# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A.
# 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 
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data_c3313-80du_sqd
_database_code_depnum_ccdc_archive 'CCDC 1825682'
_audit_update_record             
;
2018-02-26 deposited with the CCDC.
2018-04-25 downloaded from the CCDC.
;
_audit_creation_date             2017-08-31
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.5(C108 H84 N28 O4 Zn4), 0.5(N2 O6)'
_chemical_formula_sum            'C54 H42 N15 O5 Zn2'
_chemical_formula_weight         1111.76
_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'
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      orthorhombic
_space_group_IT_number           52
_space_group_name_H-M_alt        'P n n a'
_space_group_name_Hall           '-P 2a 2bc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z'
'-x+1/2, y+1/2, -z+1/2'
'x, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z'
'x-1/2, -y-1/2, z-1/2'
'-x, y-1/2, z-1/2'

_cell_length_a                   28.6596(7)
_cell_length_b                   27.8917(8)
_cell_length_c                   9.5500(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     7633.9(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    16400
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.6740
_cell_measurement_theta_min      3.5880
_shelx_estimated_absorpt_T_max   0.889
_shelx_estimated_absorpt_T_min   0.889
_exptl_absorpt_coefficient_mu    0.672
_exptl_absorpt_correction_T_max  0.886
_exptl_absorpt_correction_T_min  0.886
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41r (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_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    0.967
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2284
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.18
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0395
_diffrn_reflns_av_unetI/netI     0.0252
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            55335
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        24.997
_diffrn_reflns_theta_max         24.997
_diffrn_reflns_theta_min         3.351
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'SuperNova, Single source at offset, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4978
_reflns_number_total             6731
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_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    'SIR2004 (Burla et al., 2007)'
_refine_diff_density_max         1.549
_refine_diff_density_min         -0.614
_refine_diff_density_rms         0.089
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     338
_refine_ls_number_reflns         6702
_refine_ls_number_restraints     7
_refine_ls_R_factor_all          0.1015
_refine_ls_R_factor_gt           0.0840
_refine_ls_restrained_S_all      1.070
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1770P)²+6.0400P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2605
_refine_ls_wR_factor_ref         0.2745
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Rigid bond restraints
 Zn1, O1W
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
3. Uiso/Uaniso restraints and constraints
Uanis(O1W) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Others
 Fixed Sof: O2(0.5) O1(0.5) O3(0.5)
5.a Aromatic/amide H refined with riding coordinates:
 C15(H15), C14(H14), C12(H12), C10(H10), C6(H6), C11(H11), C5(H5), C24(H24),
 C18(H18), C19(H19), C9(H9), C17(H17), C8(H8), C1(H1), C23(H23), C2(H2), C3(H3),
  C27(H27), C26(H26), C21(H21), C20(H20)
;
_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 0.63096(2) 0.48998(2) 0.90184(7) 0.0617(3) Uani 1 1 d . U . . .
N4 N 0.39424(12) 0.84438(12) 0.3794(3) 0.0494(8) Uani 1 1 d . . . . .
N2 N 0.51178(13) 0.57267(14) 0.9040(4) 0.0560(9) Uani 1 1 d . . . . .
N3 N 0.38854(13) 0.92207(13) 0.3588(4) 0.0559(9) Uani 1 1 d . . . . .
N1 N 0.57405(13) 0.52925(15) 0.9403(4) 0.0604(10) Uani 1 1 d . . . . .
N7 N 0.36648(12) 0.65935(15) 0.5979(4) 0.0580(10) Uani 1 1 d . . . . .
N6 N 0.20984(14) 0.55594(17) 0.4085(4) 0.0658(11) Uani 1 1 d . . . . .
N5 N 0.16163(14) 0.51737(15) 0.2691(5) 0.0680(11) Uani 1 1 d . . . . .
C4 C 0.47294(14) 0.59395(16) 0.8317(5) 0.0525(10) Uani 1 1 d . . . . .
