# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_Zn-Eu
_database_code_depnum_ccdc_archive 'CCDC 1558406'
_audit_update_record             
;
2017-06-26 deposited with the CCDC.
2017-11-13 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            'C26 H28 Eu N3 O17 Zn'
_chemical_formula_weight         871.84

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'
Zn Zn 0.2839 1.4301 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   18.0405(9)
_cell_length_b                   12.9922(6)
_cell_length_c                   14.9125(7)
_cell_angle_alpha                90
_cell_angle_beta                 113.2970(10)
_cell_angle_gamma                90
_cell_volume                     3210.3(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9921
_cell_measurement_theta_min      2.1606
_cell_measurement_theta_max      27.6095

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.804
_exptl_crystal_F_000             1736
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.190
_exptl_absorpt_coefficient_mu    2.765
_shelx_estimated_absorpt_T_min   0.594
_shelx_estimated_absorpt_T_max   0.622
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  bruker-CCD
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            16010
_diffrn_reflns_av_unetI/netI     0.0210
_diffrn_reflns_av_R_equivalents  0.0182
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.762
_diffrn_reflns_theta_max         25.010
_diffrn_reflns_theta_full        25.010
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             5673
_reflns_number_gt                5234
_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)+(0.0264P)²+8.3226P] 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         5673
_refine_ls_number_parameters     455
_refine_ls_number_restraints     354
_refine_ls_R_factor_all          0.0279
_refine_ls_R_factor_gt           0.0247
_refine_ls_wR_factor_ref         0.0611
_refine_ls_wR_factor_gt          0.0593
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_restrained_S_all      1.178
_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
Eu1 Eu 0.12181(2) 0.02431(2) 0.04783(2) 0.00694(6) Uani 1 1 d . . . . .
Zn1 Zn 0.35828(2) -0.09047(3) 0.14172(3) 0.01111(9) Uani 1 1 d . . . . .
O1 O 0.18727(13) -0.15092(17) 0.10420(16) 0.0141(5) Uani 1 1 d . . . . .
O2 O 0.31312(13) -0.18196(18) 0.21227(16) 0.0167(5) Uani 1 1 d . . . . .
O3 O 0.25560(13) -0.30834(17) 0.31448(16) 0.0129(5) Uani 1 1 d . . . . .
O4 O 0.31559(13) -0.38630(18) 0.49950(16) 0.0160(5) Uani 1 1 d . . . . .
O5 O 0.20639(14) -0.48571(18) 0.46359(17) 0.0165(5) Uani 1 1 d . . . . .
O6 O 0.09083(13) 0.17559(18) 0.13015(17) 0.0175(5) Uani 1 1 d . . . . .
O7 O -0.02255(13) 0.10377(17) 0.03103(15) 0.0122(5) Uani 1 1 d . . . . .
O8 O 0.00908(13) 0.29406(17) 0.21514(16) 0.0132(5) Uani 1 1 d . . . . .
O9 O 0.04661(13) 0.41202(18) 0.38314(16) 0.0164(5) Uani 1 1 d . . . . .
O10 O -0.08360(13) 0.46100(17) 0.32826(15) 0.0115(5) Uani 1 1 d . . . . .
O11 O 0.24357(13) 0.05305(17) 0.18757(16) 0.0121(5) Uani 1 1 d . . . . .
O12 O 0.36835(13) 0.05063(17) 0.18972(17) 0.0157(5) Uani 1 1 d . . . . .
O13 O 0.40084(13) 0.23768(17) 0.26320(16) 0.0138(5) Uani 1 1 d . . . . .
O14 O 0.47699(17) 0.4859(2) 0.3440(2) 0.0340(7) Uani 1 1 d . . . . .
O15 O 0.53467(13) 0.34578(19) 0.31279(18) 0.0205(5) Uani 1 1 d . . . . .
O16 O 0.18432(15) 0.18415(18) 0.02395(17) 0.0207(5) Uani 1 1 d . . . . .
N3 N 0.5315(2) 0.6857(3) 0.3889(2) 0.0313(8) Uani 1 1 d . . . . .
H3WA H 0.5413 0.7427 0.3599 0.038 Uiso 1 1 calc R U . . .
H3WB H 0.5237 0.6317 0.3472 0.038 Uiso 1 1 calc R U . . .
C1 C 0.2376(2) -0.1968(3) 0.1756(2) 0.0143(5) Uani 1 1 d . U . . .
C2 C 0.2078(2) -0.2804(3) 0.2212(2) 0.0157(5) Uani 1 1 d . U . . .
C3 C 0.1395(2) -0.3387(3) 0.1866(3) 0.0181(5) Uani 1 1 d . U . . .
H3 H 0.0968 -0.3344 0.1239 0.022 Uiso 1 1 calc R U . . .
C3AA C 0.3753(4) 0.5214(4) -0.0718(4) 0.0583(12) Uani 1 1 d . U . . .
H3AA H 0.3714 0.5853 -0.1084 0.087 Uiso 1 1 calc R U . . .
H3AB H 0.4241 0.4840 -0.0661 0.087 Uiso 1 1 calc R U . . .
H3AC H 0.3278 0.4786 -0.1061 0.087 Uiso 1 1 calc R U . . .
C4 C 0.1449(2) -0.4073(3) 0.2634(2) 0.0181(5) Uani 1 1 d . U . . .
H4 H 0.1068 -0.4584 0.2617 0.022 Uiso 1 1 calc R U . . .
C5 C 0.2154(2) -0.3852(3) 0.3394(2) 0.0151(5) Uani 1 1 d . U . . .
C6 C 0.2484(2) -0.4223(3) 0.4418(2) 0.0145(5) Uani 1 1 d . U . . .
C7 C 0.01553(19) 0.1702(2) 0.0953(2) 0.0119(5) Uani 1 1 d . U . . .
C8 C -0.03094(19) 0.2434(2) 0.1283(2) 0.0127(5) Uani 1 1 d . U . . .
C9 C -0.1092(2) 0.2719(3) 0.0890(2) 0.0143(5) Uani 1 1 d . U . . .
H9 H -0.1492 0.2484 0.0291 0.017 Uiso 1 1 calc R U . . .
C10 C -0.1202(2) 0.3437(3) 0.1542(2) 0.0139(5) Uani 1 1 d . U . . .
H10 H -0.1690 0.3776 0.1467 0.017 Uiso 1 1 calc R U . . .
C11 C -0.04742(19) 0.3545(2) 0.2296(2) 0.0124(5) Uani 1 1 d . U . . .
