# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_aga3_tip
_database_code_depnum_ccdc_archive 'CCDC 1916723'
loop_
_audit_author_name
_audit_author_address
'Consiglia Tedesco'
;University of Salerno
Italy
;
_audit_update_record             
;
2019-05-17 deposited with the CCDC.	2019-10-04 downloaded from the CCDC.
;
_audit_creation_date             2019-04-19
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C33 H51 N3 Si2 Zn'
_chemical_formula_sum            'C33 H51 N3 Si2 Zn'
_chemical_formula_weight         611.31
_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 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn -1.5491 0.6778 '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/c 1'
_space_group_name_Hall           '-P 2ybc'
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                   13.188(4)
_cell_length_b                   10.266(4)
_cell_length_c                   26.260(16)
_cell_angle_alpha                90
_cell_angle_beta                 93.00(3)
_cell_angle_gamma                90
_cell_volume                     3550(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9879
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      52.69
_cell_measurement_theta_min      3.36
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.774
_exptl_absorpt_correction_T_max  0.7504
_exptl_absorpt_correction_T_min  0.1544
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1711 before and 0.0633 after correction.
The Ratio of minimum to maximum transmission is 0.2058.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.144
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             1312
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.26
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0407
_diffrn_reflns_av_unetI/netI     0.0292
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            21684
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        52.869
_diffrn_reflns_theta_max         52.869
_diffrn_reflns_theta_min         3.371
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3604
_reflns_number_total             4073
_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       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2007)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SIR2014 (Burla et al. 2015)'
_refine_diff_density_max         0.276
_refine_diff_density_min         -0.361
_refine_diff_density_rms         0.048
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     365
_refine_ls_number_reflns         4073
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0418
_refine_ls_R_factor_gt           0.0361
_refine_ls_restrained_S_all      1.035
_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)+(0.0519P)²+1.9608P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0945
_refine_ls_wR_factor_ref         0.0989
_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 Ternary CH refined with riding coordinates:
 C1(H1), C21(H21), C24(H24)
2.b Aromatic/amide H refined with riding coordinates:
 C5(H5), C3(H3), C4(H4), C17(H17), C19(H19), C9(H9), C18(H18), C10(H10),
 C11(H11)
2.c Idealised Me refined as rotating group:
 C27(H27A,H27B,H27C), C23(H23A,H23B,H23C), C13(H13A,H13B,H13C), C26(H26A,H26B,
 H26C), C14(H14A,H14B,H14C), C25(H25A,H25B,H25C), C22(H22A,H22B,H22C), C32(H32A,
 H32B,H32C), C31(H31A,H31B,H31C), C33(H33A,H33B,H33C), C29(H29A,H29B,H29C),
 C30(H30A,H30B,H30C), C28(H28A,H28B,H28C)
;
_atom_sites_solution_hydrogens   geom
_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
Zn1 Zn 0.72759(2) 0.73664(3) 0.38406(2) 0.04309(16) Uani 1 1 d . . . . .
Si1 Si 0.94386(6) 0.84377(10) 0.37577(4) 0.0671(3) Uani 1 1 d . . . . .
Si2 Si 0.85253(7) 0.64575(10) 0.29923(3) 0.0684(3) Uani 1 1 d . . . . .
N2 N 0.57488(15) 0.7911(2) 0.36115(8) 0.0418(5) Uani 1 1 d . . . . .
N1 N 0.66714(15) 0.6688(2) 0.44060(7) 0.0445(5) Uani 1 1 d . . . . .
N3 N 0.84816(16) 0.7488(2) 0.34966(9) 0.0526(6) Uani 1 1 d . . . . .
C15 C 0.71336(19) 0.6433(3) 0.48975(10) 0.0441(7) Uani 1 1 d . . . . .
C6 C 0.53485(19) 0.8684(3) 0.32335(10) 0.0473(7) Uani 1 1 d . . . . .
C16 C 0.7037(2) 0.7330(3) 0.52975(11) 0.0506(7) Uani 1 1 d . . . . .
C20 C 0.7710(2) 0.5299(3) 0.49896(10) 0.0503(7) Uani 1 1 d . . . . .
C1 C 0.55764(19) 0.6552(3) 0.43662(10) 0.0500(7) Uani 1 1 d . . . . .
H1 H 0.531032 0.686351 0.468578 0.060 Uiso 1 1 calc R . . . .
C7 C 0.60334(19) 0.9317(3) 0.28754(10) 0.0503(7) Uani 1 1 d . . . . .
