143.85(14) 2_665 . ?
O4 Nd1 O2 87.92(15) . . ?
O4 Nd1 O2 130.10(13) 2_665 3_565 ?
O4 Nd1 O2 130.10(13) . 2_665 ?
O4 Nd1 O2 143.86(14) 3_565 2_665 ?
O1 Nd1 O1 115.80(7) 3_565 . ?
O1 Nd1 O1 115.80(7) . 2_665 ?
O1 Nd1 O1 115.80(7) 3_565 2_665 ?
O1 Nd1 N1 91.96(13) 3_565 . ?
O1 Nd1 N1 126.87(13) 2_665 2_665 ?
O1 Nd1 N1 24.85(12) 2_665 . ?
O1 Nd1 N1 126.87(13) . . ?
O1 Nd1 N1 24.85(12) . 3_565 ?
O1 Nd1 N1 91.96(13) 2_665 3_565 ?
O1 Nd1 N1 24.85(12) 3_565 2_665 ?
O1 Nd1 N1 126.87(13) 3_565 3_565 ?
O1 Nd1 N1 91.97(13) . 2_665 ?
N1 Nd1 N1 102.25(13) 2_665 3_565 ?
N1 Nd1 N1 102.24(13) 2_665 . ?
N1 Nd1 N1 102.24(13) 3_565 . ?
O2 Nd1 O1 49.78(13) 3_565 . ?
O2 Nd1 O1 69.19(14) . 3_565 ?
O2 Nd1 O1 69.19(14) 2_665 . ?
O2 Nd1 O1 127.27(16) 3_565 3_565 ?
O2 Nd1 O1 49.77(13) . 2_665 ?
O2 Nd1 O1 127.27(16) 2_665 2_665 ?
O2 Nd1 O1 69.19(14) 3_565 2_665 ?
O2 Nd1 O1 127.28(16) . . ?
O2 Nd1 O1 49.77(13) 2_665 3_565 ?
O2 Nd1 N1 77.18(14) . 2_665 ?
O2 Nd1 N1 25.07(14) . . ?
O2 Nd1 N1 25.07(14) 2_665 2_665 ?
O2 Nd1 N1 77.18(14) 2_665 3_565 ?
O2 Nd1 N1 25.07(14) 3_565 3_565 ?
O2 Nd1 N1 107.10(16) 2_665 . ?
O2 Nd1 N1 107.10(16) 3_565 2_665 ?
O2 Nd1 N1 107.11(16) . 3_565 ?
O2 Nd1 N1 77.18(14) 3_565 . ?
O2 Nd1 O2 84.07(18) 2_665 3_565 ?
O2 Nd1 O2 84.07(18) . 2_665 ?
O2 Nd1 O2 84.07(18) . 3_565 ?
O4 Nd2 Nd1 40.01(8) 2_665 . ?
O4 Nd2 Nd1 40.01(8) 3_565 . ?
O4 Nd2 Nd1 40.00(8) . . ?
O4 Nd2 O4 67.66(13) 2_665 . ?
O4 Nd2 O4 67.66(13) 2_665 3_565 ?
O4 Nd2 O4 67.66(13) 3_565 . ?
O4 Nd2 O5 130.64(12) 3_565 2_665 ?
O4 Nd2 O5 74.27(12) 3_565 3_565 ?
O4 Nd2 O5 130.64(12) . 3_565 ?
O4 Nd2 O5 69.52(12) 2_665 3_565 ?
O4 Nd2 O5 69.52(12) 3_565 . ?
O4 Nd2 O5 130.64(12) 2_665 . ?
O4 Nd2 O5 74.27(12) . . ?
O4 Nd2 O5 69.52(12) . 2_665 ?
O4 Nd2 O5 74.27(12) 2_665 2_665 ?
O4 Nd2 O6 137.51(12) 2_665 2_665 ?
O4 Nd2 O6 93.73(13) 3_565 2_665 ?
O4 Nd2 O6 137.51(12) 3_565 3_565 ?
O4 Nd2 O6 137.52(12) . . ?
O4 Nd2 O6 93.73(13) . 3_565 ?
O4 Nd2 O6 141.70(13) 2_665 3_565 ?
O4 Nd2 O6 141.70(13) . 2_665 ?
O4 Nd2 O6 141.70(13) 3_565 . ?
O4 Nd2 O6 93.73(13) 2_665 . ?
O5 Nd2 Nd1 90.76(9) . . ?
O5 Nd2 Nd1 90.75(9) 3_565 . ?
O5 Nd2 Nd1 90.75(9) 2_665 . ?
O5 Nd2 O5 119.983(4) 2_665 3_565 ?
O5 Nd2 O5 119.984(5) 3_565 . ?
O5 Nd2 O5 119.982(4) 2_665 . ?
O5 Nd2 O6 68.71(13) 2_665 . ?
O5 Nd2 O6 67.78(13) 3_565 . ?
O5 Nd2 O6 135.55(14) . . ?
O5 Nd2 O6 67.78(13) 2_665 3_565 ?
O5 Nd2 O6 135.56(14) 3_565 3_565 ?
O5 Nd2 O6 68.71(13) . 3_565 ?
O5 Nd2 O6 135.56(14) 2_665 2_665 ?
