# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2021

####################################################################### 
# 
# 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_16ooa2_0m
_database_code_depnum_ccdc_archive 'CCDC 1988717'
loop_
_audit_author_name
_audit_author_address
'Alexander Orbett T.'
;University of the Free Sate
South Africa
;
_audit_update_record             
;
2020-11-27 deposited with the CCDC.	2020-12-17 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT910_16ooa2_0m           
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         20 Note
RESPONSE: 20 reflections that are below Theta (min) value have been omitted from the refinement. The FCF reflections are caused by partial obscurity of the beam stop and due to overflow reflections which are not automatically excluded by the Bruker APEX II software. Sufficient unique reflections were obtained to yield a fully refined structure with 99.5 %  data completeness. 
;
# Added during the CSD deposition process: Friday 27 November 2020 04:08 AM
# end Validation Reply Form

# end Validation Reply Form
_audit_creation_date             2020-03-06
_audit_creation_method           
;
Olex2 1.3
(compiled Nov 21 2019 18:26:39 for OlexSys, GUI svn.r6003)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C36 H24 Cl2 In2 N4 O4, C7 H8'
_chemical_formula_sum            'C43 H32 Cl2 In2 N4 O4'
_chemical_formula_weight         969.26
_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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
In In -0.7276 1.3100 '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'

_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           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   22.159(3)
_cell_length_b                   10.5890(16)
_cell_length_c                   16.176(2)
_cell_angle_alpha                90
_cell_angle_beta                 95.464(5)
_cell_angle_gamma                90
_cell_volume                     3778.3(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9862
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.27
_cell_measurement_theta_min      3.85
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.412
_exptl_absorpt_correction_T_max  0.863
_exptl_absorpt_correction_T_min  0.640
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS (Bruker, 2004)
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.704
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       cuboid
_exptl_crystal_F_000             1928
_exptl_crystal_size_max          0.323
_exptl_crystal_size_mid          0.285
_exptl_crystal_size_min          0.104
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0333
_diffrn_reflns_av_unetI/netI     0.0196
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            36652
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         28.000
_diffrn_reflns_theta_min         4.403
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.995
_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           30.0
_diffrn_source_power             1.5
_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                4009
_reflns_number_total             4536
_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 v8.34A (Bruker, 2013)'
_computing_data_collection       'BRUKER APEX II'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2017/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.682
_refine_diff_density_min         -0.578
_refine_diff_density_rms         0.070
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     251
_refine_ls_number_reflns         4536
_refine_ls_number_restraints     30
_refine_ls_R_factor_all          0.0266
_refine_ls_R_factor_gt           0.0210
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0193P)²+6.3441P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0473
_refine_ls_wR_factor_ref         0.0498
_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. Rigid body (RIGU) restrains
 In1, O1, C8, C9, N1
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
3. Others
 Fixed Sof: H1TA(0.5) H1TB(0.5) H1TC(0.5)
4.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C5(H5), C6(H6), C7(H7), C11(H11), C12(H12), C13(H13),
 C15(H15), C16(H16), C17(H17), C3T(H3T), C4T(H4T), C5T(H5T)
4.b Idealised Me refined as rotating group:
 C1T(H1TA,H1TB,H1TC)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
In1 In 0.80574(2) 0.66670(2) 0.56562(2) 0.01461(5) Uani 1 1 d . . . . .
Cl1 Cl 0.82038(2) 0.81912(4) 0.67653(3) 0.02377(10) Uani 1 1 d . . . . .
O1 O 0.81285(6) 0.50905(13) 0.64604(7) 0.0214(3) Uani 1 1 d . . . . .
O2 O 0.70814(6) 0.70073(12) 0.53965(8) 0.0170(3) Uani 1 1 d . . . . .
N1 N 0.80573(7) 0.50161(15) 0.47767(9) 0.0181(3) Uani 1 1 d . . . . .
N2 N 0.60117(7) 0.80072(15) 0.47816(9) 0.0193(3) Uani 1 1 d . . . . .