C2 C 0.51203(19) 0.7374(3) 0.39404(10) 0.0450(7) Uani 1 1 d . . . . .
C5 C 0.4318(2) 0.8909(3) 0.31795(12) 0.0617(8) Uani 1 1 d . . . . .
H5 H 0.405840 0.944139 0.291757 0.074 Uiso 1 1 calc R . . . .
C3 C 0.4073(2) 0.7573(3) 0.38911(12) 0.0586(8) Uani 1 1 d . . . . .
H3 H 0.364846 0.717618 0.411669 0.070 Uiso 1 1 calc R . . . .
C4 C 0.3675(2) 0.8352(3) 0.35095(12) 0.0645(9) Uani 1 1 d . . . . .
H4 H 0.297963 0.850230 0.347444 0.077 Uiso 1 1 calc R . . . .
C17 C 0.7512(3) 0.7066(4) 0.57686(11) 0.0685(9) Uani 1 1 d . . . . .
H17 H 0.744490 0.765310 0.603425 0.082 Uiso 1 1 calc R . . . .
C21 C 0.6470(2) 0.8606(3) 0.52227(12) 0.0648(8) Uani 1 1 d . . . . .
H21 H 0.620890 0.864413 0.486669 0.078 Uiso 1 1 calc R . . . .
C24 C 0.7862(2) 0.4292(3) 0.45799(12) 0.0649(8) Uani 1 1 d . . . . .
H24 H 0.741991 0.452745 0.428237 0.078 Uiso 1 1 calc R . . . .
C19 C 0.8175(2) 0.5103(3) 0.54665(12) 0.0699(9) Uani 1 1 d . . . . .
H19 H 0.856700 0.435943 0.552563 0.084 Uiso 1 1 calc R . . . .
C8 C 0.6630(2) 1.0360(3) 0.30445(12) 0.0616(8) Uani 1 1 d . . . . .
C12 C 0.5993(2) 0.8932(3) 0.23628(11) 0.0667(9) Uani 1 1 d . . . . .
C27 C 0.5235(2) 0.5127(3) 0.42892(13) 0.0754(10) Uani 1 1 d . . . . .
H27A H 0.546015 0.481201 0.397001 0.113 Uiso 1 1 calc GR . . . .
H27B H 0.450796 0.508035 0.428758 0.113 Uiso 1 1 calc GR . . . .
H27C H 0.552469 0.460218 0.456215 0.113 Uiso 1 1 calc GR . . . .
C9 C 0.7211(3) 1.1007(4) 0.26920(17) 0.0833(11) Uani 1 1 d . . . . .
H9 H 0.762050 1.170530 0.279670 0.100 Uiso 1 1 calc R . . . .
C18 C 0.8074(3) 0.5971(4) 0.58528(12) 0.0788(10) Uani 1 1 d . . . . .
H18 H 0.838872 0.581504 0.617231 0.095 Uiso 1 1 calc R . . . .
C10 C 0.7178(3) 1.0612(5) 0.21927(17) 0.0903(12) Uani 1 1 d . . . . .
H10 H 0.757510 1.103894 0.196236 0.108 Uiso 1 1 calc R . . . .
C23 C 0.5564(3) 0.8713(3) 0.55606(14) 0.0811(10) Uani 1 1 d . . . . .
H23A H 0.511563 0.798915 0.549509 0.122 Uiso 1 1 calc GR . . . .
H23B H 0.520737 0.951140 0.548637 0.122 Uiso 1 1 calc GR . . . .
H23C H 0.580133 0.870619 0.591253 0.122 Uiso 1 1 calc GR . . . .
C13 C 0.6624(3) 1.0837(4) 0.35847(14) 0.0859(11) Uani 1 1 d . . . . .
H13A H 0.593529 1.094852 0.367853 0.129 Uiso 1 1 calc GR . . . .
H13B H 0.697423 1.165544 0.361344 0.129 Uiso 1 1 calc GR . . . .
H13C H 0.695790 1.021195 0.380762 0.129 Uiso 1 1 calc GR . . . .
C11 C 0.6574(3) 0.9607(5) 0.20287(14) 0.0864(12) Uani 1 1 d . . . . .
H11 H 0.655102 0.936994 0.168648 0.104 Uiso 1 1 calc R . . . .
C26 C 0.8948(3) 0.4282(4) 0.44143(15) 0.0951(12) Uani 1 1 d . . . . .