C15 C 0.41697(15) 0.71995(15) 0.4924(4) 0.0497(10) Uani 1 1 d . . . . .
H15 H 0.4418 0.6985 0.4960 0.060 Uiso 1 1 calc R . . . .
C14 C 0.42375(15) 0.76516(15) 0.4371(4) 0.0499(10) Uani 1 1 d . . . . .
H14 H 0.4530 0.7744 0.4051 0.060 Uiso 1 1 calc R . . . .
C13 C 0.38668(15) 0.79633(15) 0.4300(4) 0.0492(10) Uani 1 1 d . . . . .
C7 C 0.40198(14) 0.63690(15) 0.6788(4) 0.0500(10) Uani 1 1 d . . . . .
C12 C 0.42707(15) 0.85822(17) 0.2848(5) 0.0566(11) Uani 1 1 d . . . . .
H12 H 0.4481 0.8385 0.2382 0.068 Uiso 1 1 calc R . . . .
C10 C 0.37202(15) 0.88437(17) 0.4228(5) 0.0521(11) Uani 1 1 d . . . . .
H10 H 0.3482 0.8850 0.4890 0.062 Uiso 1 1 calc R . . . .
C6 C 0.42974(15) 0.66358(16) 0.7662(4) 0.0520(10) Uani 1 1 d . . . . .
H6 H 0.4243 0.6963 0.7757 0.062 Uiso 1 1 calc R . . . .
C16 C 0.37379(15) 0.70607(16) 0.5423(5) 0.0523(10) Uani 1 1 d . . . . .
C22 C 0.24991(15) 0.58241(17) 0.4565(6) 0.0621(12) Uani 1 1 d . . . . .
C11 C 0.42302(17) 0.90597(18) 0.2720(5) 0.0625(12) Uani 1 1 d . . . . .
H11 H 0.4409 0.9251 0.2132 0.075 Uiso 1 1 calc R . . . .
C25 C 0.32710(15) 0.63263(16) 0.5503(5) 0.0545(11) Uani 1 1 d . . . . .
C5 C 0.46543(15) 0.64261(16) 0.8398(5) 0.0553(11) Uani 1 1 d . . . . .
H5 H 0.4847 0.6614 0.8956 0.066 Uiso 1 1 calc R . . . .
C24 C 0.31546(16) 0.6329(2) 0.4114(5) 0.0664(14) Uani 1 1 d . . . . .
H24 H 0.3338 0.6499 0.3484 0.080 Uiso 1 1 calc R . . . .
C18 C 0.34296(16) 0.78336(17) 0.4807(6) 0.0641(12) Uani 1 1 d . . . . .
H18 H 0.3181 0.8047 0.4772 0.077 Uiso 1 1 calc R . . . .
C19 C 0.20203(15) 0.53975(17) 0.2768(6) 0.0659(13) Uani 1 1 d . . . . .
H19 H 0.2224 0.5439 0.2020 0.079 Uiso 1 1 calc R . . . .
C9 C 0.44410(16) 0.56636(18) 0.7500(6) 0.0668(13) Uani 1 1 d . . . . .
H9 H 0.4481 0.5333 0.7467 0.080 Uiso 1 1 calc R . . . .
C17 C 0.33740(16) 0.73798(18) 0.5365(6) 0.0678(13) Uani 1 1 d . . . . .
H17 H 0.3084 0.7289 0.5708 0.081 Uiso 1 1 calc R . . . .
C8 C 0.40913(17) 0.58797(16) 0.6727(6) 0.0679(13) Uani 1 1 d . . . . .
H8 H 0.3901 0.5693 0.6156 0.081 Uiso 1 1 calc R . . . .
C1 C 0.54055(17) 0.53970(18) 0.8517(6) 0.0651(13) Uani 1 1 d . . . . .
H1 H 0.5373 0.5259 0.7636 0.078 Uiso 1 1 calc R . . . .
C23 C 0.27672(18) 0.6080(2) 0.3630(6) 0.0713(14) Uani 1 1 d . . . . .