O5 Nd2 O6 68.71(13) 3_565 2_665 ?
O5 Nd2 O6 67.78(13) . 2_665 ?
O6 Nd2 Nd1 133.68(10) 3_565 . ?
O6 Nd2 Nd1 133.69(10) . . ?
O6 Nd2 Nd1 133.68(10) 2_665 . ?
O6 Nd2 O6 77.55(16) 3_565 2_665 ?
O6 Nd2 O6 77.55(16) 2_665 . ?
O6 Nd2 O6 77.55(16) 3_565 . ?
N3 Zn1 N3 108.3(2) . 10_564 ?
O7 Zn1 N3 117.55(19) 10_564 10_564 ?
O7 Zn1 N3 95.90(17) . 10_564 ?
O7 Zn1 N3 95.90(17) 10_564 . ?
O7 Zn1 N3 117.54(19) . . ?
O7 Zn1 O7 122.3(2) . 10_564 ?
Nd1 O4 Nd2 98.06(12) . . ?
C1 O4 Nd1 138.6(3) . . ?
C1 O4 Nd2 122.2(3) . . ?
N1 O1 Nd1 95.8(3) 3_565 . ?
H8A C8 H8B 108.0 . . ?
C9 C8 H8A 109.4 . . ?
C9 C8 H8B 109.4 . . ?
N2 C8 H8A 109.4 . . ?
N2 C8 H8B 109.4 . . ?
N2 C8 C9 111.0(5) . . ?
C7 O5 Nd2 132.2(3) . . ?
C9 N3 Zn1 122.3(4) . . ?
C10 N3 Zn1 118.7(4) . . ?
C10 N3 C9 119.0(5) . . ?
O4 C1 C2 120.3(5) . . ?
O4 C1 C6 120.8(5) . . ?
C2 C1 C6 119.0(5) . . ?
C2 C3 H3 119.0 . . ?
C4 C3 H3 119.0 . . ?
C4 C3 C2 121.9(6) . . ?
O1 N1 Nd1 59.3(3) 2_665 . ?
O1 N1 O2 115.8(5) 2_665 . ?
O3 N1 Nd1 172.7(4) . . ?
O3 N1 O1 122.6(5) . 2_665 ?
O3 N1 O2 121.6(5) . . ?
O2 N1 Nd1 57.0(3) . . ?
O5 C7 N2 121.5(5) . . ?
O5 C7 C6 121.8(5) . 3_565 ?
N2 C7 C6 116.7(5) . 3_565 ?
C8 C9 H9A 109.7 . . ?
C8 C9 H9B 109.7 . . ?
N3 C9 C8 109.7(4) . . ?
N3 C9 H9A 109.7 . . ?
N3 C9 H9B 109.7 . . ?
H9A C9 H9B 108.2 . . ?
C18 C12 C10 125.0(5) . 10_564 ?
C13 C12 C18 118.7(5) . . ?
C13 C12 C10 116.3(5) . 10_564 ?
C18 C17 H17 119.5 . . ?
C16 C17 H17 119.5 . . ?
C16 C17 C18 120.9(6) . . ?
C1 C2 H2 120.2 . . ?
C3 C2 C1 119.7(6) . . ?
C3 C2 H2 120.2 . . ?
N1 O2 Nd1 98.0(3) . . ?
C18 O7 Zn1 120.2(4) . . ?
C4 C5 H5 119.3 . . ?
C4 C5 C6 121.4(5) . . ?
C6 C5 H5 119.3 . . ?
C8 N2 H2A 118.3 . . ?
C7 N2 C8 123.4(5) . . ?
C7 N2 H2A 118.3 . . ?
C3 C4 C5 118.8(5) . . ?
C3 C4 H4 120.6 . . ?
C5 C4 H4 120.6 . . ?
C17 C18 C12 117.8(5) . . ?
O7 C18 C12 123.5(5) . . ?
O7 C18 C17 118.8(5) . . ?
C1 C6 C7 119.5(5) . 2_665 ?
C5 C6 C1 119.2(5) . . ?
C5 C6 C7 121.2(5) . 2_665 ?
C17 C16 H16 119.0 . . ?
C14 C16 C17 122.1(7) . . ?
C14 C16 H16 119.0 . . ?
Nd2 O6 H6A 109.8 . . ?
Nd2 O6 H6B 109.4 . . ?
H6A O6 H6B 109.3 . . ?
C16 C14 C15 120.9(7) . . ?
C13 C14 C16 117.1(6) . . ?
C13 C14 C15 121.9(7) . . ?
C12 C13 H13 118.3 . . ?
C14 C13 C12 123.4(6) . . ?
C14 C13 H13 118.3 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N3 C10 C12 126.9(5) . 10_564 ?
N3 C10 H10 116.6 . . ?
C12 C10 H10 116.6 10_564 . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
N4 C19 C20 176(2) . . ?

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
Nd1 O4 C1 C2 74.8(7) . . . . ?
Nd1 O4 C1 C6 -105.7(5) . . . . ?
Nd2 O4 C1 C2 -120.4(5) . . . . ?
Nd2 O4 C1 C6 59.2(6) . . . . ?
Nd2 O5 C7 N2 -154.4(4) . . . . ?