H26A H 0.911230 0.512156 0.428060 0.143 Uiso 1 1 calc GR . . . .
H26B H 0.901651 0.363208 0.415553 0.143 Uiso 1 1 calc GR . . . .
H26C H 0.940041 0.408539 0.470220 0.143 Uiso 1 1 calc GR . . . .
C14 C 0.5326(3) 0.7823(4) 0.21665(14) 0.0961(12) Uani 1 1 d . . . . .
H14A H 0.522883 0.721616 0.243777 0.144 Uiso 1 1 calc GR . . . .
H14B H 0.564589 0.738866 0.189365 0.144 Uiso 1 1 calc GR . . . .
H14C H 0.467988 0.816034 0.204342 0.144 Uiso 1 1 calc GR . . . .
C25 C 0.7552(3) 0.2924(4) 0.47523(16) 0.1000(13) Uani 1 1 d . . . . .
H25A H 0.799737 0.264917 0.503260 0.150 Uiso 1 1 calc GR . . . .
H25B H 0.759866 0.232447 0.447414 0.150 Uiso 1 1 calc GR . . . .
H25C H 0.686600 0.294564 0.485791 0.150 Uiso 1 1 calc GR . . . .
C22 C 0.7172(3) 0.9773(4) 0.53177(18) 0.1114(15) Uani 1 1 d . . . . .
H22A H 0.747197 0.973088 0.565829 0.167 Uiso 1 1 calc GR . . . .
H22B H 0.678756 1.056408 0.527635 0.167 Uiso 1 1 calc GR . . . .
H22C H 0.769725 0.975958 0.507811 0.167 Uiso 1 1 calc GR . . . .
C32 C 0.9552(3) 0.5209(5) 0.30440(16) 0.1164(16) Uani 1 1 d . . . . .
H32A H 1.019079 0.560901 0.298023 0.175 Uiso 1 1 calc GR . . . .
H32B H 0.941062 0.453253 0.279790 0.175 Uiso 1 1 calc GR . . . .
H32C H 0.958308 0.484109 0.338067 0.175 Uiso 1 1 calc GR . . . .
C31 C 0.8644(4) 0.7302(5) 0.23758(15) 0.1237(18) Uani 1 1 d . . . . .
H31A H 0.822344 0.806606 0.236516 0.186 Uiso 1 1 calc GR . . . .
H31B H 0.843104 0.672866 0.210192 0.186 Uiso 1 1 calc GR . . . .
H31C H 0.933860 0.754995 0.234054 0.186 Uiso 1 1 calc GR . . . .
C33 C 0.7329(3) 0.5487(5) 0.29550(17) 0.1157(15) Uani 1 1 d . . . . .
H33A H 0.723813 0.507501 0.327767 0.173 Uiso 1 1 calc GR . . . .
H33B H 0.736872 0.483330 0.269528 0.173 Uiso 1 1 calc GR . . . .
H33C H 0.676405 0.605206 0.287284 0.173 Uiso 1 1 calc GR . . . .
C29 C 1.0729(3) 0.7863(6) 0.3608(2) 0.139(2) Uani 1 1 d . . . . .
H29A H 1.078693 0.694819 0.367952 0.208 Uiso 1 1 calc GR . . . .
H29B H 1.123024 0.832983 0.381450 0.208 Uiso 1 1 calc GR . . . .
H29C H 1.083524 0.801556 0.325454 0.208 Uiso 1 1 calc GR . . . .
C30 C 0.9411(4) 0.8409(7) 0.44555(17) 0.162(3) Uani 1 1 d . . . . .
H30A H 0.885846 0.893750 0.456058 0.243 Uiso 1 1 calc GR . . . .
H30B H 1.003920 0.874568 0.460227 0.243 Uiso 1 1 calc GR . . . .
H30C H 0.931967 0.752977 0.456858 0.243 Uiso 1 1 calc GR . . . .
C28 C 0.9410(4) 1.0128(5) 0.3531(3) 0.165(3) Uani 1 1 d . . . . .
H28A H 0.920643 1.014484 0.317423 0.248 Uiso 1 1 calc GR . . . .
H28B H 1.007422 1.050498 0.358063 0.248 Uiso 1 1 calc GR . . . .
H28C H 0.893500 1.061992 0.371790 0.248 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
Zn1 Si2 2.9888(15) . ?
Zn1 N2 2.146(2) . ?
Zn1 N1 1.857(2) . ?