C12 C -0.02518(19) 0.4135(2) 0.3218(2) 0.0115(5) Uani 1 1 d . U . . .
C13 C 0.3100(2) 0.0937(3) 0.2027(3) 0.0178(5) Uani 1 1 d . U . . .
C14 C 0.3242(2) 0.2004(3) 0.2387(3) 0.0184(5) Uani 1 1 d . U . . .
C15 C 0.2751(2) 0.2755(3) 0.2469(3) 0.0224(5) Uani 1 1 d . U . . .
H15 H 0.2194 0.2693 0.2342 0.027 Uiso 1 1 calc R U . . .
C16 C 0.3234(2) 0.3651(3) 0.2781(3) 0.0230(5) Uani 1 1 d . U . . .
H16 H 0.3061 0.4308 0.2902 0.028 Uiso 1 1 calc R U . . .
C17 C 0.3990(2) 0.3389(3) 0.2876(3) 0.0209(5) Uani 1 1 d . U . . .
C18 C 0.4762(2) 0.3960(3) 0.3178(3) 0.0227(5) Uani 1 1 d . U . . .
C19 C 0.1733(3) 0.2340(3) -0.0498(3) 0.0285(8) Uani 1 1 d . U . . .
H19 H 0.1714 0.1970 -0.1056 0.034 Uiso 1 1 calc R U . . .
C20 C 0.1522(4) 0.3883(4) -0.1471(3) 0.0545(11) Uani 1 1 d . U . . .
H20A H 0.1977 0.4351 -0.1352 0.082 Uiso 1 1 calc R U . . .
H20B H 0.1020 0.4279 -0.1679 0.082 Uiso 1 1 calc R U . . .
H20C H 0.1490 0.3391 -0.1983 0.082 Uiso 1 1 calc R U . . .
C21 C 0.1561(4) 0.3935(4) 0.0193(4) 0.0571(11) Uani 1 1 d . U . . .
H21A H 0.1373 0.3490 0.0590 0.086 Uiso 1 1 calc R U . . .
H21B H 0.1171 0.4491 -0.0089 0.086 Uiso 1 1 calc R U . . .
H21C H 0.2086 0.4230 0.0603 0.086 Uiso 1 1 calc R U . . .
C22 C 0.3849(4) 0.4666(5) 0.0825(5) 0.0315(7) Uani 0.621(7) 1 d . U P A 1
H22A H 0.3775 0.4822 0.1407 0.038 Uiso 0.621(7) 1 calc R U P A 1
C22A C 0.4421(7) 0.4985(9) 0.0980(9) 0.0362(10) Uani 0.379(7) 1 d . U P A 2
H22B H 0.4643 0.5300 0.1605 0.043 Uiso 0.379(7) 1 calc R U P A 2
C23 C 0.3556(3) 0.6440(4) 0.0443(4) 0.0559(11) Uani 1 1 d . U . . .
H23A H 0.3544 0.6931 -0.0062 0.084 Uiso 1 1 calc R U . . .
H23B H 0.3018 0.6392 0.0454 0.084 Uiso 1 1 calc R U . . .
H23C H 0.3944 0.6674 0.1081 0.084 Uiso 1 1 calc R U . . .
C24 C 0.4588(3) 0.7017(4) 0.4080(4) 0.0494(12) Uani 1 1 d . U . . .
H24A H 0.4488 0.6407 0.4402 0.074 Uiso 1 1 calc R U . . .
H24B H 0.4126 0.7135 0.3462 0.074 Uiso 1 1 calc R U . . .
H24C H 0.4664 0.7618 0.4506 0.074 Uiso 1 1 calc R U . . .
C25 C 0.6022(3) 0.6644(5) 0.4808(4) 0.0613(14) Uani 1 1 d . U . . .
H25A H 0.6501 0.6539 0.4664 0.092 Uiso 1 1 calc R U . . .
H25B H 0.6112 0.7230 0.5254 0.092 Uiso 1 1 calc R U . . .
H25C H 0.5920 0.6024 0.5115 0.092 Uiso 1 1 calc R U . . .
N1 N 0.1639(2) 0.3335(2) -0.0587(2) 0.0364(9) Uani 1 1 d . . . . .
N2 N 0.3793(3) 0.5453(3) 0.0231(3) 0.0429(10) Uani 1 1 d . . . . .
O17 O 0.3984(6) 0.3765(5) 0.0709(5) 0.066(2) Uani 0.621(7) 1 d . U P A 1
O17A O 0.4699(11) 0.4151(11) 0.0840(10) 0.104(6) Uani 0.379(7) 1 d . U P A 2


_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 O10 2.361(2) 2_545 ?
Eu1 O5 2.382(2) 4 ?
Eu1 O11 2.385(2) . ?
Eu1 O7 2.386(2) 3 ?
Eu1 O9 2.433(2) 4_565 ?
Eu1 O16 2.455(2) . ?
Eu1 O6 2.495(2) . ?
Eu1 O1 2.549(2) . ?
Eu1 O7 2.719(2) . ?
Eu1 C7 2.974(3) . ?
Eu1 Eu1 4.0978(3) 3 ?
Zn1 O12 1.950(2) . ?
Zn1 O15 1.959(2) 2_645 ?
Zn1 O2 1.965(2) . ?
Zn1 O4 1.972(2) 4 ?
O1 C1 1.245(4) . ?
O2 C1 1.266(4) . ?
O3 C2 1.364(4) . ?
O3 C5 1.370(4) . ?
O4 C6 1.266(4) . ?
O4 Zn1 1.972(2) 4_556 ?
O5 C6 1.247(4) . ?
O5 Eu1 2.382(2) 4_556 ?
O6 C7 1.250(4) . ?
O7 C7 1.271(4) . ?
O7 Eu1 2.386(2) 3 ?
O8 C11 1.370(4) . ?
O8 C8 1.376(4) . ?
O9 C12 1.256(4) . ?
O9 Eu1 2.433(2) 4_566 ?
O10 C12 1.257(4) . ?
O10 Eu1 2.361(2) 2 ?
O11 C13 1.246(4) . ?
O12 C13 1.273(4) . ?
O13 C17 1.368(4) . ?
O13 C14 1.372(4) . ?
O14 C18 1.230(4) . ?
O15 C18 1.267(4) . ?
O15 Zn1 1.959(2) 2_655 ?
O16 C19 1.223(4) . ?
N3 C24 1.463(6) . ?
N3 C25 1.482(6) . ?
N3 H3WA 0.9100 . ?
N3 H3WB 0.9100 . ?
C1 C2 1.491(5) . ?
C2 C3 1.361(5) . ?