Nd2 O5 C7 C6 28.4(7) . . . 3_565 ?
Zn1 N3 C9 C8 73.5(5) . . . . ?
Zn1 N3 C10 C12 -4.4(8) . . . 10_564 ?
Zn1 O7 C18 C12 26.8(8) . . . . ?
Zn1 O7 C18 C17 -154.0(5) . . . . ?
O4 C1 C2 C3 179.9(5) . . . . ?
O4 C1 C6 C7 -4.1(7) . . . 2_665 ?
O4 C1 C6 C5 179.6(5) . . . . ?
O1 N1 O2 Nd1 -8.0(6) 2_665 . . . ?
O5 C7 N2 C8 -4.7(8) . . . . ?
C9 C8 N2 C7 -112.4(6) . . . . ?
C9 N3 C10 C12 177.3(5) . . . 10_564 ?
O3 N1 O2 Nd1 171.5(5) . . . . ?
C17 C16 C14 C13 -1.1(12) . . . . ?
C17 C16 C14 C15 -178.9(8) . . . . ?
C2 C1 C6 C7 175.5(5) . . . 2_665 ?
C2 C1 C6 C5 -0.8(8) . . . . ?
C2 C3 C4 C5 0.5(9) . . . . ?
N2 C8 C9 N3 58.6(6) . . . . ?
C4 C3 C2 C1 -0.2(9) . . . . ?
C4 C5 C6 C1 1.2(8) . . . . ?
C4 C5 C6 C7 -175.1(5) . . . 2_665 ?
C18 C12 C13 C14 -0.1(10) . . . . ?
C18 C17 C16 C14 1.2(12) . . . . ?
C6 C1 C2 C3 0.3(8) . . . . ?
C6 C7 N2 C8 172.6(5) 3_565 . . . ?
C6 C5 C4 C3 -1.0(8) . . . . ?
C16 C17 C18 C12 -0.7(10) . . . . ?
C16 C17 C18 O7 -180.0(6) . . . . ?
C16 C14 C13 C12 0.5(12) . . . . ?
C13 C12 C18 C17 0.2(9) . . . . ?
C13 C12 C18 O7 179.4(6) . . . . ?
C15 C14 C13 C12 178.3(8) . . . . ?
C10 N3 C9 C8 -108.2(6) . . . . ?
C10 C12 C18 C17 -178.5(6) 10_564 . . . ?
C10 C12 C18 O7 0.7(10) 10_564 . . . ?
C10 C12 C13 C14 178.7(7) 10_564 . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.238
_oxdiff_exptl_absorpt_empirical_full_min 0.832
####################################################################### 
# 
# 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_l-zneu
_database_code_depnum_ccdc_archive 'CCDC 1841342'
_audit_update_record             
;
2018-05-12 deposited with the CCDC.
2018-10-15 downloaded from the CCDC.
;
_audit_creation_date             2018-05-12
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelxl_version_number           2013-2
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C102 H108 Eu4 N18 O42 Zn3, 6(C2 H3 N)'
_chemical_formula_sum            'C114 H126 Eu4 N24 O42 Zn3'
_chemical_formula_weight         3308.33
_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'
Eu Eu -0.1578 3.6682 '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'
Zn Zn 0.2839 1.4301 '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      trigonal
_space_group_IT_number           167
_space_group_name_H-M_alt        'R -3 c'
_space_group_name_Hall           '-R 3 2"c'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'y, x, -z+1/2'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x-y+2/3, -y+1/3, -z+5/6'
'-x+2/3, -x+y+1/3, -z+5/6'
'y+2/3, x+1/3, -z+5/6'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'x-y+1/3, -y+2/3, -z+7/6'
'-x+1/3, -x+y+2/3, -z+7/6'
'y+1/3, x+2/3, -z+7/6'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+y, y, z-1/2'
'x, x-y, z-1/2'
'-y, -x, z-1/2'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+y+2/3, y+1/3, z-1/6'
'x+2/3, x-y+1/3, z-1/6'
'-y+2/3, -x+1/3, z-1/6'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'-x+y+1/3, y+2/3, z+1/6'
'x+1/3, x-y+2/3, z+1/6'
'-y+1/3, -x+2/3, z+1/6'

_cell_length_a                   17.8497(5)
_cell_length_b                   17.8497(5)
_cell_length_c                   68.762(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     18973.1(12)
_cell_formula_units_Z            6
_cell_measurement_reflns_used    10511
_cell_measurement_temperature    290.83(10)
_cell_measurement_theta_max      24.7600
_cell_measurement_theta_min      3.4970
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.606
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.91804
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.737
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             9936
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1035
_diffrn_reflns_av_unetI/netI     0.0570
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       84
_diffrn_reflns_limit_l_min       -51
_diffrn_reflns_number            42103
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.214
_diffrn_reflns_theta_max         25.993
_diffrn_reflns_theta_min         3.496
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      290.83(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0733
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   -1.00   87.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -       20.4291   57.0000   90.0000 88

#__ type_ start__ end____ width___ exp.time_