C1 C 0.80264(8) 0.50056(19) 0.39618(11) 0.0213(4) Uani 1 1 d . . . . .
H1 H 0.795915 0.576291 0.367670 0.026 Uiso 1 1 calc R U . . .
C2 C 0.80908(9) 0.3897(2) 0.35061(12) 0.0245(4) Uani 1 1 d . . . . .
H2 H 0.806377 0.391812 0.292895 0.029 Uiso 1 1 calc R U . . .
C3 C 0.81942(9) 0.2782(2) 0.39255(12) 0.0245(4) Uani 1 1 d . . . . .
H3 H 0.824053 0.204028 0.362990 0.029 Uiso 1 1 calc R U . . .
C4 C 0.82313(8) 0.27462(18) 0.47995(12) 0.0211(4) Uani 1 1 d . . . . .
C5 C 0.83274(9) 0.16400(19) 0.52880(13) 0.0257(4) Uani 1 1 d . . . . .
H5 H 0.837604 0.086308 0.503453 0.031 Uiso 1 1 calc R U . . .
C6 C 0.83481(9) 0.17216(19) 0.61329(13) 0.0269(4) Uani 1 1 d . . . . .
H6 H 0.840586 0.098922 0.644777 0.032 Uiso 1 1 calc R U . . .
C7 C 0.82844(9) 0.28841(19) 0.65423(12) 0.0237(4) Uani 1 1 d . . . . .
H7 H 0.830495 0.289733 0.711920 0.028 Uiso 1 1 calc R U . . .
C8 C 0.81917(8) 0.40108(19) 0.61064(11) 0.0202(4) Uani 1 1 d . . . . .
C9 C 0.81628(8) 0.39158(18) 0.52121(11) 0.0180(4) Uani 1 1 d . . . . .
C11 C 0.54961(9) 0.8545(2) 0.44860(12) 0.0257(4) Uani 1 1 d . . . . .
H11 H 0.550065 0.911781 0.405103 0.031 Uiso 1 1 calc R U . . .
C12 C 0.49430(10) 0.8280(2) 0.48064(14) 0.0318(5) Uani 1 1 d . . . . .
H12 H 0.458737 0.866700 0.458401 0.038 Uiso 1 1 calc R U . . .
C13 C 0.49340(10) 0.7449(2) 0.54458(13) 0.0322(5) Uani 1 1 d . . . . .
H13 H 0.456933 0.726184 0.565938 0.039 Uiso 1 1 calc R U . . .
C14 C 0.54777(9) 0.6867(2) 0.57893(12) 0.0242(4) Uani 1 1 d . . . . .
C15 C 0.55094(10) 0.6010(2) 0.64613(13) 0.0302(5) Uani 1 1 d . . . . .
H15 H 0.515795 0.577056 0.669182 0.036 Uiso 1 1 calc R U . . .
C16 C 0.60579(10) 0.5534(2) 0.67720(12) 0.0266(4) Uani 1 1 d . . . . .
H16 H 0.607451 0.497842 0.721898 0.032 Uiso 1 1 calc R U . . .
C17 C 0.65995(9) 0.58628(18) 0.64324(11) 0.0200(4) Uani 1 1 d . . . . .
H17 H 0.696707 0.553408 0.666192 0.024 Uiso 1 1 calc R U . . .
C18 C 0.65866(8) 0.66698(17) 0.57616(11) 0.0166(3) Uani 1 1 d . . . . .
C19 C 0.60152(9) 0.71869(18) 0.54355(11) 0.0184(4) Uani 1 1 d . . . . .
C1T C 0.500000 0.6940(4) 0.250000 0.0591(11) Uani 1 2 d S T P . .
H1TA H 0.507178 0.663739 0.195846 0.089 Uiso 0.5 1 calc R U P A -1
H1TB H 0.461424 0.663739 0.264036 0.089 Uiso 0.5 1 calc R U P A -1
H1TC H 0.531397 0.663739 0.290118 0.089 Uiso 0.5 1 calc R U P A -1
C2T C 0.500000 0.8361(3) 0.250000 0.0293(6) Uani 1 2 d S T P . .