Zn1 N3 1.873(2) . ?
Si1 N3 1.710(3) . ?
Si1 C29 1.862(4) . ?
Si1 C30 1.835(5) . ?
Si1 C28 1.835(5) . ?
Si2 N3 1.699(3) . ?
Si2 C32 1.864(4) . ?
Si2 C31 1.850(4) . ?
Si2 C33 1.864(4) . ?
N2 C6 1.356(3) . ?
N2 C2 1.346(3) . ?
N1 C15 1.423(3) . ?
N1 C1 1.449(3) . ?
C15 C16 1.407(4) . ?
C15 C20 1.405(4) . ?
C6 C7 1.487(4) . ?
C6 C5 1.378(4) . ?
C16 C17 1.384(4) . ?
C16 C21 1.516(4) . ?
C20 C24 1.512(4) . ?
C20 C19 1.380(4) . ?
C1 H1 0.9800 . ?
C1 C2 1.501(4) . ?
C1 C27 1.540(4) . ?
C7 C8 1.388(4) . ?
C7 C12 1.401(4) . ?
C2 C3 1.395(4) . ?
C5 H5 0.9300 . ?
C5 C4 1.368(4) . ?
C3 H3 0.9300 . ?
C3 C4 1.366(4) . ?
C4 H4 0.9300 . ?
C17 H17 0.9300 . ?
C17 C18 1.358(5) . ?
C21 H21 0.9800 . ?
C21 C23 1.529(4) . ?
C21 C22 1.527(5) . ?
C24 H24 0.9800 . ?
C24 C26 1.518(5) . ?
C24 C25 1.537(5) . ?
C19 H19 0.9300 . ?
C19 C18 1.362(5) . ?
C8 C9 1.400(5) . ?
C8 C13 1.501(5) . ?
C12 C11 1.380(5) . ?
C12 C14 1.513(5) . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C9 H9 0.9300 . ?
C9 C10 1.371(5) . ?
C18 H18 0.9300 . ?
C10 H10 0.9300 . ?
C10 C11 1.361(5) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C11 H11 0.9300 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 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
N2 Zn1 Si2 114.73(7) . . ?
N1 Zn1 Si2 139.05(8) . . ?
N1 Zn1 N2 83.46(9) . . ?
N1 Zn1 N3 145.20(10) . . ?
N3 Zn1 Si2 31.41(8) . . ?
N3 Zn1 N2 130.93(9) . . ?
N3 Si1 C29 113.50(19) . . ?
N3 Si1 C30 109.78(17) . . ?
N3 Si1 C28 114.01(18) . . ?
C30 Si1 C29 105.7(3) . . ?
C30 Si1 C28 109.8(3) . . ?
C28 Si1 C29 103.6(3) . . ?
N3 Si2 Zn1 35.09(8) . . ?
N3 Si2 C32 115.19(17) . . ?
N3 Si2 C31 113.46(18) . . ?
N3 Si2 C33 108.11(15) . . ?
C32 Si2 Zn1 125.93(14) . . ?
C31 Si2 Zn1 125.51(14) . . ?
C31 Si2 C32 107.0(2) . . ?
C31 Si2 C33 108.3(2) . . ?
C33 Si2 Zn1 73.02(12) . . ?
C33 Si2 C32 104.2(2) . . ?
C6 N2 Zn1 132.96(17) . . ?
C2 N2 Zn1 108.30(17) . . ?
C2 N2 C6 118.7(2) . . ?
C15 N1 Zn1 127.79(16) . . ?
C15 N1 C1 115.20(19) . . ?
C1 N1 Zn1 116.51(16) . . ?
Si1 N3 Zn1 118.17(13) . . ?
Si2 N3 Zn1 113.50(13) . . ?
Si2 N3 Si1 127.83(14) . . ?
C16 C15 N1 120.4(2) . . ?
C20 C15 N1 120.7(2) . . ?
C20 C15 C16 118.9(2) . . ?
N2 C6 C7 119.5(2) . . ?
N2 C6 C5 121.1(2) . . ?
C5 C6 C7 119.3(2) . . ?
C15 C16 C21 122.1(3) . . ?
C17 C16 C15 119.0(3) . . ?
C17 C16 C21 118.8(3) . . ?
C15 C20 C24 122.3(2) . . ?
C19 C20 C15 119.2(3) . . ?
C19 C20 C24 118.5(3) . . ?
N1 C1 H1 107.9 . . ?
N1 C1 C2 111.0(2) . . ?