C3 C4 1.423(5) . ?
C3 H3 0.9500 . ?
C3AA N2 1.422(7) . ?
C3AA H3AA 0.9800 . ?
C3AA H3AB 0.9800 . ?
C3AA H3AC 0.9800 . ?
C4 C5 1.358(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.483(5) . ?
C7 C8 1.475(4) . ?
C8 C9 1.349(5) . ?
C9 C10 1.418(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.357(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.484(4) . ?
C13 C14 1.472(5) . ?
C14 C15 1.354(5) . ?
C15 C16 1.417(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.359(5) . ?
C16 H16 0.9500 . ?
C17 C18 1.482(5) . ?
C19 N1 1.303(5) . ?
C19 H19 0.9500 . ?
C20 N1 1.437(5) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 N1 1.453(6) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 O17 1.222(9) . ?
C22 N2 1.331(8) . ?
C22 H22A 0.9500 . ?
C22A O17A 1.245(16) . ?
C22A N2 1.378(12) . ?
C22A H22B 0.9500 . ?
C23 N2 1.425(6) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 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
O10 Eu1 O5 141.78(8) 2_545 4 ?
O10 Eu1 O11 79.85(7) 2_545 . ?
O5 Eu1 O11 86.16(8) 4 . ?
O10 Eu1 O7 75.42(7) 2_545 3 ?
O5 Eu1 O7 96.07(8) 4 3 ?
O11 Eu1 O7 142.40(7) . 3 ?
O10 Eu1 O9 133.60(7) 2_545 4_565 ?
O5 Eu1 O9 75.94(8) 4 4_565 ?
O11 Eu1 O9 141.44(7) . 4_565 ?
O7 Eu1 O9 74.31(7) 3 4_565 ?
O10 Eu1 O16 134.52(8) 2_545 . ?
O5 Eu1 O16 71.03(8) 4 . ?
O11 Eu1 O16 71.16(8) . . ?
O7 Eu1 O16 144.75(8) 3 . ?
O9 Eu1 O16 70.78(8) 4_565 . ?
O10 Eu1 O6 72.41(8) 2_545 . ?
O5 Eu1 O6 137.75(8) 4 . ?
O11 Eu1 O6 75.81(7) . . ?
O7 Eu1 O6 121.42(7) 3 . ?
O9 Eu1 O6 94.87(8) 4_565 . ?
O16 Eu1 O6 67.06(8) . . ?
O10 Eu1 O1 70.81(7) 2_545 . ?
O5 Eu1 O1 71.10(7) 4 . ?
O11 Eu1 O1 72.86(7) . . ?
O7 Eu1 O1 72.49(7) 3 . ?
O9 Eu1 O1 129.57(8) 4_565 . ?
O16 Eu1 O1 128.59(8) . . ?
O6 Eu1 O1 134.90(7) . . ?
O10 Eu1 O7 68.83(7) 2_545 . ?
O5 Eu1 O7 145.21(7) 4 . ?
O11 Eu1 O7 122.59(7) . . ?
O7 Eu1 O7 73.42(8) 3 . ?
O9 Eu1 O7 69.31(7) 4_565 . ?
O16 Eu1 O7 98.26(8) . . ?
O6 Eu1 O7 49.72(7) . . ?
O1 Eu1 O7 132.16(7) . . ?
O10 Eu1 C7 67.68(8) 2_545 . ?
O5 Eu1 C7 150.19(8) 4 . ?
O11 Eu1 C7 98.62(8) . . ?
O7 Eu1 C7 97.64(8) 3 . ?
O9 Eu1 C7 82.48(8) 4_565 . ?
O16 Eu1 C7 82.64(8) . . ?
O6 Eu1 C7 24.47(8) . . ?
O1 Eu1 C7 138.48(8) . . ?
O7 Eu1 C7 25.29(8) . . ?
O10 Eu1 Eu1 67.28(5) 2_545 3 ?
O5 Eu1 Eu1 127.34(6) 4 3 ?
O11 Eu1 Eu1 144.97(5) . 3 ?
O7 Eu1 Eu1 39.50(5) 3 3 ?
O9 Eu1 Eu1 66.92(5) 4_565 3 ?
O16 Eu1 Eu1 124.81(6) . 3 ?
O6 Eu1 Eu1 82.79(5) . 3 ?
O1 Eu1 Eu1 105.68(5) . 3 ?
O7 Eu1 Eu1 33.92(5) . 3 ?
C7 Eu1 Eu1 58.49(6) . 3 ?
O12 Zn1 O15 109.53(10) . 2_645 ?
O12 Zn1 O2 111.73(10) . . ?
O15 Zn1 O2 96.86(10) 2_645 . ?
O12 Zn1 O4 118.59(10) . 4 ?
O15 Zn1 O4 102.70(10) 2_645 4 ?
O2 Zn1 O4 114.51(10) . 4 ?
C1 O1 Eu1 142.7(2) . . ?
C1 O2 Zn1 117.7(2) . . ?
C2 O3 C5 106.3(2) . . ?
C6 O4 Zn1 122.4(2) . 4_556 ?
C6 O5 Eu1 149.2(2) . 4_556 ?
C7 O6 Eu1 99.77(19) . . ?
C7 O7 Eu1 157.2(2) . 3 ?
C7 O7 Eu1 88.63(18) . . ?
Eu1 O7 Eu1 106.58(8) 3 . ?
C11 O8 C8 106.1(2) . . ?
C12 O9 Eu1 137.1(2) . 4_566 ?
C12 O10 Eu1 138.1(2) . 2 ?
C13 O11 Eu1 135.4(2) . . ?
C13 O12 Zn1 120.5(2) . . ?
C17 O13 C14 106.4(3) . . ?
C18 O15 Zn1 119.4(2) . 2_655 ?
C19 O16 Eu1 131.1(2) . . ?
C24 N3 C25 110.8(4) . . ?
C24 N3 H3WA 109.5 . . ?
C25 N3 H3WA 109.5 . . ?
C24 N3 H3WB 109.5 . . ?
C25 N3 H3WB 109.5 . . ?
H3WA N3 H3WB 108.1 . . ?
O1 C1 O2 126.3(3) . . ?
O1 C1 C2 117.8(3) . . ?
O2 C1 C2 115.8(3) . . ?
C3 C2 O3 110.6(3) . . ?
C3 C2 C1 131.9(3) . . ?
O3 C2 C1 117.5(3) . . ?
C2 C3 C4 106.2(3) . . ?
C2 C3 H3 126.9 . . ?
C4 C3 H3 126.9 . . ?
N2 C3AA H3AA 109.5 . . ?