C3T C 0.55052(10) 0.9026(2) 0.23070(13) 0.0331(5) Uani 1 1 d . . . . .
H3T H 0.584900 0.859026 0.217997 0.040 Uiso 1 1 calc R U . . .
C4T C 0.55042(12) 1.0318(3) 0.23012(15) 0.0432(6) Uani 1 1 d . . . . .
H4T H 0.584445 1.075541 0.216279 0.052 Uiso 1 1 calc R U . . .
C5T C 0.500000 1.0975(4) 0.250000 0.0513(10) Uani 1 2 d S T P . .
H5T H 0.500000 1.185290 0.249999 0.062 Uiso 1 2 calc R U 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
In1 Cl1 2.4121(5) . ?
In1 O1 2.1131(13) . ?
In1 O2 2.1933(13) . ?
In1 O2 2.2057(12) 7_666 ?
In1 N1 2.2538(16) . ?
In1 N2 2.2701(16) 7_666 ?
O1 C8 1.292(2) . ?
O2 C18 1.342(2) . ?
N1 C1 1.313(2) . ?
N1 C9 1.370(2) . ?
N2 C11 1.324(3) . ?
N2 C19 1.368(2) . ?
C1 H1 0.9300 . ?
C1 C2 1.400(3) . ?
C2 H2 0.9300 . ?
C2 C3 1.371(3) . ?
C3 H3 0.9300 . ?
C3 C4 1.409(3) . ?
C4 C5 1.418(3) . ?
C4 C9 1.422(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.366(3) . ?
C6 H6 0.9300 . ?
C6 C7 1.411(3) . ?
C7 H7 0.9300 . ?
C7 C8 1.391(3) . ?
C8 C9 1.446(3) . ?
C11 H11 0.9300 . ?
C11 C12 1.404(3) . ?
C12 H12 0.9300 . ?
C12 C13 1.359(3) . ?
C13 H13 0.9300 . ?
C13 C14 1.419(3) . ?
C14 C15 1.412(3) . ?
C14 C19 1.411(3) . ?
C15 H15 0.9300 . ?
C15 C16 1.367(3) . ?
C16 H16 0.9300 . ?
C16 C17 1.410(3) . ?
C17 H17 0.9300 . ?
C17 C18 1.379(3) . ?
C18 C19 1.433(3) . ?
C1T H1TA 0.9600 . ?
C1T H1TB 0.9600 . ?
C1T H1TC 0.9600 . ?
C1T C2T 1.505(5) . ?
C2T C3T 1.383(3) 2_655 ?
C2T C3T 1.383(3) . ?
C3T H3T 0.9300 . ?
C3T C4T 1.369(4) . ?
C4T H4T 0.9300 . ?
C4T C5T 1.380(3) . ?
C5T H5T 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 In1 Cl1 94.24(4) . . ?
O1 In1 O2 167.12(5) . 7_666 ?
O1 In1 O2 105.19(5) . . ?
O1 In1 N1 76.78(5) . . ?
O1 In1 N2 107.18(5) . 7_666 ?
O2 In1 Cl1 98.47(4) 7_666 . ?
O2 In1 Cl1 95.33(4) . . ?
O2 In1 O2 71.65(5) . 7_666 ?
O2 In1 N1 90.84(5) 7_666 . ?
O2 In1 N1 93.77(5) . . ?
O2 In1 N2 145.49(5) . 7_666 ?
O2 In1 N2 74.12(5) 7_666 7_666 ?
N1 In1 Cl1 168.63(4) . . ?
N1 In1 N2 82.33(6) . 7_666 ?
N2 In1 Cl1 93.92(4) 7_666 . ?
C8 O1 In1 115.53(11) . . ?
In1 O2 In1 108.35(5) . 7_666 ?
C18 O2 In1 116.71(11) . 7_666 ?
C18 O2 In1 134.73(11) . . ?
C1 N1 In1 129.56(13) . . ?
C1 N1 C9 119.92(16) . . ?
C9 N1 In1 110.21(11) . . ?
