# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_mo_sb28_0m
_database_code_depnum_ccdc_archive 'CCDC 2310987'
loop_
_audit_author_name
_audit_author_address
'Salvador Blasco'
;Universitat de Valencia
Spain
;
_audit_update_record             
;
2024-03-08 deposited with the CCDC.	2024-06-20 downloaded from the CCDC.
;
_audit_creation_date             2024-03-08
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.11.24 svn.r209d9fb for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'0.5(C56 H51 N16 O4 Re2), C28 H24 N8 O2 Re, 3(O4 Re), 2.238(O)'
_chemical_formula_sum            'C56 H49.50 N16 O18.24 Re5'
_chemical_formula_weight         2169.41
_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'
Re Re -1.0185 7.2310 '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      tetragonal
_space_group_IT_number           128
_space_group_name_H-M_alt        'P 4/m n c'
_space_group_name_Hall           '-P 4 2n'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-y, x, z'
'y, -x, z'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'y+1/2, x+1/2, -z+1/2'
'-y+1/2, -x+1/2, -z+1/2'
'-x, -y, -z'
'x, y, -z'
'y, -x, -z'
'-y, x, -z'
'x-1/2, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z-1/2'
'-y-1/2, -x-1/2, z-1/2'
'y-1/2, x-1/2, z-1/2'

_cell_length_a                   15.974(3)
_cell_length_b                   15.974(3)
_cell_length_c                   27.244(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     6952(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    135
_cell_measurement_temperature    150.00
_cell_measurement_theta_max      31.03455
_cell_measurement_theta_min      6.5093
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    8.750
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6350
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016) was used for absorption correction.
wR2(int) was 0.0816 before and 0.0608 after correction.
The Ratio of minimum to maximum transmissel selsion is 0.8517.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.073
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4074
_exptl_crystal_size_max          0.119
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.059
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0597
_diffrn_reflns_av_unetI/netI     0.0176
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            97620
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.991
_diffrn_reflns_theta_min         2.342
_diffrn_ambient_temperature      150.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3010
_reflns_number_total             3501
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.474
_refine_diff_density_min         -3.246
_refine_diff_density_rms         0.244
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.155
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     254
_refine_ls_number_reflns         3501
_refine_ls_number_restraints     51
_refine_ls_R_factor_all          0.0681
_refine_ls_R_factor_gt           0.0584
_refine_ls_restrained_S_all      1.155
_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)+(0.0595P)²+151.8831P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1556
_refine_ls_wR_factor_ref         0.1637
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
2. Restrained distances
 O11-O12 \\sim O11-O10 \\sim O11-O11_$1 \\sim O10-O12 \\sim O10-O11_$1 \\sim
O12-O11_$1
 with sigma of 0.02
 Re4-O10 \\sim Re4-O12 \\sim Re4-O11 \\sim Re4-O11_$1
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(O8) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O10) \\sim Ueq, Uanis(O11) \\sim Ueq, Uanis(O12) \\sim Ueq: with sigma of
0.03 and sigma for terminal atoms of 0.06
Uanis(O9) \\sim Ueq: with sigma of 0.002 and sigma for terminal atoms of 0.004
4. Others
 Sof(O9)=1-FVAR(1)
 Sof(O8)=0.5*FVAR(2)
 Fixed Sof: Re4(0.25) O12(0.25) O11(0.5) O10(0.25)
5.a Aromatic/amide H refined with riding coordinates:
 N2(H2), N4(H4A), C6(H6), C1(H1), C5(H5), C10(H10), C8(H8), C4(H4), C3(H3),
 C13(H13), C12(H12), C11(H11)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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
Re1 Re 0.500000 0.500000 0.88578(3) 0.0271(2) Uani 1 4 d S T P . .
Re2 Re 0.500000 0.500000 0.65053(3) 0.0390(3) Uani 1 4 d S T P . .
N1 N 0.6245(5) 0.5442(5) 0.8870(3) 0.0316(18) Uani 1 1 d . . . . .