N2 C3AA H3AB 109.5 . . ?
H3AA C3AA H3AB 109.5 . . ?
N2 C3AA H3AC 109.5 . . ?
H3AA C3AA H3AC 109.5 . . ?
H3AB C3AA H3AC 109.5 . . ?
C5 C4 C3 106.5(3) . . ?
C5 C4 H4 126.8 . . ?
C3 C4 H4 126.8 . . ?
C4 C5 O3 110.4(3) . . ?
C4 C5 C6 130.8(3) . . ?
O3 C5 C6 118.4(3) . . ?
O5 C6 O4 125.8(3) . . ?
O5 C6 C5 116.4(3) . . ?
O4 C6 C5 117.8(3) . . ?
O6 C7 O7 121.7(3) . . ?
O6 C7 C8 119.6(3) . . ?
O7 C7 C8 118.7(3) . . ?
O6 C7 Eu1 55.77(16) . . ?
O7 C7 Eu1 66.08(16) . . ?
C8 C7 Eu1 174.5(2) . . ?
C9 C8 O8 110.3(3) . . ?
C9 C8 C7 131.9(3) . . ?
O8 C8 C7 117.8(3) . . ?
C8 C9 C10 106.8(3) . . ?
C8 C9 H9 126.6 . . ?
C10 C9 H9 126.6 . . ?
C11 C10 C9 106.5(3) . . ?
C11 C10 H10 126.7 . . ?
C9 C10 H10 126.7 . . ?
C10 C11 O8 110.3(3) . . ?
C10 C11 C12 129.8(3) . . ?
O8 C11 C12 119.8(3) . . ?
O9 C12 O10 127.3(3) . . ?
O9 C12 C11 119.3(3) . . ?
O10 C12 C11 113.4(3) . . ?
O11 C13 O12 125.4(3) . . ?
O11 C13 C14 118.8(3) . . ?
O12 C13 C14 115.8(3) . . ?
C15 C14 O13 110.4(3) . . ?
C15 C14 C13 133.3(3) . . ?
O13 C14 C13 116.2(3) . . ?
C14 C15 C16 106.4(3) . . ?
C14 C15 H15 126.8 . . ?
C16 C15 H15 126.8 . . ?
C17 C16 C15 106.8(3) . . ?
C17 C16 H16 126.6 . . ?
C15 C16 H16 126.6 . . ?
C16 C17 O13 110.0(3) . . ?
C16 C17 C18 133.7(3) . . ?
O13 C17 C18 116.4(3) . . ?
O14 C18 O15 127.1(3) . . ?
O14 C18 C17 117.6(3) . . ?
O15 C18 C17 115.3(3) . . ?
O16 C19 N1 125.9(4) . . ?
O16 C19 H19 117.1 . . ?
N1 C19 H19 117.1 . . ?
N1 C20 H20A 109.5 . . ?
N1 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
N1 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N1 C21 H21A 109.5 . . ?
N1 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
N1 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
O17 C22 N2 127.5(7) . . ?
O17 C22 H22A 116.3 . . ?
N2 C22 H22A 116.3 . . ?
O17A C22A N2 120.4(11) . . ?
O17A C22A H22B 119.8 . . ?
N2 C22A H22B 119.8 . . ?
N2 C23 H23A 109.5 . . ?
N2 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
N2 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N3 C24 H24A 109.5 . . ?
N3 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
N3 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N3 C25 H25A 109.5 . . ?
N3 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
N3 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C19 N1 C20 123.4(4) . . ?
C19 N1 C21 120.0(4) . . ?
C20 N1 C21 116.2(4) . . ?
C22 N2 C3AA 117.1(5) . . ?
C22A N2 C3AA 114.3(6) . . ?
C22 N2 C23 119.6(5) . . ?
C22A N2 C23 116.1(6) . . ?
C3AA N2 C23 121.0(4) . . ?

_refine_diff_density_max         1.103
_refine_diff_density_min         -1.252
_refine_diff_density_rms         0.093

####################################################################### 
# 
# 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_Zn-Tb
_database_code_depnum_ccdc_archive 'CCDC 1558407'
_audit_update_record             
;
2017-06-26 deposited with the CCDC.
2017-11-13 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            'C26 H28 Eu0 N3 O17 Tb Zn'
_chemical_formula_weight         878.80

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'
Eu Eu -0.1578 3.6682 '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'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   17.9663(18)
_cell_length_b                   12.9541(13)
_cell_length_c                   14.8528(16)
_cell_angle_alpha                90
_cell_angle_beta                 113.2490(10)
_cell_angle_gamma                90
_cell_volume                     3176.1(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9069
_cell_measurement_theta_min      2.7433
_cell_measurement_theta_max      27.5657

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.838
_exptl_crystal_F_000             1744
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.170
_exptl_absorpt_coefficient_mu    3.046
_shelx_estimated_absorpt_T_min   0.567
_shelx_estimated_absorpt_T_max   0.625
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  bruker-CCD
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            15991
_diffrn_reflns_av_unetI/netI     0.0430
_diffrn_reflns_av_R_equivalents  0.0399
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.468
_diffrn_reflns_theta_max         25.009
_diffrn_reflns_theta_full        25.009
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             5600
_reflns_number_gt                4930
_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)+(0.0378P)²+2.1625P] 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         5600
_refine_ls_number_parameters     452
_refine_ls_number_restraints     354
_refine_ls_R_factor_all          0.0357
_refine_ls_R_factor_gt           0.0300
_refine_ls_wR_factor_ref         0.0803
_refine_ls_wR_factor_gt          0.0763
_refine_ls_goodness_of_fit_ref   1.140
_refine_ls_restrained_S_all      1.182
_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
Tb1 Tb 0.37811(2) 0.97455(2) 0.45206(2) 0.00869(8) Uani 1 1 d . . . . .
Zn1 Zn 0.14202(3) 1.08990(3) 0.35800(3) 0.01395(12) Uani 1 1 d . . . . .
O1 O 0.31264(16) 1.3496(2) 0.89572(19) 0.0171(6) Uani 1 1 d . . . . .
O2 O 0.18634(16) 1.3180(2) 0.7867(2) 0.0191(6) Uani 1 1 d . . . . .
O3 O 0.24489(15) 1.1901(2) 0.68578(19) 0.0159(6) Uani 1 1 d . . . . .
O4 O 0.18529(16) 1.1121(2) 0.5005(2) 0.0185(6) Uani 1 1 d . . . . .
O5 O 0.29583(17) 1.0137(2) 0.5371(2) 0.0193(6) Uani 1 1 d . . . . .