N1 C1 C27 112.6(2) . . ?
C2 C1 H1 107.9 . . ?
C2 C1 C27 109.5(2) . . ?
C27 C1 H1 107.9 . . ?
C8 C7 C6 119.2(3) . . ?
C8 C7 C12 121.1(3) . . ?
C12 C7 C6 119.4(3) . . ?
N2 C2 C1 118.2(2) . . ?
N2 C2 C3 121.4(3) . . ?
C3 C2 C1 120.5(2) . . ?
C6 C5 H5 119.8 . . ?
C4 C5 C6 120.3(3) . . ?
C4 C5 H5 119.8 . . ?
C2 C3 H3 120.2 . . ?
C4 C3 C2 119.6(3) . . ?
C4 C3 H3 120.2 . . ?
C5 C4 H4 120.6 . . ?
C3 C4 C5 118.8(3) . . ?
C3 C4 H4 120.6 . . ?
C16 C17 H17 119.1 . . ?
C18 C17 C16 121.7(3) . . ?
C18 C17 H17 119.1 . . ?
C16 C21 H21 107.7 . . ?
C16 C21 C23 112.4(3) . . ?
C16 C21 C22 111.5(3) . . ?
C23 C21 H21 107.7 . . ?
C22 C21 H21 107.7 . . ?
C22 C21 C23 109.5(3) . . ?
C20 C24 H24 107.7 . . ?
C20 C24 C26 111.7(3) . . ?
C20 C24 C25 111.6(3) . . ?
C26 C24 H24 107.7 . . ?
C26 C24 C25 110.3(3) . . ?
C25 C24 H24 107.7 . . ?
C20 C19 H19 119.2 . . ?
C18 C19 C20 121.6(3) . . ?
C18 C19 H19 119.2 . . ?
C7 C8 C9 118.4(3) . . ?
C7 C8 C13 121.5(3) . . ?
C9 C8 C13 120.0(3) . . ?
C7 C12 C14 122.1(3) . . ?
C11 C12 C7 118.4(3) . . ?
C11 C12 C14 119.5(3) . . ?
C1 C27 H27A 109.5 . . ?
C1 C27 H27B 109.5 . . ?
C1 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C8 C9 H9 120.0 . . ?
C10 C9 C8 120.1(4) . . ?
C10 C9 H9 120.0 . . ?
C17 C18 C19 119.6(3) . . ?
C17 C18 H18 120.2 . . ?
C19 C18 H18 120.2 . . ?
C9 C10 H10 119.5 . . ?
C11 C10 C9 121.1(3) . . ?
C11 C10 H10 119.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C8 C13 H13A 109.5 . . ?
C8 C13 H13B 109.5 . . ?
C8 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C11 H11 119.5 . . ?
C10 C11 C12 121.0(4) . . ?
C10 C11 H11 119.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si2 C32 H32A 109.5 . . ?
Si2 C32 H32B 109.5 . . ?
Si2 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
Si2 C31 H31A 109.5 . . ?
Si2 C31 H31B 109.5 . . ?
Si2 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
Si2 C33 H33A 109.5 . . ?
Si2 C33 H33B 109.5 . . ?
Si2 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
Si1 C29 H29A 109.5 . . ?
Si1 C29 H29B 109.5 . . ?
Si1 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Si1 C30 H30A 109.5 . . ?
Si1 C30 H30B 109.5 . . ?
Si1 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Si1 C28 H28A 109.5 . . ?
Si1 C28 H28B 109.5 . . ?
Si1 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: hexane'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
####################################################################### 
# 
# 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_trig2_ref
_database_code_depnum_ccdc_archive 'CCDC 1916724'
loop_
_audit_author_name
_audit_author_address
'Consiglia Tedesco'
;University of Salerno
Italy
;
_audit_update_record             
;
2019-05-17 deposited with the CCDC.	2019-10-04 downloaded from the CCDC.