H23 H 0.2690 0.6086 0.2685 0.086 Uiso 1 1 calc R . . . .
C2 C 0.56543(19) 0.5570(2) 1.0564(6) 0.0803(16) Uani 1 1 d . . . . .
H2 H 0.5833 0.5571 1.1376 0.096 Uiso 1 1 calc R . . . .
C3 C 0.52804(19) 0.5833(2) 1.0353(6) 0.0822(17) Uani 1 1 d . . . . .
H3 H 0.5151 0.6051 1.0978 0.099 Uiso 1 1 calc R . . . .
C27 C 0.2608(2) 0.5829(3) 0.5945(6) 0.093(2) Uani 1 1 d . . . . .
H27 H 0.2420 0.5666 0.6582 0.112 Uiso 1 1 calc R . . . .
C26 C 0.2998(2) 0.6076(3) 0.6411(6) 0.096(2) Uani 1 1 d . . . . .
H26 H 0.3074 0.6070 0.7358 0.116 Uiso 1 1 calc R . . . .
O1W O 0.6727(4) 0.4881(4) 1.0876(8) 0.221(5) Uani 1 1 d . U . . .
C21 C 0.1728(2) 0.5424(3) 0.4859(7) 0.108(3) Uani 1 1 d . . . . .
H21 H 0.1679 0.5481 0.5807 0.130 Uiso 1 1 calc R . . . .
C20 C 0.1440(3) 0.5185(3) 0.3960(8) 0.106(3) Uani 1 1 d . . . . .
H20 H 0.1156 0.5049 0.4213 0.128 Uiso 1 1 calc R . . . .
O2 O 0.5260(4) 0.4826(4) 0.5759(9) 0.088(3) Uiso 0.5 1 d . . . . .
N8 N 0.5000 0.5000 0.5000 0.147(4) Uiso 1 2 d S T P . .
O1 O 0.4820(8) 0.4622(9) 0.580(2) 0.221(8) Uiso 0.5 1 d . . . . .
O3 O 0.5394(5) 0.5041(5) 0.5405(15) 0.131(4) Uiso 0.5 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
Zn1 N3 2.017(4) 8_656 ?
Zn1 N1 1.999(4) . ?
Zn1 N5 2.005(4) 6_656 ?
Zn1 O1W 2.140(7) . ?
N4 C13 1.441(5) . ?
N4 C12 1.360(6) . ?
N4 C10 1.349(6) . ?
N2 C4 1.438(6) . ?
N2 C1 1.332(6) . ?
N2 C3 1.370(7) . ?
N3 Zn1 2.017(4) 8_665 ?
N3 C10 1.305(6) . ?
N3 C11 1.366(6) . ?
N1 C1 1.313(6) . ?
N1 C2 1.374(7) . ?
N7 C7 1.423(5) . ?
N7 C16 1.422(6) . ?
N7 C25 1.427(6) . ?
N6 C22 1.440(6) . ?
N6 C19 1.356(7) . ?
N6 C21 1.348(7) . ?
N5 Zn1 2.005(4) 6_556 ?
N5 C19 1.318(6) . ?
N5 C20 1.314(8) . ?
C4 C5 1.376(6) . ?
C4 C9 1.372(7) . ?
C15 H15 0.9300 . ?
C15 C14 1.381(6) . ?
C15 C16 1.381(6) . ?
C14 H14 0.9300 . ?
C14 C13 1.374(6) . ?
C13 C18 1.391(6) . ?
C7 C6 1.372(6) . ?
C7 C8 1.381(6) . ?
C12 H12 0.9300 . ?
C12 C11 1.342(7) . ?
C10 H10 0.9300 . ?
C6 H6 0.9300 . ?
C6 C5 1.372(6) . ?
C16 C17 1.372(6) . ?
C22 C23 1.377(7) . ?
C22 C27 1.354(8) . ?
C11 H11 0.9300 . ?
C25 C24 1.368(6) . ?
C25 C26 1.362(7) . ?