O6 O 0.45400(15) 0.9084(2) 0.6142(2) 0.0172(6) Uani 1 1 d . . . . .
O7 O 0.58383(15) 0.96147(19) 0.67015(19) 0.0122(6) Uani 1 1 d . . . . .
O8 O 0.49171(15) 0.7930(2) 0.78415(19) 0.0135(6) Uani 1 1 d . . . . .
O9 O 0.41127(16) 0.6750(2) 0.8726(2) 0.0185(6) Uani 1 1 d . . . . .
O10 O 0.52582(16) 0.60180(19) 0.96805(19) 0.0148(6) Uani 1 1 d . . . . .
O11 O 0.25786(15) 0.9462(2) 0.3128(2) 0.0150(6) Uani 1 1 d . . . . .
O12 O 0.13203(16) 0.9488(2) 0.3097(2) 0.0178(6) Uani 1 1 d . . . . .
O13 O 0.09963(15) 0.7615(2) 0.2363(2) 0.0163(6) Uani 1 1 d . . . . .
O14 O -0.03468(16) 0.6539(2) 0.1863(2) 0.0236(7) Uani 1 1 d . . . . .
O15 O 0.0233(2) 0.5121(3) 0.1561(3) 0.0383(9) Uani 1 1 d . . . . .
O16 O 0.31508(17) 0.8158(2) 0.4752(2) 0.0215(6) Uani 1 1 d . . . . .
O17A O 0.0285(11) 0.5830(10) 0.4153(10) 0.098(6) Uani 0.421(9) 1 d . . P A 1
O17 O 0.1033(7) 0.6234(6) 0.4289(6) 0.071(3) Uani 0.579(9) 1 d . . P A 2
C1 C 0.2621(2) 1.3028(3) 0.8240(3) 0.0160(7) Uani 1 1 d . U . . .
C2 C 0.2928(2) 1.2188(3) 0.7799(3) 0.0184(7) Uani 1 1 d . U . . .
C3 C 0.3607(3) 1.1603(3) 0.8147(3) 0.0224(8) Uani 1 1 d . U . . .
H3A H 0.4032 1.1644 0.8780 0.027 Uiso 1 1 calc R U . . .
C4 C 0.3560(2) 1.0918(3) 0.7383(3) 0.0218(8) Uani 1 1 d . U . . .
H4A H 0.3948 1.0408 0.7407 0.026 Uiso 1 1 calc R U . . .
C5 C 0.2854(2) 1.1130(3) 0.6608(3) 0.0178(7) Uani 1 1 d . U . . .
C6 C 0.2531(2) 1.0762(3) 0.5585(3) 0.0174(7) Uani 1 1 d . U . . .
C7 C 0.5258(2) 0.9128(3) 0.6761(3) 0.0128(7) Uani 1 1 d . U . . .
C8 C 0.5479(2) 0.8539(3) 0.7690(3) 0.0135(7) Uani 1 1 d . U . . .
C9 C 0.6211(2) 0.8442(3) 0.8448(3) 0.0169(7) Uani 1 1 d . U . . .
H9A H 0.6697 0.8789 0.8520 0.020 Uiso 1 1 calc R U . . .
C10 C 0.6111(2) 0.7727(3) 0.9104(3) 0.0172(7) Uani 1 1 d . U . . .
H10A H 0.6517 0.7497 0.9705 0.021 Uiso 1 1 calc R U . . .
C11 C 0.5324(2) 0.7429(3) 0.8715(3) 0.0147(7) Uani 1 1 d . U . . .
C12 C 0.4869(2) 0.6692(3) 0.9055(3) 0.0140(7) Uani 1 1 d . U . . .
C13 C 0.1911(2) 0.9052(3) 0.2969(3) 0.0176(8) Uani 1 1 d . U . . .
C14 C 0.1767(2) 0.7989(3) 0.2612(3) 0.0187(7) Uani 1 1 d . U . . .
C15 C 0.2256(3) 0.7237(3) 0.2527(3) 0.0243(8) Uani 1 1 d . U . . .
H15A H 0.2815 0.7299 0.2653 0.029 Uiso 1 1 calc R U . . .
C16 C 0.1771(3) 0.6334(3) 0.2213(3) 0.0260(8) Uani 1 1 d . U . . .
H16A H 0.1942 0.5674 0.2092 0.031 Uiso 1 1 calc R U . . .
C17 C 0.1013(2) 0.6606(3) 0.2120(3) 0.0211(8) Uani 1 1 d . U . . .
C18 C 0.0240(3) 0.6027(3) 0.1819(3) 0.0242(8) Uani 1 1 d . U . . .
C19 C 0.3271(3) 0.7664(3) 0.5504(3) 0.0239(9) Uani 1 1 d . U . . .
H19 H 0.3289 0.8036 0.6063 0.029 Uiso 1 1 calc R U . . .
C20 C 0.3505(4) 0.6121(4) 0.6488(4) 0.0571(15) Uani 1 1 d . U . . .
H20A H 0.3568 0.5383 0.6391 0.086 Uiso 1 1 calc R U . . .
H20B H 0.3996 0.6382 0.7015 0.086 Uiso 1 1 calc R U . . .
H20C H 0.3039 0.6225 0.6664 0.086 Uiso 1 1 calc R U . . .
C21 C 0.3458(5) 0.6062(5) 0.4819(5) 0.0680(17) Uani 1 1 d . U . . .
H21A H 0.3531 0.5334 0.5016 0.102 Uiso 1 1 calc R U . . .
H21B H 0.2969 0.6137 0.4216 0.102 Uiso 1 1 calc R U . . .
H21C H 0.3930 0.6301 0.4703 0.102 Uiso 1 1 calc R U . . .
C22 C 0.1034(3) 0.8315(6) 0.4797(5) 0.0674(18) Uani 1 1 d . U . . .
H22A H 0.1508 0.8410 0.4636 0.101 Uiso 1 1 calc R U . . .
H22B H 0.0949 0.8938 0.5118 0.101 Uiso 1 1 calc R U . . .
H22C H 0.1124 0.7724 0.5240 0.101 Uiso 1 1 calc R U . . .
C23 C -0.0405(3) 0.7977(4) 0.4105(5) 0.0492(14) Uani 1 1 d . U . . .
H23A H -0.0875 0.7850 0.3493 0.074 Uiso 1 1 calc R U . . .
H23B H -0.0324 0.7384 0.4543 0.074 Uiso 1 1 calc R U . . .
H23C H -0.0499 0.8598 0.4421 0.074 Uiso 1 1 calc R U . . .