;
_audit_creation_date             2019-04-19
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C28 H36 N2 Zn'
_chemical_formula_sum            'C28 H36 N2 Zn'
_chemical_formula_weight         465.96
_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'
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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.671(4)
_cell_length_b                   8.736(3)
_cell_length_c                   19.457(10)
_cell_angle_alpha                78.79(3)
_cell_angle_beta                 84.49(4)
_cell_angle_gamma                67.01(3)
_cell_volume                     1330.6(11)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2402
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      2.1345
_cell_measurement_theta_min      28.0369
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.938
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.3372
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.163
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             496
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.27
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1245
_diffrn_reflns_av_unetI/netI     0.2804
_diffrn_reflns_Laue_measured_fraction_full 0.970
_diffrn_reflns_Laue_measured_fraction_max 0.881
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            11078
_diffrn_reflns_point_group_measured_fraction_full 0.970
_diffrn_reflns_point_group_measured_fraction_max 0.881
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.685
_diffrn_reflns_theta_min         1.067
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.881
_diffrn_measurement_device_type  'Rigaku AFC7S'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed tube'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1535
_reflns_number_total             6042
_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       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2007)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SIR2014 (Burla et al. 2015)'
_refine_diff_density_max         0.400
_refine_diff_density_min         -0.425
_refine_diff_density_rms         0.097
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.994
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     286
_refine_ls_number_reflns         6042
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.3627
_refine_ls_R_factor_gt           0.1157
_refine_ls_restrained_S_all      0.994
_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)+(0.1422P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2698
_refine_ls_wR_factor_ref         0.4085
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C24(H24), C21(H21)
2.b Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C27(H27A,H27B)
2.c Me refined with riding coordinates:
 C28(H28A,H28B,H28C)
2.d Aromatic/amide H refined with riding coordinates:
 C18(H18), C19(H19), C4(H4), C17(H17), C3(H3), C5(H5), C11(H11), C9(H9),
 C10(H10)
2.e Idealised Me refined as rotating group:
 C26(H26A,H26B,H26C), C14(H14A,H14B,H14C), C13(H13A,H13B,H13C), C22(H22A,H22B,
 H22C), C25(H25A,H25B,H25C), C23(H23A,H23B,H23C)
;
_atom_sites_solution_hydrogens   geom
_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
Zn1 Zn 0.03676(19) 0.3895(2) 0.27834(7) 0.1041(8) Uani 1 1 d . . . . .
N1 N 0.0474(11) 0.4454(10) 0.1809(4) 0.071(2) Uani 1 1 d . . . . .
C16 C -0.0338(14) 0.7357(14) 0.1209(5) 0.068(3) Uani 1 1 d . . . . .
C15 C -0.0574(13) 0.5834(13) 0.1358(5) 0.062(3) Uani 1 1 d . . . . .
N2 N 0.2628(10) 0.1931(10) 0.2641(5) 0.071(2) Uani 1 1 d . . . . .
C18 C -0.2665(12) 0.8584(12) 0.0434(6) 0.064(3) Uani 1 1 d . . . . .
H18 H -0.335345 0.951218 0.013132 0.076 Uiso 1 1 calc R . . . .
C19 C -0.2946(14) 0.7133(16) 0.0590(6) 0.078(3) Uani 1 1 d . . . . .
H19 H -0.383182 0.706068 0.038271 0.093 Uiso 1 1 calc R . . . .
C1 C 0.1873(14) 0.3301(13) 0.1461(6) 0.076(3) Uani 1 1 d . . . . .
H1A H 0.248466 0.392708 0.117509 0.091 Uiso 1 1 calc R . . . .
H1B H 0.144571 0.282018 0.115034 0.091 Uiso 1 1 calc R . . . .
C2 C 0.3044(13) 0.1909(12) 0.1957(6) 0.064(3) Uani 1 1 d . . . . .
C20 C -0.1917(13) 0.5712(12) 0.1065(5) 0.067(3) Uani 1 1 d . . . . .
C12 C 0.3491(19) 0.1975(17) 0.4154(9) 0.107(4) Uani 1 1 d . . . . .
C4 C 0.5502(17) -0.0593(14) 0.2243(9) 0.106(5) Uani 1 1 d . . . . .
H4 H 0.648510 -0.141988 0.210953 0.127 Uiso 1 1 calc R . . . .
C17 C -0.1362(16) 0.8633(13) 0.0732(6) 0.080(3) Uani 1 1 d . . . . .
H17 H -0.113437 0.960775 0.060626 0.096 Uiso 1 1 calc R . . . .
C24 C 0.1029(17) 0.7616(16) 0.1552(7) 0.099(4) Uani 1 1 d . . . . .
H24 H 0.180271 0.648310 0.174948 0.118 Uiso 1 1 calc R . . . .
C7 C 0.3211(15) 0.0754(17) 0.3883(7) 0.087(4) Uani 1 1 d . . . . .
C26 C 0.2062(17) 0.8391(16) 0.1080(8) 0.111(4) Uani 1 1 d . . . . .