N3 N 0.6244(6) 0.4552(6) 0.6476(3) 0.040(2) Uani 1 1 d . . . . .
N2 N 0.7570(6) 0.5557(7) 0.9094(4) 0.046(2) Uani 1 1 d . . . . .
H2 H 0.804147 0.544870 0.924906 0.055 Uiso 1 1 calc R U . . .
N4 N 0.7367(8) 0.3942(7) 0.6168(4) 0.054(3) Uani 1 1 d . . . . .
H4A H 0.767682 0.363116 0.597199 0.065 Uiso 1 1 calc R U . . .
C7 C 0.6611(6) 0.6093(6) 0.8600(4) 0.030(2) Uani 1 1 d . . . . .
C6 C 0.6279(7) 0.6614(6) 0.8235(4) 0.032(2) Uani 1 1 d . . . . .
H6 H 0.571557 0.655994 0.812756 0.039 Uiso 1 1 calc R U . . .
C1 C 0.6835(7) 0.5155(7) 0.9154(4) 0.042(3) Uani 1 1 d . . . . .
H1 H 0.675464 0.470914 0.938016 0.051 Uiso 1 1 calc R U . . .
C2 C 0.7447(7) 0.6169(7) 0.8744(4) 0.038(2) Uani 1 1 d . . . . .
C9 C 0.6934(7) 0.4758(6) 0.6774(4) 0.035(2) Uani 1 1 d . . . . .
C5 C 0.6802(8) 0.7200(8) 0.8042(5) 0.044(3) Uani 1 1 d . . . . .
H5 H 0.658973 0.757547 0.780179 0.052 Uiso 1 1 calc R U . . .
C10 C 0.6987(8) 0.5231(7) 0.7201(4) 0.042(3) Uani 1 1 d . . . . .
H10 H 0.650520 0.548768 0.733961 0.051 Uiso 1 1 calc R U . . .
C8 C 0.6557(9) 0.4072(9) 0.6127(4) 0.052(3) Uani 1 1 d . . . . .
H8 H 0.622741 0.384222 0.586971 0.062 Uiso 1 1 calc R U . . .
C14 C 0.7645(8) 0.4382(7) 0.6574(4) 0.042(3) Uani 1 1 d . . . . .
C4 C 0.7647(8) 0.7272(8) 0.8186(5) 0.048(3) Uani 1 1 d . . . . .
H4 H 0.799009 0.768571 0.803730 0.058 Uiso 1 1 calc R U . . .
C3 C 0.7978(7) 0.6760(8) 0.8532(5) 0.046(3) Uani 1 1 d . . . . .
H3 H 0.854846 0.680258 0.862647 0.055 Uiso 1 1 calc R U . . .
C13 C 0.8422(8) 0.4457(8) 0.6790(6) 0.055(3) Uani 1 1 d . . . . .
H13 H 0.891066 0.419861 0.666169 0.066 Uiso 1 1 calc R U . . .
C12 C 0.8429(10) 0.4945(8) 0.7212(6) 0.066(4) Uani 1 1 d . . . . .
H12 H 0.895143 0.502599 0.737130 0.079 Uiso 1 1 calc R U . . .
C11 C 0.7749(9) 0.5313(7) 0.7414(5) 0.049(3) Uani 1 1 d . . . . .
H11 H 0.780590 0.563138 0.770628 0.059 Uiso 1 1 calc R U . . .
Re3 Re 0.69374(5) 0.73705(6) 1.000000 0.0553(3) Uani 1 2 d S T P . .
O2 O 0.500000 0.500000 0.8208(6) 0.038(3) Uani 1 4 d S T P . .
O4 O 0.500000 0.500000 0.5870(9) 0.071(6) Uani 1 4 d S T P . .
O1 O 0.500000 0.500000 0.9515(7) 0.040(4) Uani 1 4 d S T P . .
O3 O 0.500000 0.500000 0.7146(7) 0.045(4) Uani 1 4 d S T P . .
Re4 Re 0.98351(12) 0.75765(19) 1.000000 0.0836(7) Uani 0.5 2 d DS T P . .