  2 omega   61.00   91.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -       20.4291   77.0000    0.0000 30

#__ type_ start__ end____ width___ exp.time_
  3 omega   39.00   83.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -       20.4291  178.0000 -120.0000 44

#__ type_ start__ end____ width___ exp.time_
  4 omega   -3.00   93.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -       20.4291   38.0000    0.0000 96

#__ type_ start__ end____ width___ exp.time_
  5 omega  -18.00    9.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.1479  -99.0000  -30.0000 27

#__ type_ start__ end____ width___ exp.time_
  6 omega  -40.00   35.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -       20.4291  -57.0000 -150.0000 75

#__ type_ start__ end____ width___ exp.time_
  7 omega  -20.00    8.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.1479  -99.0000  120.0000 28
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0166591000
_diffrn_orient_matrix_UB_12      0.0011375000
_diffrn_orient_matrix_UB_13      -0.0092940000
_diffrn_orient_matrix_UB_21      0.0082059000
_diffrn_orient_matrix_UB_22      0.0425139000
_diffrn_orient_matrix_UB_23      0.0018980000
_diffrn_orient_matrix_UB_31      0.0419540000
_diffrn_orient_matrix_UB_32      0.0172320000
_diffrn_orient_matrix_UB_33      -0.0040564000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.710
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2609
_reflns_number_total             4145
_reflns_odcompleteness_completeness 99.64
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.800
_refine_diff_density_min         -0.991
_refine_diff_density_rms         0.134
_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     285
_refine_ls_number_reflns         4145
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0825
_refine_ls_R_factor_gt           0.0420
_refine_ls_restrained_S_all      1.034
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0261P)²+230.4551P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0829
_refine_ls_wR_factor_ref         0.1021
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C18) \\sim Ueq, Uanis(N4) \\sim Ueq, Uanis(C19) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
3.a Rotating group:
 O5(H5A,H5B)
3.b Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C9(H9A,H9B)
3.c Aromatic/amide H refined with riding coordinates:
 N2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C14(H14), C17(H17), C13(H13), C10(H10)
3.d Idealised Me refined as rotating group:
 C16(H16A,H16B,H16C), C19(H19A,H19B,H19C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_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
Eu1 Eu 0.6667 0.3333 0.48446(2) 0.02109(14) Uani 1 3 d S T P . .
Eu2 Eu 0.6667 0.3333 0.53634(2) 0.02173(14) Uani 1 3 d S T P . .
Zn1 Zn 0.6667 0.57893(6) 0.5833 0.0321(3) Uani 1 2 d S T P . .
O1 O 0.6972(3) 0.2471(3) 0.46088(7) 0.0471(13) Uani 1 1 d . . . . .
O5 O 0.5609(3) 0.3190(3) 0.56105(7) 0.0426(12) Uani 1 1 d . . . . .
H5A H 0.5680 0.3688 0.5636 0.064 Uiso 1 1 d GR . . . .
H5B H 0.5685 0.2970 0.5713 0.064 Uiso 1 1 d GR . . . .
O2 O 0.8088(3) 0.3383(3) 0.47704(7) 0.0362(11) Uani 1 1 d . . . . .
O4 O 0.6460(3) 0.4603(3) 0.53693(6) 0.0316(10) Uani 1 1 d . . . . .
O6 O 0.5628(3) 0.4749(3) 0.58997(8) 0.0445(13) Uani 1 1 d . . . . .
C8 C 0.6911(4) 0.6331(4) 0.53282(10) 0.0359(16) Uani 1 1 d . . . . .
H8A H 0.7242 0.6732 0.5225 0.043 Uiso 1 1 calc R . . . .
H8B H 0.7278 0.6146 0.5391 0.043 Uiso 1 1 calc R . . . .
N2 N 0.6156(3) 0.5583(3) 0.52456(8) 0.0329(13) Uani 1 1 d . . . . .
H2 H 0.5814 0.5673 0.5174 0.039 Uiso 1 1 calc R . . . .
C9 C 0.6638(4) 0.6786(4) 0.54765(10) 0.0375(17) Uani 1 1 d . . . . .
H9A H 0.7147 0.7279 0.5531 0.045 Uiso 1 1 calc R . . . .
H9B H 0.6293 0.6995 0.5413 0.045 Uiso 1 1 calc R . . . .
C16 C 0.2351(5) 0.4567(7) 0.59069(14) 0.085(3) Uani 1 1 d . . . . .
H16A H 0.2079 0.4381 0.5782 0.127 Uiso 1 1 calc GR . . . .
H16B H 0.2428 0.5126 0.5937 0.127 Uiso 1 1 calc GR . . . .
H16C H 0.1993 0.4160 0.6004 0.127 Uiso 1 1 calc GR . . . .
O7 O 0.8171(3) 0.2442(3) 0.45844(8) 0.0529(14) Uani 1 1 d . . . . .
C3 C 0.4368(4) 0.4138(4) 0.52219(9) 0.0303(15) Uani 1 1 d . . . . .
H3 H 0.4410 0.4640 0.5273 0.036 Uiso 1 1 calc R . . . .
C4 C 0.3568(4) 0.3466(4) 0.51663(9) 0.0316(15) Uani 1 1 d . . . . .
H4 H 0.3072 0.3506 0.5185 0.038 Uiso 1 1 calc R . . . .
N1 N 0.7764(4) 0.2762(4) 0.46512(8) 0.0366(14) Uani 1 1 d . . . . .