C24A C 0.0553(9) 0.5001(11) 0.4021(11) 0.048(2) Uani 0.421(9) 1 d . U P A 1
H24A H 0.0308 0.4667 0.3404 0.057 Uiso 0.421(9) 1 calc R U P A 1
C24 C 0.1153(6) 0.5310(6) 0.4180(7) 0.0385(14) Uani 0.579(9) 1 d . U P A 2
H24 H 0.1211 0.5142 0.3589 0.046 Uiso 0.579(9) 1 calc R U P A 2
C25 C 0.1457(4) 0.3553(5) 0.4554(5) 0.0672(17) Uani 1 1 d . U . . .
H25A H 0.1469 0.3060 0.5061 0.101 Uiso 1 1 calc R U . . .
H25B H 0.1071 0.3314 0.3913 0.101 Uiso 1 1 calc R U . . .
H25C H 0.1998 0.3606 0.4545 0.101 Uiso 1 1 calc R U . . .
C26 C 0.1267(5) 0.4802(5) 0.5712(5) 0.073(2) Uani 1 1 d . U . . .
H26A H 0.1308 0.4170 0.6091 0.110 Uiso 1 1 calc R U . . .
H26B H 0.1749 0.5229 0.6042 0.110 Uiso 1 1 calc R U . . .
H26C H 0.0782 0.5187 0.5661 0.110 Uiso 1 1 calc R U . . .
N1 N 0.3374(3) 0.6673(3) 0.5591(3) 0.0403(11) Uani 1 1 d . . . . .
N2 N 0.0313(3) 0.8122(3) 0.3892(3) 0.0371(10) Uani 1 1 d . . . . .
H2WA H 0.0234 0.8666 0.3477 0.044 Uiso 1 1 calc R U . . .
H2WB H 0.0396 0.7549 0.3589 0.044 Uiso 1 1 calc R U . . .
N3 N 0.1211(3) 0.4541(3) 0.4762(3) 0.0426(11) 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 O7 2.330(3) 3_676 ?
Tb1 O10 2.343(3) 2_656 ?
Tb1 O5 2.347(3) . ?
Tb1 O11 2.357(3) . ?
Tb1 O6 2.408(3) . ?
Tb1 O16 2.436(3) . ?
Tb1 O9 2.460(3) 4_575 ?
Tb1 O1 2.549(3) 4_585 ?
Tb1 O10 2.753(3) 4_575 ?
Tb1 C12 2.972(4) 4_575 ?
Zn1 O12 1.945(3) . ?
Zn1 O14 1.959(3) 2 ?
Zn1 O2 1.961(3) 4_585 ?
Zn1 O4 1.966(3) . ?
O1 C1 1.250(5) . ?
O1 Tb1 2.549(3) 4_586 ?
O2 C1 1.266(5) . ?
O2 Zn1 1.961(3) 4_586 ?
O3 C5 1.372(5) . ?
O3 C2 1.372(5) . ?
O4 C6 1.271(5) . ?
O5 C6 1.241(5) . ?
O6 C7 1.256(5) . ?
O7 C7 1.252(4) . ?
O7 Tb1 2.330(3) 3_676 ?
O8 C8 1.368(4) . ?
O8 C11 1.375(4) . ?
O9 C12 1.252(5) . ?
O9 Tb1 2.460(3) 4_576 ?
O10 C12 1.265(5) . ?
O10 Tb1 2.343(3) 2_646 ?
O10 Tb1 2.753(3) 4_576 ?
O11 C13 1.246(5) . ?
O12 C13 1.282(5) . ?
O13 C17 1.359(5) . ?
O13 C14 1.373(4) . ?
O14 C18 1.270(5) . ?
O14 Zn1 1.959(3) 2_545 ?
O15 C18 1.233(5) . ?
O16 C19 1.230(5) . ?
O17A C24A 1.224(17) . ?
O17 C24 1.238(10) . ?
C1 C2 1.484(5) . ?
C2 C3 1.354(6) . ?
C3 C4 1.418(6) . ?
C3 H3A 0.9500 . ?
C4 C5 1.363(6) . ?
C4 H4A 0.9500 . ?
C5 C6 1.475(6) . ?
C7 C8 1.486(5) . ?
C8 C9 1.357(5) . ?
C9 C10 1.407(5) . ?
C9 H9A 0.9500 . ?
C10 C11 1.355(6) . ?
C10 H10A 0.9500 . ?
C11 C12 1.470(5) . ?
C12 Tb1 2.972(4) 4_576 ?
C13 C14 1.461(5) . ?
C14 C15 1.351(6) . ?
C15 C16 1.422(6) . ?
C15 H15A 0.9500 . ?
C16 C17 1.359(6) . ?
C16 H16A 0.9500 . ?
C17 C18 1.484(6) . ?
C19 N1 1.296(6) . ?
C19 H19 0.9500 . ?
C20 N1 1.447(6) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 N1 1.449(7) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 N2 1.475(7) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 N2 1.457(6) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24A N3 1.392(14) . ?
C24A H24A 0.9500 . ?
C24 N3 1.296(10) . ?
C24 H24 0.9500 . ?
C25 N3 1.426(7) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 N3 1.416(8) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
N2 H2WA 0.9100 . ?
N2 H2WB 0.9100 . ?

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
O7 Tb1 O10 76.13(9) 3_676 2_656 ?
O7 Tb1 O5 141.53(9) 3_676 . ?
O10 Tb1 O5 94.01(10) 2_656 . ?
O7 Tb1 O11 79.68(9) 3_676 . ?
O10 Tb1 O11 142.31(9) 2_656 . ?
O5 Tb1 O11 87.26(10) . . ?
O7 Tb1 O6 132.92(9) 3_676 . ?
O10 Tb1 O6 74.37(9) 2_656 . ?
O5 Tb1 O6 76.54(10) . . ?
O11 Tb1 O6 141.57(9) . . ?
O7 Tb1 O16 134.91(9) 3_676 . ?
O10 Tb1 O16 144.38(9) 2_656 . ?
O5 Tb1 O16 71.33(10) . . ?
O11 Tb1 O16 71.11(9) . . ?
O6 Tb1 O16 70.72(9) . . ?
O7 Tb1 O9 72.87(9) 3_676 4_575 ?
O10 Tb1 O9 121.83(9) 2_656 4_575 ?
O5 Tb1 O9 138.69(9) . 4_575 ?
O11 Tb1 O9 76.58(9) . 4_575 ?
O6 Tb1 O9 92.90(9) . 4_575 ?
O16 Tb1 O9 67.50(9) . 4_575 ?