O7 O 0.6312(9) 0.6507(9) 1.000000 0.061(3) Uani 1 2 d S T P . .
O5 O 0.6709(9) 0.7947(8) 0.9480(4) 0.095(4) Uani 1 1 d . . . . .
O6 O 0.7952(10) 0.6939(18) 1.000000 0.128(9) Uani 1 2 d S T P . .
O8 O 0.9212(15) 0.535(2) 0.9449(10) 0.091(9) Uani 0.441(8) 1 d . U P A 1
O12 O 1.0845(16) 0.799(2) 1.000000 0.090(11) Uani 0.5 2 d DS TU P . .
O11 O 0.9683(15) 0.6986(14) 1.0518(7) 0.21(2) Uani 0.5 1 d D U P . .
O9 O 0.869(2) 0.505(2) 1.000000 0.014(11) Uani 0.24(3) 2 d S TU P A 2
O10 O 0.914(2) 0.842(2) 1.000000 0.27(4) Uani 0.5 2 d DS TU P . .
H1A H 0.500000 0.500000 1.000000 0.02(7) Uiso 1 8 d S . P . .
H2A H 0.500000 0.500000 0.780(9) 0.04(6) Uiso 1 4 d S . P . .


_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
Re1 N1 2.111(9) 2_665 ?
Re1 N1 2.111(9) . ?
Re1 N1 2.111(9) 4_565 ?
Re1 N1 2.111(9) 3_655 ?
Re1 O2 1.770(17) . ?
Re1 O1 1.791(18) . ?
Re2 N3 2.114(10) 3_655 ?
Re2 N3 2.114(10) 2_665 ?
Re2 N3 2.114(10) 4_565 ?
Re2 N3 2.114(10) . ?
Re2 O4 1.73(3) . ?
Re2 O3 1.745(19) . ?
N1 C7 1.401(14) . ?
N1 C1 1.303(14) . ?
N3 C9 1.406(15) . ?
N3 C8 1.321(15) . ?
N2 H2 0.8800 . ?
N2 C1 1.349(16) . ?
N2 C2 1.380(15) . ?
N4 H4A 0.8800 . ?
N4 C8 1.316(18) . ?
N4 C14 1.384(16) . ?
C7 C6 1.401(15) . ?
C7 C2 1.396(14) . ?
C6 H6 0.9500 . ?
C6 C5 1.361(16) . ?
C1 H1 0.9500 . ?
C2 C3 1.395(17) . ?
C9 C10 1.391(16) . ?
C9 C14 1.395(16) . ?
C5 H5 0.9500 . ?
C5 C4 1.410(18) . ?
C10 H10 0.9500 . ?
C10 C11 1.354(18) . ?
C8 H8 0.9500 . ?
C14 C13 1.380(18) . ?
C4 H4 0.9500 . ?
C4 C3 1.355(19) . ?
C3 H3 0.9500 . ?
C13 H13 0.9500 . ?
C13 C12 1.39(2) . ?
C12 H12 0.9500 . ?
C12 C11 1.35(2) . ?
C11 H11 0.9500 . ?
Re3 O7 1.702(14) . ?
Re3 O5 1.729(11) . ?
Re3 O5 1.729(11) 10_557 ?
Re3 O6 1.76(2) . ?
O2 H2A 1.1(3) . ?
O1 H1A 1.321(18) . ?
Re4 O12 1.74(2) . ?
Re4 O11 1.71(2) . ?
Re4 O11 1.71(2) 10_557 ?
Re4 O10 1.74(3) . ?

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 Re1 N1 89.986(10) 2_665 4_565 ?
N1 Re1 N1 89.988(10) 3_655 . ?
N1 Re1 N1 89.984(9) 4_565 . ?
N1 Re1 N1 89.986(8) 2_665 3_655 ?
N1 Re1 N1 178.2(5) 2_665 . ?
N1 Re1 N1 178.2(5) 4_565 3_655 ?