C5 H5 0.9300 . ?
C24 H24 0.9300 . ?
C24 C23 1.388(7) . ?
C18 H18 0.9300 . ?
C18 C17 1.382(7) . ?
C19 H19 0.9300 . ?
C9 H9 0.9300 . ?
C9 C8 1.383(7) . ?
C17 H17 0.9300 . ?
C8 H8 0.9300 . ?
C1 H1 0.9300 . ?
C23 H23 0.9300 . ?
C2 H2 0.9300 . ?
C2 C3 1.315(7) . ?
C3 H3 0.9300 . ?
C27 H27 0.9300 . ?
C27 C26 1.387(8) . ?
C26 H26 0.9300 . ?
C21 H21 0.9300 . ?
C21 C20 1.364(9) . ?
C20 H20 0.9300 . ?
O2 N8 1.147(9) . ?
N8 O2 1.147(9) 5_666 ?
N8 O1 1.40(2) . ?
N8 O1 1.40(2) 5_666 ?
N8 O3 1.198(15) . ?
N8 O3 1.198(15) 5_666 ?
O1 O3 1.61(2) 5_666 ?
O3 O1 1.61(2) 5_666 ?

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
N3 Zn1 O1W 107.5(3) 8_656 . ?
N1 Zn1 N3 109.01(16) . 8_656 ?
N1 Zn1 N5 107.36(17) . 6_656 ?
N1 Zn1 O1W 108.5(4) . . ?
N5 Zn1 N3 108.27(17) 6_656 8_656 ?
N5 Zn1 O1W 116.0(3) 6_656 . ?
C12 N4 C13 126.2(4) . . ?
C10 N4 C13 126.5(4) . . ?
C10 N4 C12 107.2(4) . . ?
C1 N2 C4 125.7(4) . . ?
C1 N2 C3 106.4(4) . . ?
C3 N2 C4 127.8(4) . . ?
C10 N3 Zn1 124.1(3) . 8_665 ?
C10 N3 C11 106.4(4) . . ?
C11 N3 Zn1 129.3(3) . 8_665 ?
C1 N1 Zn1 126.9(3) . . ?
C1 N1 C2 105.3(4) . . ?
C2 N1 Zn1 127.1(3) . . ?
C7 N7 C25 120.6(4) . . ?
C16 N7 C7 120.0(3) . . ?
C16 N7 C25 118.4(3) . . ?
C19 N6 C22 126.7(4) . . ?
C21 N6 C22 126.7(5) . . ?
C21 N6 C19 106.6(4) . . ?
C19 N5 Zn1 127.7(4) . 6_556 ?
C20 N5 Zn1 126.3(4) . 6_556 ?
C20 N5 C19 106.0(5) . . ?
C5 C4 N2 120.1(4) . . ?
C9 C4 N2 120.5(4) . . ?
C9 C4 C5 119.4(4) . . ?
C14 C15 H15 119.5 . . ?
C14 C15 C16 120.9(4) . . ?
C16 C15 H15 119.5 . . ?
C15 C14 H14 120.4 . . ?
C13 C14 C15 119.2(4) . . ?
C13 C14 H14 120.4 . . ?
C14 C13 N4 119.2(4) . . ?
C14 C13 C18 121.0(4) . . ?
C18 C13 N4 119.6(4) . . ?
C6 C7 N7 120.4(4) . . ?
C6 C7 C8 118.4(4) . . ?
C8 C7 N7 121.2(4) . . ?
N4 C12 H12 126.8 . . ?
C11 C12 N4 106.4(4) . . ?
C11 C12 H12 126.8 . . ?
N4 C10 H10 124.7 . . ?
N3 C10 N4 110.6(4) . . ?
N3 C10 H10 124.7 . . ?
C7 C6 H6 119.6 . . ?
C5 C6 C7 120.8(4) . . ?
C5 C6 H6 119.6 . . ?
C15 C16 N7 121.2(4) . . ?
C17 C16 N7 119.8(4) . . ?