O7 Tb1 O1 70.46(9) 3_676 4_585 ?
O10 Tb1 O1 71.92(8) 2_656 4_585 ?
O5 Tb1 O1 71.12(9) . 4_585 ?
O11 Tb1 O1 72.96(9) . 4_585 ?
O6 Tb1 O1 130.69(9) . 4_585 ?
O16 Tb1 O1 128.37(9) . 4_585 ?
O9 Tb1 O1 135.56(9) 4_575 4_585 ?
O7 Tb1 O10 68.02(8) 3_676 4_575 ?
O10 Tb1 O10 73.54(9) 2_656 4_575 ?
O5 Tb1 O10 145.23(9) . 4_575 ?
O11 Tb1 O10 122.55(8) . 4_575 ?
O6 Tb1 O10 68.89(8) . 4_575 ?
O16 Tb1 O10 99.82(8) . 4_575 ?
O9 Tb1 O10 49.53(8) 4_575 4_575 ?
O1 Tb1 O10 130.81(8) 4_585 4_575 ?
O7 Tb1 C12 67.62(9) 3_676 4_575 ?
O10 Tb1 C12 97.93(10) 2_656 4_575 ?
O5 Tb1 C12 150.72(10) . 4_575 ?
O11 Tb1 C12 99.04(10) . 4_575 ?
O6 Tb1 C12 81.09(10) . 4_575 ?
O16 Tb1 C12 83.65(10) . 4_575 ?
O9 Tb1 C12 24.39(9) 4_575 4_575 ?
O1 Tb1 C12 138.08(9) 4_585 4_575 ?
O10 Tb1 C12 25.16(9) 4_575 4_575 ?
O12 Zn1 O14 109.79(12) . 2 ?
O12 Zn1 O2 111.77(12) . 4_585 ?
O14 Zn1 O2 96.71(12) 2 4_585 ?
O12 Zn1 O4 118.30(12) . . ?
O14 Zn1 O4 102.58(12) 2 . ?
O2 Zn1 O4 114.81(12) 4_585 . ?
C1 O1 Tb1 143.0(2) . 4_586 ?
C1 O2 Zn1 117.0(3) . 4_586 ?
C5 O3 C2 106.7(3) . . ?
C6 O4 Zn1 122.8(2) . . ?
C6 O5 Tb1 149.8(3) . . ?
C7 O6 Tb1 136.9(2) . . ?
C7 O7 Tb1 138.0(2) . 3_676 ?
C8 O8 C11 106.0(3) . . ?
C12 O9 Tb1 101.4(2) . 4_576 ?
C12 O10 Tb1 160.1(3) . 2_646 ?
C12 O10 Tb1 87.1(2) . 4_576 ?
Tb1 O10 Tb1 106.46(9) 2_646 4_576 ?
C13 O11 Tb1 135.5(3) . . ?
C13 O12 Zn1 120.5(2) . . ?
C17 O13 C14 106.6(3) . . ?
C18 O14 Zn1 119.3(3) . 2_545 ?
C19 O16 Tb1 130.0(3) . . ?
O1 C1 O2 126.3(4) . . ?
O1 C1 C2 117.4(3) . . ?
O2 C1 C2 116.3(3) . . ?
C3 C2 O3 110.2(4) . . ?
C3 C2 C1 132.6(4) . . ?
O3 C2 C1 117.1(3) . . ?
C2 C3 C4 106.5(4) . . ?
C2 C3 H3A 126.7 . . ?
C4 C3 H3A 126.7 . . ?
C5 C4 C3 107.0(4) . . ?
C5 C4 H4A 126.5 . . ?
C3 C4 H4A 126.5 . . ?
C4 C5 O3 109.5(4) . . ?
C4 C5 C6 131.5(4) . . ?
O3 C5 C6 118.6(3) . . ?
O5 C6 O4 126.1(4) . . ?
O5 C6 C5 116.3(4) . . ?
O4 C6 C5 117.6(3) . . ?
O7 C7 O6 127.9(4) . . ?
O7 C7 C8 113.5(3) . . ?
O6 C7 C8 118.6(3) . . ?
C9 C8 O8 110.3(3) . . ?
C9 C8 C7 129.3(3) . . ?
O8 C8 C7 120.2(3) . . ?
C8 C9 C10 106.8(3) . . ?
C8 C9 H9A 126.6 . . ?
C10 C9 H9A 126.6 . . ?
C11 C10 C9 106.8(3) . . ?
C11 C10 H10A 126.6 . . ?
C9 C10 H10A 126.6 . . ?
C10 C11 O8 110.2(3) . . ?
C10 C11 C12 131.8(4) . . ?
O8 C11 C12 118.0(3) . . ?
O9 C12 O10 121.9(3) . . ?
O9 C12 C11 119.5(3) . . ?
O10 C12 C11 118.6(3) . . ?
O9 C12 Tb1 54.26(19) . 4_576 ?
O10 C12 Tb1 67.7(2) . 4_576 ?
C11 C12 Tb1 173.2(3) . 4_576 ?
O11 C13 O12 125.1(4) . . ?
O11 C13 C14 119.3(3) . . ?
O12 C13 C14 115.5(3) . . ?
C15 C14 O13 110.1(3) . . ?
C15 C14 C13 133.2(4) . . ?
O13 C14 C13 116.5(3) . . ?
C14 C15 C16 106.7(4) . . ?
C14 C15 H15A 126.7 . . ?
C16 C15 H15A 126.7 . . ?
C17 C16 C15 106.2(4) . . ?
C17 C16 H16A 126.9 . . ?
C15 C16 H16A 126.9 . . ?
C16 C17 O13 110.4(3) . . ?
C16 C17 C18 132.9(4) . . ?
O13 C17 C18 116.7(3) . . ?
O15 C18 O14 127.4(4) . . ?
O15 C18 C17 117.9(4) . . ?
O14 C18 C17 114.7(4) . . ?
O16 C19 N1 124.9(4) . . ?
O16 C19 H19 117.5 . . ?
N1 C19 H19 117.5 . . ?
N1 C20 H20A 109.5 . . ?
N1 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
N1 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N1 C21 H21A 109.5 . . ?
N1 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
N1 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N2 C22 H22A 109.5 . . ?
N2 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
N2 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N2 C23 H23A 109.5 . . ?
N2 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
N2 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
O17A C24A N3 120.9(12) . . ?
O17A C24A H24A 119.5 . . ?
N3 C24A H24A 119.5 . . ?
O17 C24 N3 128.9(9) . . ?
O17 C24 H24 115.5 . . ?