O2 Re1 N1 90.9(2) . 3_655 ?
O2 Re1 N1 90.9(2) . 4_565 ?
O2 Re1 N1 90.9(2) . 2_665 ?
O2 Re1 N1 90.9(2) . . ?
O2 Re1 O1 180.0 . . ?
O1 Re1 N1 89.1(2) . 4_565 ?
O1 Re1 N1 89.1(2) . . ?
O1 Re1 N1 89.1(2) . 3_655 ?
O1 Re1 N1 89.1(2) . 2_665 ?
N3 Re2 N3 89.92(2) . 4_565 ?
N3 Re2 N3 89.921(19) 3_655 2_665 ?
N3 Re2 N3 89.92(2) 4_565 2_665 ?
N3 Re2 N3 175.7(5) 4_565 3_655 ?
N3 Re2 N3 175.7(5) . 2_665 ?
N3 Re2 N3 89.92(2) . 3_655 ?
O4 Re2 N3 87.9(3) . 3_655 ?
O4 Re2 N3 87.9(3) . 2_665 ?
O4 Re2 N3 87.9(3) . . ?
O4 Re2 N3 87.9(3) . 4_565 ?
O4 Re2 O3 180.0 . . ?
O3 Re2 N3 92.1(3) . 4_565 ?
O3 Re2 N3 92.1(3) . 2_665 ?
O3 Re2 N3 92.1(3) . . ?
O3 Re2 N3 92.1(3) . 3_655 ?
C7 N1 Re1 129.3(7) . . ?
C1 N1 Re1 124.9(8) . . ?
C1 N1 C7 105.8(9) . . ?
C9 N3 Re2 129.5(7) . . ?
C8 N3 Re2 125.4(9) . . ?
C8 N3 C9 104.8(10) . . ?
C1 N2 H2 126.4 . . ?
C1 N2 C2 107.2(9) . . ?
C2 N2 H2 126.4 . . ?
C8 N4 H4A 126.2 . . ?
C8 N4 C14 107.6(11) . . ?
C14 N4 H4A 126.2 . . ?
C6 C7 N1 130.9(9) . . ?
C2 C7 N1 108.4(9) . . ?
C2 C7 C6 120.7(10) . . ?
C7 C6 H6 121.6 . . ?
C5 C6 C7 116.7(10) . . ?
C5 C6 H6 121.6 . . ?
N1 C1 N2 112.9(11) . . ?
N1 C1 H1 123.5 . . ?
N2 C1 H1 123.5 . . ?
N2 C2 C7 105.7(10) . . ?
N2 C2 C3 132.8(11) . . ?
C3 C2 C7 121.5(11) . . ?
C10 C9 N3 131.1(11) . . ?
C10 C9 C14 120.7(11) . . ?
C14 C9 N3 108.2(9) . . ?
C6 C5 H5 118.8 . . ?
C6 C5 C4 122.4(12) . . ?
C4 C5 H5 118.8 . . ?
C9 C10 H10 121.1 . . ?
C11 C10 C9 117.7(12) . . ?
C11 C10 H10 121.1 . . ?
N3 C8 H8 123.1 . . ?
N4 C8 N3 113.8(11) . . ?
N4 C8 H8 123.1 . . ?
N4 C14 C9 105.7(11) . . ?
C13 C14 N4 132.4(12) . . ?
C13 C14 C9 121.9(11) . . ?
C5 C4 H4 119.4 . . ?
C3 C4 C5 121.2(12) . . ?
C3 C4 H4 119.4 . . ?
C2 C3 H3 121.3 . . ?
C4 C3 C2 117.4(11) . . ?
C4 C3 H3 121.3 . . ?
C14 C13 H13 122.9 . . ?
C14 C13 C12 114.2(13) . . ?
C12 C13 H13 122.9 . . ?
C13 C12 H12 117.5 . . ?
C11 C12 C13 125.1(14) . . ?
C11 C12 H12 117.5 . . ?
C10 C11 H11 119.8 . . ?
C12 C11 C10 120.4(13) . . ?