C11 N2 In1 126.90(13) . 7_666 ?
C11 N2 C19 119.55(17) . . ?
C19 N2 In1 113.53(12) . 7_666 ?
N1 C1 H1 118.8 . . ?
N1 C1 C2 122.50(18) . . ?
C2 C1 H1 118.8 . . ?
C1 C2 H2 120.6 . . ?
C3 C2 C1 118.83(18) . . ?
C3 C2 H2 120.6 . . ?
C2 C3 H3 119.6 . . ?
C2 C3 C4 120.71(18) . . ?
C4 C3 H3 119.6 . . ?
C3 C4 C5 124.94(18) . . ?
C3 C4 C9 116.69(18) . . ?
C5 C4 C9 118.37(17) . . ?
C4 C5 H5 120.2 . . ?
C6 C5 C4 119.63(18) . . ?
C6 C5 H5 120.2 . . ?
C5 C6 H6 119.0 . . ?
C5 C6 C7 121.97(19) . . ?
C7 C6 H6 119.0 . . ?
C6 C7 H7 119.1 . . ?
C8 C7 C6 121.78(18) . . ?
C8 C7 H7 119.1 . . ?
O1 C8 C7 123.45(17) . . ?
O1 C8 C9 120.58(17) . . ?
C7 C8 C9 115.97(18) . . ?
N1 C9 C4 121.34(16) . . ?
N1 C9 C8 116.38(16) . . ?
C4 C9 C8 122.27(17) . . ?
N2 C11 H11 118.9 . . ?
N2 C11 C12 122.30(19) . . ?
C12 C11 H11 118.9 . . ?
C11 C12 H12 120.4 . . ?
C13 C12 C11 119.14(19) . . ?
C13 C12 H12 120.4 . . ?
C12 C13 H13 119.8 . . ?
C12 C13 C14 120.39(19) . . ?
C14 C13 H13 119.8 . . ?
C15 C14 C13 123.97(19) . . ?
C19 C14 C13 117.05(18) . . ?
C19 C14 C15 118.98(18) . . ?
C14 C15 H15 120.1 . . ?
C16 C15 C14 119.82(19) . . ?
C16 C15 H15 120.1 . . ?
C15 C16 H16 119.1 . . ?
C15 C16 C17 121.71(18) . . ?
C17 C16 H16 119.1 . . ?
C16 C17 H17 119.8 . . ?
C18 C17 C16 120.33(18) . . ?
C18 C17 H17 119.8 . . ?
O2 C18 C17 123.68(17) . . ?
O2 C18 C19 117.80(16) . . ?
C17 C18 C19 118.52(17) . . ?
N2 C19 C14 121.55(17) . . ?
N2 C19 C18 117.83(16) . . ?
C14 C19 C18 120.61(17) . . ?
H1TA C1T H1TB 109.5 . . ?
H1TA C1T H1TC 109.5 . . ?
H1TB C1T H1TC 109.5 . . ?
C2T C1T H1TA 109.5 . . ?
C2T C1T H1TB 109.5 . . ?
C2T C1T H1TC 109.5 . . ?
C3T C2T C1T 120.60(15) 2_655 . ?
C3T C2T C1T 120.60(15) . . ?
C3T C2T C3T 118.8(3) . 2_655 ?
C2T C3T H3T 119.7 . . ?
C4T C3T C2T 120.6(2) . . ?
C4T C3T H3T 119.7 . . ?
C3T C4T H4T 119.9 . . ?
C3T C4T C5T 120.2(3) . . ?
C5T C4T H4T 119.9 . . ?
C4T C5T C4T 119.5(3) . 2_655 ?
C4T C5T H5T 120.2 2_655 . ?
C4T C5T H5T 120.2 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
In1 O1 C8 C7 175.72(15) . . . . ?
In1 O1 C8 C9 -4.9(2) . . . . ?
In1 O2 C18 C17 -179.15(14) 7_666 . . . ?
In1 O2 C18 C17 -5.1(3) . . . . ?
In1 O2 C18 C19 0.5(2) 7_666 . . . ?