H26A H 0.244072 0.782402 0.068346 0.167 Uiso 1 1 calc GR . . . .
H26B H 0.301183 0.829194 0.132722 0.167 Uiso 1 1 calc GR . . . .
H26C H 0.140454 0.956236 0.092230 0.167 Uiso 1 1 calc GR . . . .
C3 C 0.4466(16) 0.0611(15) 0.1747(7) 0.088(4) Uani 1 1 d . . . . .
H3 H 0.470520 0.056630 0.127381 0.106 Uiso 1 1 calc R . . . .
C5 C 0.5068(17) -0.0561(15) 0.2935(7) 0.096(4) Uani 1 1 d . . . . .
H5 H 0.573370 -0.139918 0.327616 0.116 Uiso 1 1 calc R . . . .
C11 C 0.305(2) 0.206(3) 0.4877(11) 0.142(6) Uani 1 1 d . . . . .
H11 H 0.313626 0.291178 0.507342 0.170 Uiso 1 1 calc R . . . .
C8 C 0.2563(18) -0.0302(18) 0.4288(8) 0.105(4) Uani 1 1 d . . . . .
C6 C 0.3682(14) 0.0680(15) 0.3124(7) 0.087(3) Uani 1 1 d . . . . .
C21 C -0.2327(16) 0.4147(15) 0.1246(7) 0.092(4) Uani 1 1 d . . . . .
H21 H -0.131286 0.322122 0.144116 0.110 Uiso 1 1 calc R . . . .
C9 C 0.215(2) -0.012(2) 0.4994(7) 0.131(6) Uani 1 1 d . . . . .
H9 H 0.160526 -0.077031 0.526474 0.157 Uiso 1 1 calc R . . . .
C14 C 0.418(2) 0.3165(19) 0.3762(9) 0.138(6) Uani 1 1 d . . . . .
H14A H 0.513134 0.258169 0.348499 0.206 Uiso 1 1 calc GR . . . .
H14B H 0.452838 0.367186 0.408270 0.206 Uiso 1 1 calc GR . . . .
H14C H 0.334541 0.402662 0.346064 0.206 Uiso 1 1 calc GR . . . .
C10 C 0.250(3) 0.092(3) 0.5276(11) 0.142(7) Uani 1 1 d . . . . .
H10 H 0.236643 0.089225 0.575776 0.171 Uiso 1 1 calc R . . . .
C13 C 0.230(3) -0.167(2) 0.3989(8) 0.160(7) Uani 1 1 d . . . . .
H13A H 0.164998 -0.117239 0.357205 0.241 Uiso 1 1 calc GR . . . .
H13B H 0.171135 -0.221342 0.432938 0.241 Uiso 1 1 calc GR . . . .
H13C H 0.336461 -0.249428 0.387678 0.241 Uiso 1 1 calc GR . . . .
C22 C -0.368(2) 0.438(2) 0.1828(9) 0.160(7) Uani 1 1 d . . . . .
H22A H -0.330979 0.465854 0.221999 0.240 Uiso 1 1 calc GR . . . .
H22B H -0.386621 0.335225 0.197170 0.240 Uiso 1 1 calc GR . . . .
H22C H -0.469620 0.527560 0.165592 0.240 Uiso 1 1 calc GR . . . .
C25 C 0.032(2) 0.852(2) 0.2171(9) 0.153(6) Uani 1 1 d . . . . .
H25A H -0.048861 0.962451 0.201126 0.230 Uiso 1 1 calc GR . . . .
H25B H 0.121162 0.860635 0.239732 0.230 Uiso 1 1 calc GR . . . .
H25C H -0.020756 0.788701 0.249830 0.230 Uiso 1 1 calc GR . . . .
C23 C -0.278(3) 0.362(2) 0.0623(9) 0.174(8) Uani 1 1 d . . . . .
H23A H -0.375294 0.451843 0.040683 0.261 Uiso 1 1 calc GR . . . .
H23B H -0.302392 0.262646 0.077641 0.261 Uiso 1 1 calc GR . . . .
H23C H -0.186282 0.339652 0.029106 0.261 Uiso 1 1 calc GR . . . .
C27 C -0.081(3) 0.459(5) 0.3666(10) 0.31(2) Uani 1 1 d . . . . .
H27A H 0.005321 0.414532 0.401457 0.371 Uiso 1 1 calc R . . . .