N3 C24 H24 115.5 . . ?
N3 C25 H25A 109.5 . . ?
N3 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
N3 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
N3 C26 H26A 109.5 . . ?
N3 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
N3 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C19 N1 C20 123.1(4) . . ?
C19 N1 C21 121.2(4) . . ?
C20 N1 C21 115.4(4) . . ?
C23 N2 C22 111.0(4) . . ?
C23 N2 H2WA 109.4 . . ?
C22 N2 H2WA 109.4 . . ?
C23 N2 H2WB 109.4 . . ?
C22 N2 H2WB 109.4 . . ?
H2WA N2 H2WB 108.0 . . ?
C24 N3 C26 115.9(6) . . ?
C24A N3 C26 112.9(8) . . ?
C24 N3 C25 119.7(6) . . ?
C24A N3 C25 116.9(7) . . ?
C26 N3 C25 121.6(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
Tb1 O1 C1 O2 -66.9(6) 4_586 . . . ?
Tb1 O1 C1 C2 115.4(4) 4_586 . . . ?
Zn1 O2 C1 O1 -8.7(5) 4_586 . . . ?
Zn1 O2 C1 C2 169.1(3) 4_586 . . . ?
C5 O3 C2 C3 -1.5(4) . . . . ?
C5 O3 C2 C1 179.5(3) . . . . ?
O1 C1 C2 C3 21.4(7) . . . . ?
O2 C1 C2 C3 -156.6(4) . . . . ?
O1 C1 C2 O3 -159.9(3) . . . . ?
O2 C1 C2 O3 22.1(5) . . . . ?
O3 C2 C3 C4 0.7(5) . . . . ?
C1 C2 C3 C4 179.5(4) . . . . ?
C2 C3 C4 C5 0.3(5) . . . . ?
C3 C4 C5 O3 -1.2(5) . . . . ?
C3 C4 C5 C6 171.5(4) . . . . ?
C2 O3 C5 C4 1.7(4) . . . . ?
C2 O3 C5 C6 -172.1(3) . . . . ?
Tb1 O5 C6 O4 67.3(7) . . . . ?
Tb1 O5 C6 C5 -111.5(5) . . . . ?
Zn1 O4 C6 O5 -9.3(6) . . . . ?
Zn1 O4 C6 C5 169.5(3) . . . . ?
C4 C5 C6 O5 1.0(7) . . . . ?
O3 C5 C6 O5 173.2(3) . . . . ?
C4 C5 C6 O4 -177.9(4) . . . . ?
O3 C5 C6 O4 -5.7(5) . . . . ?
Tb1 O7 C7 O6 -24.7(6) 3_676 . . . ?
Tb1 O7 C7 C8 154.9(3) 3_676 . . . ?
Tb1 O6 C7 O7 2.5(6) . . . . ?
Tb1 O6 C7 C8 -177.1(2) . . . . ?
C11 O8 C8 C9 -1.0(4) . . . . ?
C11 O8 C8 C7 174.9(3) . . . . ?
O7 C7 C8 C9 -1.9(6) . . . . ?
O6 C7 C8 C9 177.8(4) . . . . ?
O7 C7 C8 O8 -176.9(3) . . . . ?
O6 C7 C8 O8 2.8(5) . . . . ?
O8 C8 C9 C10 0.8(4) . . . . ?
C7 C8 C9 C10 -174.6(4) . . . . ?
C8 C9 C10 C11 -0.2(5) . . . . ?
C9 C10 C11 O8 -0.4(4) . . . . ?
C9 C10 C11 C12 178.8(4) . . . . ?
C8 O8 C11 C10 0.9(4) . . . . ?
C8 O8 C11 C12 -178.4(3) . . . . ?
Tb1 O9 C12 O10 -3.9(4) 4_576 . . . ?
Tb1 O9 C12 C11 176.7(3) 4_576 . . . ?
Tb1 O10 C12 O9 137.5(6) 2_646 . . . ?
Tb1 O10 C12 O9 3.4(4) 4_576 . . . ?
Tb1 O10 C12 C11 -43.1(9) 2_646 . . . ?
Tb1 O10 C12 C11 -177.2(3) 4_576 . . . ?
Tb1 O10 C12 Tb1 134.1(7) 2_646 . . 4_576 ?
C10 C11 C12 O9 160.1(4) . . . . ?
O8 C11 C12 O9 -20.7(5) . . . . ?
C10 C11 C12 O10 -19.3(7) . . . . ?
O8 C11 C12 O10 159.8(3) . . . . ?
Tb1 O11 C13 O12 81.6(5) . . . . ?
Tb1 O11 C13 C14 -98.1(4) . . . . ?
Zn1 O12 C13 O11 -0.3(6) . . . . ?
Zn1 O12 C13 C14 179.5(3) . . . . ?
C17 O13 C14 C15 0.1(5) . . . . ?
C17 O13 C14 C13 -175.8(4) . . . . ?
O11 C13 C14 C15 11.3(8) . . . . ?
O12 C13 C14 C15 -168.5(5) . . . . ?
O11 C13 C14 O13 -174.0(3) . . . . ?
O12 C13 C14 O13 6.2(6) . . . . ?
O13 C14 C15 C16 -0.3(5) . . . . ?
C13 C14 C15 C16 174.6(5) . . . . ?
C14 C15 C16 C17 0.5(5) . . . . ?
C15 C16 C17 O13 -0.5(5) . . . . ?
C15 C16 C17 C18 179.8(5) . . . . ?
C14 O13 C17 C16 0.3(5) . . . . ?
C14 O13 C17 C18 -179.9(4) . . . . ?
Zn1 O14 C18 O15 -3.5(7) 2_545 . . . ?
Zn1 O14 C18 C17 176.7(3) 2_545 . . . ?
C16 C17 C18 O15 -2.8(8) . . . . ?
O13 C17 C18 O15 177.4(4) . . . . ?
C16 C17 C18 O14 177.0(5) . . . . ?
O13 C17 C18 O14 -2.8(6) . . . . ?
Tb1 O16 C19 N1 -132.6(4) . . . . ?
O16 C19 N1 C20 -179.3(5) . . . . ?
O16 C19 N1 C21 7.8(8) . . . . ?
O17 C24 N3 C26 -10.5(15) . . . . ?
O17 C24 N3 C25 -171.8(10) . . . . ?
O17A C24A N3 C26 28.9(19) . . . . ?
O17A C24A N3 C25 177.2(15) . . . . ?

_refine_diff_density_max         1.490
_refine_diff_density_min         -1.219
_refine_diff_density_rms         0.127