C5 C 0.3510(4) 0.2733(4) 0.50830(10) 0.0357(16) Uani 1 1 d . . . . .
H5 H 0.2974 0.2281 0.5044 0.043 Uiso 1 1 calc R . . . .
N3 N 0.6132(3) 0.6183(3) 0.56329(8) 0.0306(12) Uani 1 1 d . . . . .
C7 C 0.5964(4) 0.4773(4) 0.52747(9) 0.0274(14) Uani 1 1 d . . . . .
C11 C 0.4704(4) 0.5272(4) 0.57759(9) 0.0326(14) Uani 1 1 d . . . . .
C6 C 0.4241(4) 0.2667(4) 0.50565(10) 0.0322(16) Uani 1 1 d . . . . .
H6 H 0.4193 0.2176 0.4997 0.039 Uiso 1 1 calc R . . . .
C2 C 0.5117(4) 0.4076(4) 0.52024(9) 0.0260(14) Uani 1 1 d . . . . .
C15 C 0.3224(5) 0.4617(6) 0.59029(12) 0.059(2) Uani 1 1 d . . . . .
C14 C 0.3400(5) 0.4084(6) 0.60173(12) 0.060(2) Uani 1 1 d . . . . .
H14 H 0.2966 0.3678 0.6097 0.071 Uiso 1 1 calc R . . . .
C12 C 0.4871(4) 0.4727(4) 0.58964(10) 0.0343(16) Uani 1 1 d . . . . .
C17 C 0.3877(5) 0.5197(5) 0.57838(11) 0.049(2) Uani 1 1 d . . . . .
H17 H 0.3770 0.5556 0.5705 0.059 Uiso 1 1 calc R . . . .
C13 C 0.4195(4) 0.4137(5) 0.60171(11) 0.047(2) Uani 1 1 d . . . . .
H13 H 0.4288 0.3775 0.6098 0.057 Uiso 1 1 calc R . . . .
C1 C 0.5049(4) 0.3322(4) 0.51172(8) 0.0222(13) Uani 1 1 d . . . . .
O3 O 0.5752(2) 0.3253(2) 0.50955(6) 0.0264(10) Uani 1 1 d . . . . .
C10 C 0.5320(4) 0.5903(4) 0.56406(10) 0.0345(16) Uani 1 1 d . . . . .
H10 H 0.5100 0.6128 0.5550 0.041 Uiso 1 1 calc R . . . .
N4 N 0.1110(11) 0.1942(11) 0.5185(3) 0.207(7) Uani 1 1 d . U . . .
C18 C 0.1350(10) 0.1487(11) 0.5245(2) 0.133(5) Uani 1 1 d . U . . .
C19 C 0.1661(10) 0.0857(9) 0.5321(2) 0.153(6) Uani 1 1 d . U . . .
H19A H 0.1486 0.0387 0.5232 0.230 Uiso 1 1 calc GR . . . .
H19B H 0.1406 0.0634 0.5446 0.230 Uiso 1 1 calc GR . . . .
H19C H 0.2280 0.1166 0.5333 0.230 Uiso 1 1 calc GR . . . .


_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
Eu1 O1 2.477(4) . ?
Eu1 O1 2.477(5) 2_655 ?
Eu1 O1 2.477(5) 3_665 ?
Eu1 O2 2.545(4) 2_655 ?
Eu1 O2 2.545(4) . ?
Eu1 O2 2.545(4) 3_665 ?
Eu1 N1 2.940(6) 3_665 ?
Eu1 N1 2.940(6) 2_655 ?
Eu1 N1 2.940(6) . ?
Eu1 O3 2.330(4) 3_665 ?
Eu1 O3 2.330(4) . ?
Eu1 O3 2.330(4) 2_655 ?
Eu2 O5 2.457(4) . ?
Eu2 O5 2.457(4) 3_665 ?
Eu2 O5 2.457(4) 2_655 ?
Eu2 O4 2.472(4) 3_665 ?
Eu2 O4 2.472(4) 2_655 ?
Eu2 O4 2.472(4) . ?
Eu2 O3 2.418(4) 3_665 ?
Eu2 O3 2.418(4) . ?
Eu2 O3 2.418(4) 2_655 ?
Zn1 O6 1.910(4) 17_655 ?
Zn1 O6 1.910(4) . ?
Zn1 N3 1.993(5) 17_655 ?
Zn1 N3 1.994(5) . ?
O1 N1 1.273(7) . ?
O5 H5A 0.8506 . ?
O5 H5B 0.8512 . ?
O2 N1 1.263(7) . ?
O4 C7 1.252(7) . ?
O6 C12 1.332(7) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 N2 1.456(8) . ?
C8 C9 1.527(9) . ?
N2 H2 0.8600 . ?
N2 C7 1.325(7) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 N3 1.469(8) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C16 C15 1.515(10) . ?
O7 N1 1.217(7) . ?
C3 H3 0.9300 . ?
C3 C4 1.383(9) . ?
C3 C2 1.402(8) . ?
C4 H4 0.9300 . ?
C4 C5 1.384(9) . ?
C5 H5 0.9300 . ?
C5 C6 1.379(8) . ?
N3 C10 1.276(8) . ?