In1 O2 C18 C19 174.48(12) . . . . ?
In1 N1 C1 C2 173.62(14) . . . . ?
In1 N1 C9 C4 -175.15(14) . . . . ?
In1 N1 C9 C8 5.69(19) . . . . ?
In1 N2 C11 C12 -179.67(16) 7_666 . . . ?
In1 N2 C19 C14 -179.78(14) 7_666 . . . ?
In1 N2 C19 C18 1.0(2) 7_666 . . . ?
O1 C8 C9 N1 -1.0(3) . . . . ?
O1 C8 C9 C4 179.89(17) . . . . ?
O2 C18 C19 N2 -1.0(2) . . . . ?
O2 C18 C19 C14 179.78(17) . . . . ?
N1 C1 C2 C3 -0.5(3) . . . . ?
N2 C11 C12 C13 0.4(3) . . . . ?
C1 N1 C9 C4 -1.0(3) . . . . ?
C1 N1 C9 C8 179.84(16) . . . . ?
C1 C2 C3 C4 0.4(3) . . . . ?
C2 C3 C4 C5 178.99(19) . . . . ?
C2 C3 C4 C9 -0.7(3) . . . . ?
C3 C4 C5 C6 -179.26(19) . . . . ?
C3 C4 C9 N1 0.9(3) . . . . ?
C3 C4 C9 C8 -179.95(17) . . . . ?
C4 C5 C6 C7 -0.9(3) . . . . ?
C5 C4 C9 N1 -178.74(17) . . . . ?
C5 C4 C9 C8 0.4(3) . . . . ?
C5 C6 C7 C8 0.6(3) . . . . ?
C6 C7 C8 O1 179.63(18) . . . . ?
C6 C7 C8 C9 0.2(3) . . . . ?
C7 C8 C9 N1 178.50(16) . . . . ?
C7 C8 C9 C4 -0.7(3) . . . . ?
C9 N1 C1 C2 0.7(3) . . . . ?
C9 C4 C5 C6 0.4(3) . . . . ?
C11 N2 C19 C14 2.0(3) . . . . ?
C11 N2 C19 C18 -177.21(17) . . . . ?
C11 C12 C13 C14 0.5(3) . . . . ?
C12 C13 C14 C15 179.0(2) . . . . ?
C12 C13 C14 C19 -0.2(3) . . . . ?
C13 C14 C15 C16 -177.4(2) . . . . ?
C13 C14 C19 N2 -1.0(3) . . . . ?
C13 C14 C19 C18 178.15(19) . . . . ?
C14 C15 C16 C17 -0.8(3) . . . . ?
C15 C14 C19 N2 179.73(19) . . . . ?
C15 C14 C19 C18 -1.1(3) . . . . ?
C15 C16 C17 C18 -1.0(3) . . . . ?
C16 C17 C18 O2 -178.78(17) . . . . ?
C16 C17 C18 C19 1.6(3) . . . . ?
C17 C18 C19 N2 178.61(16) . . . . ?
C17 C18 C19 C14 -0.6(3) . . . . ?
C19 N2 C11 C12 -1.7(3) . . . . ?
C19 C14 C15 C16 1.8(3) . . . . ?
C1T C2T C3T C4T 179.54(16) . . . . ?
C2T C3T C4T C5T 0.9(3) . . . . ?
C3T C2T C3T C4T -0.46(16) 2_655 . . . ?
C3T C4T C5T C4T -0.45(16) . . . 2_655 ?

_olex2_submission_special_instructions 'No special instructions were received'
# start Validation Reply Form 
_vrf_PLAT910_I                   
;
PROBLEM:  Missing # of FCF Reflection(s) Below Theta(Min).
RESPONSE: 20 reflections that are below Theta (min) value
have been omitted from the refinement. The FCF reflections
are caused by partial obscurity of the beam stop and due
to overflow reflections which are not automatically excluded
by the Bruker APEX II software. Sufficient unique reflections
were obtained to yield a fully refined structure with 99.5 % 
data completeness.
;