C17 C16 C15 119.0(4) . . ?
C23 C22 N6 120.3(5) . . ?
C27 C22 N6 119.8(5) . . ?
C27 C22 C23 119.9(5) . . ?
N3 C11 H11 125.3 . . ?
C12 C11 N3 109.5(4) . . ?
C12 C11 H11 125.3 . . ?
C24 C25 N7 120.0(4) . . ?
C26 C25 N7 121.3(4) . . ?
C26 C25 C24 118.7(4) . . ?
C4 C5 H5 119.7 . . ?
C6 C5 C4 120.5(4) . . ?
C6 C5 H5 119.7 . . ?
C25 C24 H24 119.5 . . ?
C25 C24 C23 121.0(5) . . ?
C23 C24 H24 119.5 . . ?
C13 C18 H18 120.8 . . ?
C17 C18 C13 118.4(4) . . ?
C17 C18 H18 120.8 . . ?
N6 C19 H19 124.6 . . ?
N5 C19 N6 110.8(5) . . ?
N5 C19 H19 124.6 . . ?
C4 C9 H9 120.1 . . ?
C4 C9 C8 119.7(4) . . ?
C8 C9 H9 120.1 . . ?
C16 C17 C18 121.5(4) . . ?
C16 C17 H17 119.3 . . ?
C18 C17 H17 119.3 . . ?
C7 C8 C9 121.0(4) . . ?
C7 C8 H8 119.5 . . ?
C9 C8 H8 119.5 . . ?
N2 C1 H1 124.3 . . ?
N1 C1 N2 111.4(4) . . ?
N1 C1 H1 124.3 . . ?
C22 C23 C24 119.3(5) . . ?
C22 C23 H23 120.4 . . ?
C24 C23 H23 120.4 . . ?
N1 C2 H2 125.2 . . ?
C3 C2 N1 109.7(5) . . ?
C3 C2 H2 125.2 . . ?
N2 C3 H3 126.4 . . ?
C2 C3 N2 107.3(5) . . ?
C2 C3 H3 126.4 . . ?
C22 C27 H27 119.9 . . ?
C22 C27 C26 120.1(5) . . ?
C26 C27 H27 119.9 . . ?
C25 C26 C27 120.9(5) . . ?
C25 C26 H26 119.5 . . ?
C27 C26 H26 119.5 . . ?
N6 C21 H21 127.2 . . ?
N6 C21 C20 105.6(6) . . ?
C20 C21 H21 127.2 . . ?
N5 C20 C21 111.1(6) . . ?
N5 C20 H20 124.5 . . ?
C21 C20 H20 124.5 . . ?
O2 N8 O2 180.0 . 5_666 ?
O2 N8 O1 64.9(9) . . ?
O2 N8 O1 115.1(9) 5_666 . ?
O2 N8 O1 64.9(9) 5_666 5_666 ?
O2 N8 O1 115.1(9) . 5_666 ?
O2 N8 O3 140.7(7) . 5_666 ?
O2 N8 O3 140.7(7) 5_666 . ?
O2 N8 O3 39.3(7) . . ?
O2 N8 O3 39.3(7) 5_666 5_666 ?
O1 N8 O1 180.0 . 5_666 ?
O3 N8 O1 104.1(9) 5_666 5_666 ?
O3 N8 O1 75.9(9) 5_666 . ?
O3 N8 O1 104.1(9) . . ?
O3 N8 O1 75.9(9) . 5_666 ?
O3 N8 O3 180.0 5_666 . ?
N8 O1 O3 46.4(8) . 5_666 ?
N8 O3 O1 57.7(10) . 5_666 ?

_platon_squeeze_details          ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.362 0.250 0.561 733 144 ' '
2 0.862 0.250 0.427 733 145 ' '
3 0.138 0.750 0.922 734 145 ' '
4 0.638 0.750 0.058 734 144 ' '

_platon_squeeze_void_probe_radius 1.20

_olex2_submission_special_instructions 'No special instructions were received'