C7 C2 1.484(8) . ?
C11 C12 1.418(8) . ?
C11 C17 1.415(9) . ?
C11 C10 1.451(9) . ?
C6 H6 0.9300 . ?
C6 C1 1.392(8) . ?
C2 C1 1.416(8) . ?
C15 C14 1.386(11) . ?
C15 C17 1.377(10) . ?
C14 H14 0.9300 . ?
C14 C13 1.374(10) . ?
C12 C13 1.409(9) . ?
C17 H17 0.9300 . ?
C13 H13 0.9300 . ?
C1 O3 1.329(6) . ?
C10 H10 0.9300 . ?
N4 C18 1.166(18) . ?
C18 C19 1.573(19) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?

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
O1 Eu1 O1 81.77(19) . 2_655 ?
O1 Eu1 O1 81.77(19) . 3_665 ?
O1 Eu1 O1 81.77(19) 2_655 3_665 ?
O1 Eu1 O2 126.21(17) 2_655 3_665 ?
O1 Eu1 O2 126.21(17) . 2_655 ?
O1 Eu1 O2 50.62(14) 2_655 2_655 ?
O1 Eu1 O2 50.61(14) . . ?
O1 Eu1 O2 69.52(15) . 3_665 ?
O1 Eu1 O2 126.21(17) 3_665 . ?
O1 Eu1 O2 69.52(15) 3_665 2_655 ?
O1 Eu1 O2 50.62(14) 3_665 3_665 ?
O1 Eu1 O2 69.52(15) 2_655 . ?
O1 Eu1 N1 75.75(15) 2_655 . ?
O1 Eu1 N1 75.75(15) . 3_665 ?
O1 Eu1 N1 105.10(17) 2_655 3_665 ?
O1 Eu1 N1 25.38(15) 3_665 3_665 ?
O1 Eu1 N1 75.75(15) 3_665 2_655 ?
O1 Eu1 N1 25.38(15) 2_655 2_655 ?
O1 Eu1 N1 25.38(15) . . ?
O1 Eu1 N1 105.11(17) . 2_655 ?
O1 Eu1 N1 105.10(17) 3_665 . ?
O2 Eu1 O2 116.09(7) . 3_665 ?
O2 Eu1 O2 116.09(7) 3_665 2_655 ?
O2 Eu1 O2 116.09(7) . 2_655 ?
O2 Eu1 N1 92.24(14) . 2_655 ?
O2 Eu1 N1 126.34(14) 2_655 . ?
O2 Eu1 N1 126.34(14) . 3_665 ?
O2 Eu1 N1 25.34(14) 2_655 2_655 ?
O2 Eu1 N1 25.34(14) 3_665 3_665 ?
O2 Eu1 N1 25.33(14) . . ?
O2 Eu1 N1 92.25(14) 3_665 . ?
O2 Eu1 N1 92.25(14) 2_655 3_665 ?
O2 Eu1 N1 126.34(14) 3_665 2_655 ?
N1 Eu1 N1 101.12(14) . 2_655 ?
N1 Eu1 N1 101.12(14) . 3_665 ?
N1 Eu1 N1 101.11(14) 3_665 2_655 ?
O3 Eu1 O1 89.11(16) . 3_665 ?
O3 Eu1 O1 144.24(15) . . ?
O3 Eu1 O1 131.18(15) 2_655 3_665 ?
O3 Eu1 O1 89.11(16) 2_655 . ?
O3 Eu1 O1 131.18(14) 3_665 . ?
O3 Eu1 O1 144.24(15) 2_655 2_655 ?
O3 Eu1 O1 131.18(14) . 2_655 ?
O3 Eu1 O1 89.11(16) 3_665 2_655 ?
O3 Eu1 O1 144.24(14) 3_665 3_665 ?
O3 Eu1 O2 77.97(14) 2_655 . ?
O3 Eu1 O2 81.22(14) 3_665 . ?
O3 Eu1 O2 81.22(14) . 2_655 ?
O3 Eu1 O2 77.97(14) 3_665 2_655 ?
O3 Eu1 O2 143.72(15) 2_655 2_655 ?
O3 Eu1 O2 81.22(14) 2_655 3_665 ?
O3 Eu1 O2 143.72(15) 3_665 3_665 ?
O3 Eu1 O2 143.73(15) . . ?
O3 Eu1 O2 77.97(14) . 3_665 ?
O3 Eu1 N1 81.29(14) 2_655 . ?
O3 Eu1 N1 105.96(15) 3_665 . ?
O3 Eu1 N1 81.29(15) . 3_665 ?
O3 Eu1 N1 151.83(14) 3_665 3_665 ?
O3 Eu1 N1 105.96(15) 2_655 3_665 ?
O3 Eu1 N1 151.83(15) 2_655 2_655 ?
O3 Eu1 N1 81.29(15) 3_665 2_655 ?
O3 Eu1 N1 151.83(14) . . ?
O3 Eu1 N1 105.96(15) . 2_655 ?
O3 Eu1 O3 71.20(15) . 3_665 ?
O3 Eu1 O3 71.21(15) 2_655 . ?
O3 Eu1 O3 71.20(15) 2_655 3_665 ?
O5 Eu2 Eu1 133.76(12) 2_655 . ?