C12 C11 H11 119.8 . . ?
O7 Re3 O5 107.9(5) . . ?
O7 Re3 O5 107.9(5) . 10_557 ?
O7 Re3 O6 102.9(10) . . ?
O5 Re3 O5 110.1(10) . 10_557 ?
O5 Re3 O6 113.7(7) . . ?
O5 Re3 O6 113.7(7) 10_557 . ?
Re1 O2 H2A 180.00(10) . . ?
Re1 O1 H1A 180.0 . . ?
O11 Re4 O12 109.8(6) . . ?
O11 Re4 O12 109.8(6) 10_557 . ?
O11 Re4 O11 110.8(10) 10_557 . ?
O11 Re4 O10 109.5(6) . . ?
O11 Re4 O10 109.5(6) 10_557 . ?
O10 Re4 O12 107.5(10) . . ?

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
Re1 N1 C7 C6 -2.8(16) . . . . ?
Re1 N1 C7 C2 178.3(7) . . . . ?
Re1 N1 C1 N2 -179.0(7) . . . . ?
Re2 N3 C9 C10 8.4(17) . . . . ?
Re2 N3 C9 C14 -172.6(8) . . . . ?
Re2 N3 C8 N4 174.0(9) . . . . ?
N1 C7 C6 C5 179.6(10) . . . . ?
N1 C7 C2 N2 0.6(12) . . . . ?
N1 C7 C2 C3 179.0(10) . . . . ?
N3 C9 C10 C11 179.1(11) . . . . ?
N3 C9 C14 N4 -1.3(13) . . . . ?
N3 C9 C14 C13 -178.9(11) . . . . ?
N2 C2 C3 C4 179.1(12) . . . . ?
N4 C14 C13 C12 -177.7(14) . . . . ?
C7 N1 C1 N2 -0.5(13) . . . . ?
C7 C6 C5 C4 2.1(17) . . . . ?
C7 C2 C3 C4 1.2(18) . . . . ?
C6 C7 C2 N2 -178.4(9) . . . . ?
C6 C7 C2 C3 0.0(17) . . . . ?
C6 C5 C4 C3 -0.9(19) . . . . ?
C1 N1 C7 C6 178.8(11) . . . . ?
C1 N1 C7 C2 -0.1(12) . . . . ?
C1 N2 C2 C7 -0.9(13) . . . . ?
C1 N2 C2 C3 -179.0(13) . . . . ?
C2 N2 C1 N1 0.9(14) . . . . ?
C2 C7 C6 C5 -1.6(15) . . . . ?
C9 N3 C8 N4 0.4(15) . . . . ?
C9 C10 C11 C12 0.1(18) . . . . ?
C9 C14 C13 C12 -0.9(19) . . . . ?
C5 C4 C3 C2 -0.8(18) . . . . ?
C10 C9 C14 N4 177.8(10) . . . . ?
C10 C9 C14 C13 0.3(18) . . . . ?
C8 N3 C9 C10 -178.4(12) . . . . ?
C8 N3 C9 C14 0.6(13) . . . . ?
C8 N4 C14 C9 1.5(14) . . . . ?
C8 N4 C14 C13 178.7(15) . . . . ?
C14 N4 C8 N3 -1.3(17) . . . . ?
C14 C9 C10 C11 0.2(16) . . . . ?
C14 C13 C12 C11 1(2) . . . . ?
C13 C12 C11 C10 -1(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_vrf_PLAT305_mo_sb28_0m          
;
PROBLEM: Isolated Hydrogen Atom   (Outside Bond Range ??)        H1A Check 
RESPONSE: This H atom is delocalised between neighbor oxygen atoms. 
 See B\~A)langer et al. Can. J. Chem. 1997, 75, 37-45
;
_vrf_PLAT430_mo_sb28_0m          
;
PROBLEM: Short Inter D...A Contact  O10      ..O12      .       2.13 Ang.  
RESPONSE: Both atoms are highly disordered. The contact distance contains
 a lot of error.
;
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