H27B H -0.115943 0.580386 0.359026 0.371 Uiso 1 1 calc R . . . .
C28 C -0.185(5) 0.434(5) 0.3922(15) 0.36(3) Uani 1 1 d . . . . .
H28A H -0.214379 0.483730 0.433938 0.543 Uiso 1 1 calc R . . . .
H28B H -0.278299 0.482543 0.361438 0.543 Uiso 1 1 calc R . . . .
H28C H -0.155542 0.314647 0.404392 0.543 Uiso 1 1 calc R . . . .


_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
Zn1 N1 1.867(8) . ?
Zn1 N2 2.078(8) . ?
Zn1 C27 1.99(2) . ?
N1 C15 1.390(12) . ?
N1 C1 1.448(13) . ?
C16 C15 1.396(13) . ?
C16 C17 1.370(14) . ?
C16 C24 1.524(15) . ?
C15 C20 1.394(13) . ?
N2 C2 1.348(13) . ?
N2 C6 1.377(13) . ?
C18 C19 1.355(13) . ?
C18 C17 1.337(14) . ?
C19 C20 1.427(14) . ?
C1 C2 1.486(13) . ?
C2 C3 1.401(14) . ?
C20 C21 1.513(14) . ?
C12 C7 1.385(17) . ?
C12 C11 1.43(2) . ?
C12 C14 1.453(19) . ?
C4 C3 1.369(16) . ?
C4 C5 1.366(17) . ?
C24 C26 1.475(17) . ?
C24 C25 1.516(19) . ?
C7 C8 1.351(17) . ?
C7 C6 1.502(16) . ?
C5 C6 1.344(15) . ?
C11 C10 1.35(2) . ?
C8 C9 1.410(19) . ?
C8 C13 1.529(19) . ?
C21 C22 1.528(19) . ?
C21 C23 1.511(17) . ?
C9 C10 1.29(2) . ?
C27 C28 1.06(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Zn1 N2 83.7(4) . . ?
N1 Zn1 C27 146.4(9) . . ?
C27 Zn1 N2 129.5(8) . . ?
C15 N1 Zn1 129.9(7) . . ?
C15 N1 C1 114.2(8) . . ?
C1 N1 Zn1 115.9(6) . . ?
C15 C16 C24 121.9(10) . . ?
C17 C16 C15 118.2(9) . . ?
C17 C16 C24 119.9(10) . . ?
N1 C15 C16 121.3(9) . . ?
N1 C15 C20 119.5(9) . . ?
C20 C15 C16 119.2(9) . . ?
C2 N2 Zn1 111.7(7) . . ?
C2 N2 C6 117.8(9) . . ?
C6 N2 Zn1 130.5(8) . . ?
C17 C18 C19 117.5(10) . . ?
C18 C19 C20 121.7(10) . . ?
N1 C1 C2 113.1(9) . . ?
N2 C2 C1 115.5(10) . . ?
N2 C2 C3 120.6(10) . . ?
C3 C2 C1 123.9(11) . . ?
C15 C20 C19 118.2(10) . . ?
C15 C20 C21 122.0(9) . . ?
C19 C20 C21 119.7(10) . . ?
C7 C12 C11 116.6(14) . . ?
C7 C12 C14 125.2(16) . . ?
C11 C12 C14 118.1(15) . . ?
C5 C4 C3 119.0(13) . . ?
C18 C17 C16 124.9(10) . . ?
C26 C24 C16 116.3(11) . . ?
C26 C24 C25 111.9(12) . . ?
C25 C24 C16 110.7(11) . . ?
C12 C7 C6 116.0(14) . . ?
C8 C7 C12 121.1(14) . . ?
C8 C7 C6 122.9(13) . . ?
C4 C3 C2 119.8(12) . . ?
C6 C5 C4 120.1(11) . . ?
C10 C11 C12 120.6(17) . . ?
C7 C8 C9 118.5(14) . . ?
C7 C8 C13 120.8(14) . . ?
C9 C8 C13 120.7(15) . . ?
N2 C6 C7 116.7(10) . . ?
C5 C6 N2 122.5(12) . . ?
C5 C6 C7 120.7(11) . . ?
C20 C21 C22 109.4(10) . . ?
C23 C21 C20 114.0(11) . . ?
C23 C21 C22 112.4(13) . . ?
C10 C9 C8 121.8(19) . . ?
C9 C10 C11 121(2) . . ?
C28 C27 Zn1 128(4) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: hexane'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