O5 Eu2 Eu1 133.76(12) 3_665 . ?
O5 Eu2 Eu1 133.76(12) . . ?
O5 Eu2 O5 77.44(18) 2_655 3_665 ?
O5 Eu2 O5 77.44(18) 2_655 . ?
O5 Eu2 O5 77.44(18) . 3_665 ?
O5 Eu2 O4 67.96(15) . . ?
O5 Eu2 O4 67.96(15) 2_655 2_655 ?
O5 Eu2 O4 135.31(16) 3_665 2_655 ?
O5 Eu2 O4 68.31(14) 3_665 . ?
O5 Eu2 O4 68.31(14) 2_655 3_665 ?
O5 Eu2 O4 67.96(15) 3_665 3_665 ?
O5 Eu2 O4 135.30(16) 2_655 . ?
O5 Eu2 O4 135.31(16) . 3_665 ?
O5 Eu2 O4 68.31(14) . 2_655 ?
O4 Eu2 Eu1 90.93(10) 3_665 . ?
O4 Eu2 Eu1 90.93(10) 2_655 . ?
O4 Eu2 Eu1 90.94(10) . . ?
O4 Eu2 O4 119.974(6) 3_665 2_655 ?
O4 Eu2 O4 119.972(8) 3_665 . ?
O4 Eu2 O4 119.975(7) 2_655 . ?
O3 Eu2 Eu1 40.38(10) . . ?
O3 Eu2 Eu1 40.38(10) 3_665 . ?
O3 Eu2 Eu1 40.38(10) 2_655 . ?
O3 Eu2 O5 137.93(14) 2_655 . ?
O3 Eu2 O5 93.41(15) . . ?
O3 Eu2 O5 141.15(14) 2_655 3_665 ?
O3 Eu2 O5 93.41(16) 3_665 3_665 ?
O3 Eu2 O5 141.16(15) . 2_655 ?
O3 Eu2 O5 137.93(13) 3_665 2_655 ?
O3 Eu2 O5 137.93(13) . 3_665 ?
O3 Eu2 O5 93.41(15) 2_655 2_655 ?
O3 Eu2 O5 141.16(14) 3_665 . ?
O3 Eu2 O4 73.55(14) 2_655 3_665 ?
O3 Eu2 O4 73.55(14) . 2_655 ?
O3 Eu2 O4 70.19(13) . . ?
O3 Eu2 O4 131.26(14) 2_655 . ?
O3 Eu2 O4 131.25(14) 3_665 2_655 ?
O3 Eu2 O4 70.19(14) 2_655 2_655 ?
O3 Eu2 O4 131.25(14) . 3_665 ?
O3 Eu2 O4 73.55(14) 3_665 . ?
O3 Eu2 O4 70.19(13) 3_665 3_665 ?
O3 Eu2 O3 68.26(15) 2_655 3_665 ?
O3 Eu2 O3 68.26(15) 2_655 . ?
O3 Eu2 O3 68.26(15) 3_665 . ?
O6 Zn1 O6 121.8(3) 17_655 . ?
O6 Zn1 N3 118.1(2) . 17_655 ?
O6 Zn1 N3 118.1(2) 17_655 . ?
O6 Zn1 N3 96.0(2) 17_655 17_655 ?
O6 Zn1 N3 96.0(2) . . ?
N3 Zn1 N3 107.4(3) 17_655 . ?
N1 O1 Eu1 98.1(4) . . ?
Eu2 O5 H5A 109.3 . . ?
Eu2 O5 H5B 109.3 . . ?
H5A O5 H5B 109.4 . . ?
N1 O2 Eu1 95.1(3) . . ?
C7 O4 Eu2 131.4(4) . . ?
C12 O6 Zn1 120.1(4) . . ?
H8A C8 H8B 108.1 . . ?
N2 C8 H8A 109.5 . . ?
N2 C8 H8B 109.5 . . ?
N2 C8 C9 110.6(5) . . ?
C9 C8 H8A 109.5 . . ?
C9 C8 H8B 109.5 . . ?
C8 N2 H2 118.1 . . ?
C7 N2 C8 123.9(5) . . ?
C7 N2 H2 118.1 . . ?
C8 C9 H9A 109.7 . . ?
C8 C9 H9B 109.7 . . ?
H9A C9 H9B 108.2 . . ?
N3 C9 C8 110.0(5) . . ?
N3 C9 H9A 109.7 . . ?
N3 C9 H9B 109.7 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
C4 C3 H3 119.4 . . ?
C4 C3 C2 121.1(6) . . ?
C2 C3 H3 119.4 . . ?
C3 C4 H4 120.3 . . ?
C3 C4 C5 119.4(6) . . ?
C5 C4 H4 120.3 . . ?
O1 N1 Eu1 56.5(3) . . ?
O2 N1 Eu1 59.6(3) . . ?
O2 N1 O1 115.8(5) . . ?
O7 N1 Eu1 172.5(5) . . ?
O7 N1 O1 121.6(6) . . ?
O7 N1 O2 122.6(6) . . ?
C4 C5 H5 119.7 . . ?
C6 C5 C4 120.6(6) . . ?
C6 C5 H5 119.7 . . ?
C9 N3 Zn1 122.5(4) . . ?
C10 N3 Zn1 118.9(5) . . ?
C10 N3 C9 118.6(6) . . ?
O4 C7 N2 121.0(6) . . ?
O4 C7 C2 121.3(5) . . ?
N2 C7 C2 117.6(5) . . ?
C12 C11 C10 124.7(6) . . ?
C17 C11 C12 118.7(6) . . ?
C17 C11 C10 116.6(6) . . ?
C5 C6 H6 119.5 . . ?
C5 C6 C1 121.0(6) . . ?
C1 C6 H6 119.5 . . ?
C3 C2 C7 121.0(6) . . ?
C3 C2 C1 118.9(6) . . ?
C1 C2 C7 120.1(5) . . ?
C14 C15 C16 121.9(8) . . ?
C17 C15 C16 121.0(8) . . ?
C17 C15 C14 117.1(7) . . ?
C15 C14 H14 118.9 . . ?
C13 C14 C15 122.2(7) . . ?
C13 C14 H14 118.9 . . ?
O6 C12 C11 123.2(6) . . ?
O6 C12 C13 119.4(6) . . ?
C13 C12 C11 117.4(6) . . ?
C11 C17 H17 118.5 . . ?
C15 C17 C11 123.1(7) . . ?
C15 C17 H17 118.5 . . ?
C14 C13 C12 121.4(7) . . ?
C14 C13 H13 119.3 . . ?
C12 C13 H13 119.3 . . ?
C6 C1 C2 118.9(5) . . ?
O3 C1 C6 121.1(6) . . ?
O3 C1 C2 120.0(5) . . ?
Eu1 O3 Eu2 97.38(14) . . ?
C1 O3 Eu1 137.9(4) . . ?
C1 O3 Eu2 123.4(4) . . ?
N3 C10 C11 127.0(6) . . ?
N3 C10 H10 116.5 . . ?
C11 C10 H10 116.5 . . ?
N4 C18 C19 179(2) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 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
Eu1 O1 N1 O2 -6.6(6) . . . . ?
Eu1 O1 N1 O7 171.4(5) . . . . ?
Eu1 O2 N1 O1 6.4(6) . . . . ?
Eu1 O2 N1 O7 -171.6(5) . . . . ?
Eu2 O4 C7 N2 -155.0(4) . . . . ?
Eu2 O4 C7 C2 29.1(9) . . . . ?
Zn1 O6 C12 C11 26.8(9) . . . . ?
Zn1 O6 C12 C13 -153.4(5) . . . . ?
Zn1 N3 C10 C11 -3.9(9) . . . . ?
O4 C7 C2 C3 135.2(7) . . . . ?
O4 C7 C2 C1 -43.0(9) . . . . ?
O6 C12 C13 C14 -179.4(7) . . . . ?
C8 N2 C7 O4 -3.8(10) . . . . ?
C8 N2 C7 C2 172.2(6) . . . . ?
C8 C9 N3 Zn1 71.9(6) . . . . ?
C8 C9 N3 C10 -108.2(7) . . . . ?
N2 C8 C9 N3 58.9(7) . . . . ?
N2 C7 C2 C3 -40.9(9) . . . . ?
N2 C7 C2 C1 141.0(6) . . . . ?
C9 C8 N2 C7 -113.2(7) . . . . ?
C9 N3 C10 C11 176.2(6) . . . . ?
C16 C15 C14 C13 -178.8(9) . . . . ?
C16 C15 C17 C11 179.6(8) . . . . ?
C3 C4 C5 C6 0.4(10) . . . . ?
C3 C2 C1 C6 -0.3(9) . . . . ?
C3 C2 C1 O3 179.4(5) . . . . ?
C4 C3 C2 C7 -175.7(6) . . . . ?
C4 C3 C2 C1 2.4(9) . . . . ?
C4 C5 C6 C1 1.7(10) . . . . ?
C5 C6 C1 C2 -1.8(9) . . . . ?
C5 C6 C1 O3 178.6(6) . . . . ?
C7 C2 C1 C6 177.9(6) . . . . ?
C7 C2 C1 O3 -2.5(9) . . . . ?
C11 C12 C13 C14 0.5(11) . . . . ?
C6 C1 O3 Eu1 74.4(7) . . . . ?
C6 C1 O3 Eu2 -122.1(5) . . . . ?
C2 C3 C4 C5 -2.5(10) . . . . ?
C2 C1 O3 Eu1 -105.2(6) . . . . ?
C2 C1 O3 Eu2 58.3(7) . . . . ?
C15 C14 C13 C12 -1.4(13) . . . . ?
C14 C15 C17 C11 -0.7(13) . . . . ?
C12 C11 C17 C15 -0.2(12) . . . . ?
C12 C11 C10 N3 -13.8(11) . . . . ?
C17 C11 C12 O6 -179.9(7) . . . . ?
C17 C11 C12 C13 0.3(10) . . . . ?
C17 C11 C10 N3 167.0(7) . . . . ?
C17 C15 C14 C13 1.5(13) . . . . ?
C10 C11 C12 O6 1.0(11) . . . . ?
C10 C11 C12 C13 -178.8(6) . . . . ?
C10 C11 C17 C15 179.0(7) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
